#------------------------------------------------------------------------------
#$Date: 2019-11-08 00:34:05 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224285 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/91/7049173.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_7049173
loop_
_publ_author_name
'Zhang, Ling'
'Chen, Peng'
'Li, Hong-Feng'
'Tian, Yong-Mei'
'Yan, Peng-Fei'
'Sun, Wen-Bin'
_publ_section_title
;
 From zero-dimensional to one-dimensional chain N-oxide bridged compounds
 with enhanced single-molecule magnetic performance.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4324
_journal_page_last               4332
_journal_paper_doi               10.1039/c9dt00210c
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C71 H47 Dy2 F18 N2 O14.5'
_chemical_formula_weight         1827.10
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-02-20 deposited with the CCDC.    2019-02-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 117.676(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.291(2)
_cell_length_b                   14.5614(16)
_cell_length_c                   23.223(2)
_cell_measurement_reflns_used    5070
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.8027
_cell_measurement_theta_min      2.9620
_cell_volume                     7274.4(14)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.841
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0616
_diffrn_reflns_av_unetI/netI     0.1617
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.841
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            25708
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.841
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.866
_diffrn_reflns_theta_min         2.968
_exptl_absorpt_coefficient_mu    2.149
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.32432
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'clear whiteish white'
_exptl_crystal_density_diffrn    1.668
_exptl_crystal_description       block
_exptl_crystal_F_000             3588
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.648
_refine_diff_density_min         -1.276
_refine_diff_density_rms         0.167
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     943
_refine_ls_number_reflns         16065
_refine_ls_number_restraints     166
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.2093
_refine_ls_R_factor_gt           0.1074
_refine_ls_shift/su_max          0.084
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1231P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2496
_refine_ls_wR_factor_ref         0.2997
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6893
_reflns_number_total             16065
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt00210c2.cif
_cod_data_source_block           2Dy
_cod_depositor_comments
'Adding full bibliography for 7049170--7049173.cif.'
_cod_original_formula_sum        'C71 H47 Dy2 F18 N2 O14.50'
_cod_database_code               7049173
_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Dy1 Dy 0.53429(3) 0.40612(5) 0.57412(3) 0.0577(2) Uani 1 1 d . .
Dy2 Dy 0.03250(3) 0.50888(5) 0.59874(4) 0.0651(3) Uani 1 1 d . .
O14 O 0.0553(3) 0.5004(6) 0.5096(4) 0.054(2) Uani 1 1 d . .
O4 O 0.5073(4) 0.4853(6) 0.6428(4) 0.058(2) Uani 1 1 d . .
O7 O 0.4499(3) 0.5055(6) 0.5044(4) 0.057(2) Uani 1 1 d . .
O5 O 0.4528(5) 0.3198(7) 0.5729(5) 0.071(3) Uani 1 1 d . .
O12 O -0.0379(4) 0.6084(6) 0.6104(5) 0.063(3) Uani 1 1 d . .
O11 O 0.1398(5) 0.5163(7) 0.6514(5) 0.082(3) Uani 1 1 d . .
N2 N 0.1146(4) 0.5001(7) 0.5164(4) 0.040(2) Uani 1 1 d . .
O13 O 0.0524(5) 0.6621(7) 0.5796(5) 0.080(3) Uani 1 1 d . .
O3 O 0.6149(4) 0.5041(8) 0.6344(5) 0.086(3) Uani 1 1 d . .
O1 O 0.6174(4) 0.3260(8) 0.5758(4) 0.079(3) Uani 1 1 d . .
O2 O 0.5816(4) 0.3299(7) 0.6725(4) 0.073(3) Uani 1 1 d . .
O9 O -0.0354(4) 0.4106(7) 0.6127(5) 0.071(3) Uani 1 1 d . .
O6 O 0.4949(5) 0.3126(8) 0.4796(5) 0.094(4) Uani 1 1 d . U
O10 O 0.0651(4) 0.5155(8) 0.7084(6) 0.089(4) Uani 1 1 d . .
N1 N 0.3952(4) 0.5097(7) 0.5076(5) 0.047(2) Uani 1 1 d . .
O8 O 0.0643(5) 0.3575(8) 0.6005(6) 0.092(4) Uani 1 1 d . .
F16 F 0.0667(7) 0.7940(8) 0.5075(8) 0.154(5) Uani 1 1 d . U
F18 F 0.1137(8) 0.8298(11) 0.6037(9) 0.187(7) Uani 1 1 d . U
F12 F 0.0968(7) 0.1347(10) 0.6597(9) 0.185(7) Uani 1 1 d . U
F13 F 0.2537(6) 0.4326(12) 0.6904(9) 0.183(7) Uani 1 1 d . .
F15 F 0.2888(5) 0.4943(13) 0.7776(6) 0.175(7) Uani 1 1 d . U
F8 F 0.4703(14) 0.2469(16) 0.3667(9) 0.268(12) Uani 1 1 d . U
F11 F 0.1029(9) 0.1940(12) 0.5801(8) 0.207(8) Uani 1 1 d . U
F17 F 0.0278(8) 0.8926(10) 0.5427(10) 0.186(7) Uani 1 1 d . U
F14 F 0.2602(6) 0.5685(14) 0.6931(10) 0.209(9) Uani 1 1 d . .
F2 F 0.7246(7) 0.2930(15) 0.5688(8) 0.217(9) Uani 1 1 d . U
F1 F 0.7475(7) 0.1918(13) 0.6366(7) 0.207(8) Uani 1 1 d . U
F5 F 0.7051(9) 0.6349(17) 0.6822(10) 0.256(11) Uani 1 1 d . U
F10 F 0.1611(8) 0.2368(12) 0.6731(12) 0.224(10) Uani 1 1 d . .
F4 F 0.7353(7) 0.5067(17) 0.7203(13) 0.251(11) Uani 1 1 d . U
F6 F 0.7184(7) 0.6109(17) 0.7706(10) 0.274(11) Uani 1 1 d . U
F3 F 0.6641(10) 0.1760(15) 0.5444(10) 0.251(6) Uani 1 1 d . U
F9 F 0.4009(10) 0.178(2) 0.3611(12) 0.291(12) Uani 1 1 d . U
F7 F 0.4856(17) 0.130(2) 0.4164(12) 0.350(18) Uani 1 1 d . .
C1 C 0.6981(14) 0.232(2) 0.5866(15) 0.151(6) Uani 1 1 d . U
C2 C 0.6593(9) 0.2792(14) 0.6199(8) 0.102(7) Uani 1 1 d . .
C3 C 0.6756(7) 0.2711(14) 0.6837(7) 0.096(6) Uani 1 1 d . .
H3 H 0.7133 0.2437 0.7113 0.116 Uiso 1 1 calc R U
C4 C 0.6368(7) 0.3029(12) 0.7098(8) 0.080(5) Uani 1 1 d . .
C5 C 0.6586(8) 0.3038(12) 0.7811(7) 0.083(5) Uani 1 1 d . .
C6 C 0.6168(9) 0.3128(16) 0.8028(9) 0.123(8) Uani 1 1 d . .
H6 H 0.5749 0.3141 0.7725 0.147 Uiso 1 1 calc R U
C7 C 0.6326(11) 0.3202(14) 0.8680(9) 0.110(7) Uani 1 1 d . .
H7 H 0.6029 0.3252 0.8824 0.132 Uiso 1 1 calc R U
C8 C 0.6965(11) 0.3196(14) 0.9107(9) 0.107(7) Uani 1 1 d . .
H8 H 0.7103 0.3256 0.9552 0.128 Uiso 1 1 calc R U
C9 C 0.7371(11) 0.3107(14) 0.8885(10) 0.113(7) Uani 1 1 d . .
H9 H 0.7791 0.3109 0.9184 0.136 Uiso 1 1 calc R U
C10 C 0.7217(8) 0.3012(14) 0.8250(8) 0.102(6) Uani 1 1 d . .
H10 H 0.7518 0.2933 0.8112 0.123 Uiso 1 1 calc R U
C11 C 0.7009(11) 0.576(2) 0.7213(10) 0.122(7) Uani 1 1 d . U
C12 C 0.6312(7) 0.5435(13) 0.6888(8) 0.084(5) Uani 1 1 d . U
C13 C 0.5975(7) 0.5555(12) 0.7228(6) 0.077(4) Uani 1 1 d . U
H13 H 0.6155 0.5857 0.7626 0.092 Uiso 1 1 calc R U
C14 C 0.5366(7) 0.5226(9) 0.6976(8) 0.063(4) Uani 1 1 d . .
C15 C 0.5025(6) 0.5374(11) 0.7364(7) 0.068(4) Uani 1 1 d D .
C16 C 0.4523(8) 0.4922(14) 0.7237(9) 0.098(6) Uani 1 1 d . .
H16 H 0.4388 0.4491 0.6904 0.118 Uiso 1 1 calc R U
C17 C 0.4169(9) 0.504(2) 0.7564(11) 0.153(12) Uani 1 1 d . .
H17 H 0.3811 0.4691 0.7450 0.184 Uiso 1 1 calc R U
C18 C 0.4341(9) 0.5602(19) 0.8004(10) 0.127(9) Uani 1 1 d . .
H18 H 0.4138 0.5630 0.8259 0.152 Uiso 1 1 calc R U
C19 C 0.4813(11) 0.6183(19) 0.8128(12) 0.164(12) Uani 1 1 d . .
H19 H 0.4910 0.6643 0.8439 0.197 Uiso 1 1 calc R U
C20 C 0.5155(10) 0.6094(14) 0.7792(10) 0.131(9) Uani 1 1 d D .
H20 H 0.5467 0.6513 0.7855 0.157 Uiso 1 1 calc R U
C21 C 0.4650(16) 0.204(3) 0.4128(16) 0.163(5) Uani 1 1 d . U
C22 C 0.4547(9) 0.2471(17) 0.4641(12) 0.122(4) Uani 1 1 d . U
C23 C 0.4178(9) 0.2182(14) 0.4852(13) 0.123(8) Uani 1 1 d . U
H23 H 0.3898 0.1719 0.4624 0.148 Uiso 1 1 calc R U
C24 C 0.4177(8) 0.2526(15) 0.5398(9) 0.088(5) Uani 1 1 d . .
C25 C 0.3743(6) 0.2141(11) 0.5623(7) 0.113(3) Uani 1 1 d DG U
C26 C 0.3450(8) 0.1295(11) 0.5424(8) 0.194(3) Uani 1 1 d G U
H26 H 0.3537 0.0924 0.5150 0.232 Uiso 1 1 calc R U
C27 C 0.3030(8) 0.1003(11) 0.5635(10) 0.226(6) Uani 1 1 d G U
H27 H 0.2834 0.0437 0.5502 0.271 Uiso 1 1 calc R U
C28 C 0.2901(7) 0.1558(14) 0.6045(9) 0.200(12) Uani 1 1 d G U
H28 H 0.2619 0.1362 0.6186 0.240 Uiso 1 1 calc R U
C29 C 0.3193(8) 0.2404(13) 0.6244(8) 0.153(5) Uani 1 1 d G U
H29 H 0.3107 0.2775 0.6518 0.183 Uiso 1 1 calc R U
C30 C 0.3614(7) 0.2696(9) 0.6032(7) 0.133(3) Uani 1 1 d DG U
H30 H 0.3810 0.3262 0.6165 0.159 Uiso 1 1 calc R U
C31 C 0.3514(5) 0.4473(9) 0.4725(5) 0.047(3) Uani 1 1 d . .
H31 H 0.3578 0.4065 0.4454 0.056 Uiso 1 1 calc R U
C32 C 0.2976(5) 0.4449(10) 0.4774(6) 0.054(3) Uani 1 1 d . .
H32 H 0.2671 0.4020 0.4537 0.065 Uiso 1 1 calc R U
C33 C 0.3878(5) 0.5711(9) 0.5456(6) 0.051(3) Uani 1 1 d . .
H33 H 0.4187 0.6140 0.5684 0.062 Uiso 1 1 calc R U
C34 C 0.3337(5) 0.5704(10) 0.5509(6) 0.057(3) Uani 1 1 d . .
H34 H 0.3281 0.6137 0.5770 0.068 Uiso 1 1 calc R U
C35 C 0.2882(5) 0.5073(9) 0.5184(6) 0.050(3) Uani 1 1 d . .
C36 C 0.2280(5) 0.5044(9) 0.5204(6) 0.047(3) Uani 1 1 d . .
C37 C 0.2011(6) 0.4230(10) 0.5238(6) 0.059(4) Uani 1 1 d . .
H37 H 0.2214 0.3677 0.5270 0.071 Uiso 1 1 calc R U
C38 C 0.1446(5) 0.4238(9) 0.5226(6) 0.052(3) Uani 1 1 d . .
H38 H 0.1271 0.3688 0.5261 0.062 Uiso 1 1 calc R U
C39 C 0.1395(6) 0.5809(9) 0.5166(9) 0.074(5) Uani 1 1 d . .
H39 H 0.1188 0.6350 0.5160 0.089 Uiso 1 1 calc R U
C40 C 0.1968(6) 0.5834(9) 0.5178(7) 0.056(3) Uani 1 1 d . .
H40 H 0.2143 0.6397 0.5167 0.067 Uiso 1 1 calc R U
C41 C 0.0982(15) 0.2085(19) 0.6296(15) 0.138(10) Uani 1 1 d . .
C42 C 0.0576(7) 0.2899(11) 0.6291(10) 0.084(5) Uani 1 1 d . .
C43 C 0.0193(6) 0.2780(11) 0.6560(8) 0.081(5) Uani 1 1 d . .
H43 H 0.0247 0.2269 0.6822 0.098 Uiso 1 1 calc R U
C44 C -0.0273(7) 0.3387(12) 0.6460(8) 0.071(4) Uani 1 1 d . .
C45 C -0.0697(7) 0.3280(10) 0.6759(8) 0.076(4) Uani 1 1 d D .
C46 C -0.0628(8) 0.2583(11) 0.7198(9) 0.086(5) Uani 1 1 d . U
H46 H -0.0330 0.2129 0.7286 0.103 Uiso 1 1 calc R U
C47 C -0.0996(11) 0.2559(18) 0.7503(11) 0.130(8) Uani 1 1 d . U
H47 H -0.0955 0.2077 0.7784 0.156 Uiso 1 1 calc R U
C48 C -0.1449(13) 0.328(2) 0.7390(15) 0.167(11) Uani 1 1 d . U
H48 H -0.1700 0.3269 0.7594 0.200 Uiso 1 1 calc R U
C49 C -0.1495(13) 0.400(2) 0.6965(17) 0.188(12) Uani 1 1 d . U
H49 H -0.1774 0.4477 0.6879 0.226 Uiso 1 1 calc R U
C50 C -0.1112(9) 0.3952(14) 0.6685(11) 0.121(8) Uani 1 1 d D U
H50 H -0.1138 0.4437 0.6412 0.146 Uiso 1 1 calc R U
C51 C 0.2461(9) 0.504(2) 0.7188(12) 0.112(7) Uani 1 1 d . .
C52 C 0.1811(6) 0.5072(10) 0.7125(7) 0.060(4) Uani 1 1 d . .
C53 C 0.1721(7) 0.5087(11) 0.7638(9) 0.081(5) Uani 1 1 d . .
H53 H 0.2064 0.5101 0.8048 0.097 Uiso 1 1 calc R U
C54 C 0.1132(6) 0.5082(10) 0.7588(7) 0.060(4) Uani 1 1 d . U
C55 C 0.1012(7) 0.5153(10) 0.8114(9) 0.069(4) Uani 1 1 d . U
C56 C 0.0466(8) 0.5007(10) 0.8168(10) 0.083(5) Uani 1 1 d . .
H56 H 0.0124 0.4836 0.7782 0.100 Uiso 1 1 calc R U
C57 C 0.0353(12) 0.5071(14) 0.8674(15) 0.116(8) Uani 1 1 d . .
H57 H -0.0045 0.4993 0.8629 0.140 Uiso 1 1 calc R U
C58 C 0.0837(14) 0.5254(17) 0.9251(15) 0.135(10) Uani 1 1 d . .
H58 H 0.0773 0.5231 0.9616 0.162 Uiso 1 1 calc R U
C59 C 0.1432(12) 0.5477(13) 0.9346(11) 0.122(8) Uani 1 1 d . .
H59 H 0.1757 0.5650 0.9745 0.147 Uiso 1 1 calc R U
C60 C 0.1485(11) 0.5409(12) 0.8763(11) 0.108(7) Uani 1 1 d . .
H60 H 0.1874 0.5547 0.8801 0.129 Uiso 1 1 calc R U
C61 C 0.0586(12) 0.8157(17) 0.5587(12) 0.110(6) Uani 1 1 d . U
C62 C 0.0261(8) 0.7372(14) 0.5740(9) 0.089(6) Uani 1 1 d . .
C63 C -0.0230(7) 0.7554(10) 0.5850(8) 0.080(5) Uani 1 1 d . .
H63 H -0.0383 0.8152 0.5781 0.096 Uiso 1 1 calc R U
C64 C -0.0524(6) 0.6902(12) 0.6062(7) 0.073(4) Uani 1 1 d . .
C65 C -0.1034(7) 0.7149(12) 0.6201(9) 0.082(5) Uani 1 1 d D .
C66 C -0.1174(7) 0.6617(13) 0.6595(9) 0.090(5) Uani 1 1 d . .
H66 H -0.0935 0.6097 0.6783 0.108 Uiso 1 1 calc R U
C67 C -0.1652(8) 0.6822(17) 0.6722(10) 0.112(7) Uani 1 1 d . .
H67 H -0.1725 0.6461 0.7011 0.135 Uiso 1 1 calc R U
C68 C -0.2023(11) 0.7552(17) 0.6430(12) 0.122(7) Uani 1 1 d . U
H68 H -0.2343 0.7695 0.6529 0.146 Uiso 1 1 calc R U
C69 C -0.1943(10) 0.8060(16) 0.6010(13) 0.127(7) Uani 1 1 d . U
H69 H -0.2219 0.8530 0.5785 0.152 Uiso 1 1 calc R U
C70 C -0.1438(9) 0.7876(14) 0.5915(11) 0.122(7) Uani 1 1 d D U
H70 H -0.1362 0.8262 0.5641 0.146 Uiso 1 1 calc R U
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O4 Dy1 O3 72.7(3) . .
O4 Dy1 O2 74.1(3) . .
O3 Dy1 O2 78.7(4) . .
O4 Dy1 O1 140.3(3) . .
O3 Dy1 O1 79.2(4) . .
O2 Dy1 O1 73.3(3) . .
O4 Dy1 O5 76.3(3) . .
O3 Dy1 O5 145.0(4) . .
O2 Dy1 O5 77.4(4) . .
O1 Dy1 O5 117.2(4) . .
O4 Dy1 O6 143.8(3) . .
O3 Dy1 O6 141.5(3) . .
O2 Dy1 O6 116.2(4) . .
O1 Dy1 O6 72.6(4) . .
O5 Dy1 O6 72.8(4) . .
O4 Dy1 O7 117.1(3) . 3_666
O3 Dy1 O7 74.8(3) . 3_666
O2 Dy1 O7 145.7(3) . 3_666
O1 Dy1 O7 80.6(3) . 3_666
O5 Dy1 O7 135.5(3) . 3_666
O6 Dy1 O7 75.2(4) . 3_666
O4 Dy1 O7 74.8(3) . .
O3 Dy1 O7 104.7(4) . .
O2 Dy1 O7 145.9(3) . .
O1 Dy1 O7 140.8(3) . .
O5 Dy1 O7 82.1(3) . .
O6 Dy1 O7 82.6(4) . .
O7 Dy1 O7 63.6(3) 3_666 .
O10 Dy2 O11 71.8(3) . .
O10 Dy2 O9 76.8(4) . .
O11 Dy2 O9 131.0(3) . .
O10 Dy2 O8 94.6(4) . .
O11 Dy2 O8 75.6(4) . .
O9 Dy2 O8 70.4(3) . .
O10 Dy2 O12 75.0(3) . .
O11 Dy2 O12 127.8(4) . .
O9 Dy2 O12 76.2(3) . .
O8 Dy2 O12 146.5(3) . .
O10 Dy2 O13 100.0(4) . .
O11 Dy2 O13 77.1(4) . .
O9 Dy2 O13 146.0(3) . .
O8 Dy2 O13 143.1(3) . .
O12 Dy2 O13 70.4(3) . .
O10 Dy2 O14 150.3(3) . .
O11 Dy2 O14 78.6(3) . .
O9 Dy2 O14 123.9(3) . .
O8 Dy2 O14 75.9(3) . .
O12 Dy2 O14 127.4(3) . .
O13 Dy2 O14 74.7(3) . .
O10 Dy2 O14 146.8(3) . 3_566
O11 Dy2 O14 141.4(3) . 3_566
O9 Dy2 O14 76.8(3) . 3_566
O8 Dy2 O14 95.2(4) . 3_566
O12 Dy2 O14 79.5(3) . 3_566
O13 Dy2 O14 90.9(3) . 3_566
O14 Dy2 O14 62.9(3) . 3_566
N2 O14 Dy2 123.7(6) . .
N2 O14 Dy2 119.2(6) . 3_566
Dy2 O14 Dy2 117.1(3) . 3_566
C14 O4 Dy1 135.2(9) . .
N1 O7 Dy1 121.3(7) . 3_666
N1 O7 Dy1 122.3(7) . .
Dy1 O7 Dy1 116.4(3) 3_666 .
C24 O5 Dy1 137.4(10) . .
C64 O12 Dy2 141.5(8) . .
C52 O11 Dy2 132.5(8) . .
C38 N2 C39 121.9(10) . .
C38 N2 O14 121.3(10) . .
C39 N2 O14 116.8(9) . .
C62 O13 Dy2 135.1(9) . .
C12 O3 Dy1 132.0(9) . .
C2 O1 Dy1 131.0(9) . .
C4 O2 Dy1 134.7(9) . .
C44 O9 Dy2 132.9(9) . .
C22 O6 Dy1 127.6(14) . .
C54 O10 Dy2 138.5(9) . .
C33 N1 C31 123.0(9) . .
C33 N1 O7 120.2(10) . .
C31 N1 O7 116.8(9) . .
C42 O8 Dy2 129.5(10) . .
F3 C1 F2 117(3) . .
F3 C1 F1 113(3) . .
F2 C1 F1 102(3) . .
F3 C1 C2 109(3) . .
F2 C1 C2 111(2) . .
F1 C1 C2 105(2) . .
O1 C2 C3 130.9(15) . .
O1 C2 C1 105.6(15) . .
C3 C2 C1 123.2(17) . .
C2 C3 C4 121.9(15) . .
C2 C3 H3 119.1 . .
C4 C3 H3 119.1 . .
O2 C4 C3 120.7(14) . .
O2 C4 C5 118.2(13) . .
C3 C4 C5 121.1(14) . .
C6 C5 C10 119.9(15) . .
C6 C5 C4 118.8(16) . .
C10 C5 C4 121.2(14) . .
C5 C6 C7 123.3(19) . .
C5 C6 H6 118.4 . .
C7 C6 H6 118.4 . .
C6 C7 C8 115.4(18) . .
C6 C7 H7 122.3 . .
C8 C7 H7 122.3 . .
C9 C8 C7 120.5(19) . .
C9 C8 H8 119.7 . .
C7 C8 H8 119.7 . .
C8 C9 C10 124(2) . .
C8 C9 H9 117.9 . .
C10 C9 H9 117.9 . .
C9 C10 C5 116.7(18) . .
C9 C10 H10 121.7 . .
C5 C10 H10 121.7 . .
F6 C11 F5 107(3) . .
F6 C11 F4 115(3) . .
F5 C11 F4 104(2) . .
F6 C11 C12 115.5(17) . .
F5 C11 C12 106(2) . .
F4 C11 C12 108(2) . .
O3 C12 C13 129.0(14) . .
O3 C12 C11 112.4(13) . .
C13 C12 C11 118.6(13) . .
C12 C13 C14 120.5(13) . .
C12 C13 H13 119.8 . .
C14 C13 H13 119.8 . .
O4 C14 C13 124.3(12) . .
O4 C14 C15 117.4(12) . .
C13 C14 C15 118.2(12) . .
C16 C15 C20 115.3(14) . .
C16 C15 C14 121.1(13) . .
C20 C15 C14 122.6(14) . .
C15 C16 C17 124.7(17) . .
C15 C16 H16 117.6 . .
C17 C16 H16 117.6 . .
C18 C17 C16 118(2) . .
C18 C17 H17 120.8 . .
C16 C17 H17 120.8 . .
C17 C18 C19 121.8(18) . .
C17 C18 H18 119.1 . .
C19 C18 H18 119.1 . .
C18 C19 C20 119.7(18) . .
C18 C19 H19 120.1 . .
C20 C19 H19 120.1 . .
C15 C20 C19 118.8(17) . .
C15 C20 H20 120.6 . .
C19 C20 H20 120.6 . .
F7 C21 F8 107(3) . .
F7 C21 C22 124(3) . .
F8 C21 C22 126(3) . .
F7 C21 F9 94(3) . .
F8 C21 F9 86(2) . .
C22 C21 F9 105(2) . .
C23 C22 O6 135(2) . .
C23 C22 C21 126(3) . .
O6 C22 C21 99(2) . .
C22 C23 C24 123(2) . .
C22 C23 H23 118.6 . .
C24 C23 H23 118.6 . .
O5 C24 C23 123.1(16) . .
O5 C24 C25 117.1(17) . .
C23 C24 C25 119.7(19) . .
C26 C25 C30 120.0 . .
C26 C25 C24 123.6(14) . .
C30 C25 C24 116.3(15) . .
C25 C26 C27 120.0 . .
C25 C26 H26 120.0 . .
C27 C26 H26 120.0 . .
C28 C27 C26 120.0 . .
C28 C27 H27 120.0 . .
C26 C27 H27 120.0 . .
C27 C28 C29 120.0 . .
C27 C28 H28 120.0 . .
C29 C28 H28 120.0 . .
C30 C29 C28 120.0 . .
C30 C29 H29 120.0 . .
C28 C29 H29 120.0 . .
C29 C30 C25 120.0 . .
C29 C30 H30 120.0 . .
C25 C30 H30 120.0 . .
N1 C31 C32 119.0(11) . .
N1 C31 H31 120.5 . .
C32 C31 H31 120.5 . .
C31 C32 C35 120.1(12) . .
C31 C32 H32 119.9 . .
C35 C32 H32 119.9 . .
N1 C33 C34 119.0(11) . .
N1 C33 H33 120.5 . .
C34 C33 H33 120.5 . .
C35 C34 C33 121.3(12) . .
C35 C34 H34 119.3 . .
C33 C34 H34 119.3 . .
C34 C35 C32 117.6(10) . .
C34 C35 C36 124.0(12) . .
C32 C35 C36 118.2(11) . .
C40 C36 C37 117.4(10) . .
C40 C36 C35 120.7(11) . .
C37 C36 C35 121.9(11) . .
C38 C37 C36 119.6(12) . .
C38 C37 H37 120.2 . .
C36 C37 H37 120.2 . .
N2 C38 C37 121.3(12) . .
N2 C38 H38 119.4 . .
C37 C38 H38 119.4 . .
N2 C39 C40 118.6(11) . .
N2 C39 H39 120.7 . .
C40 C39 H39 120.7 . .
C36 C40 C39 120.9(12) . .
C36 C40 H40 119.5 . .
C39 C40 H40 119.5 . .
F11 C41 F12 114(3) . .
F11 C41 F10 100(2) . .
F12 C41 F10 98(2) . .
F11 C41 C42 118(2) . .
F12 C41 C42 118(2) . .
F10 C41 C42 104(2) . .
O8 C42 C43 129.8(14) . .
O8 C42 C41 111.9(15) . .
C43 C42 C41 118.2(17) . .
C42 C43 C44 122.0(14) . .
C42 C43 H43 119.0 . .
C44 C43 H43 119.0 . .
O9 C44 C43 121.4(13) . .
O9 C44 C45 115.3(13) . .
C43 C44 C45 123.2(14) . .
C50 C45 C46 116.6(15) . .
C50 C45 C44 119.8(15) . .
C46 C45 C44 122.9(14) . .
C47 C46 C45 120.7(17) . .
C47 C46 H46 119.6 . .
C45 C46 H46 119.6 . .
C46 C47 C48 120(2) . .
C46 C47 H47 119.8 . .
C48 C47 H47 119.8 . .
C49 C48 C47 118(2) . .
C49 C48 H48 121.0 . .
C47 C48 H48 121.0 . .
C50 C49 C48 117(2) . .
C50 C49 H49 121.5 . .
C48 C49 H49 121.5 . .
C45 C50 C49 127(2) . .
C45 C50 H50 116.4 . .
C49 C50 H50 116.4 . .
F14 C51 F15 109(2) . .
F14 C51 F13 103(2) . .
F15 C51 F13 102(2) . .
F14 C51 C52 116(2) . .
F15 C51 C52 113.5(18) . .
F13 C51 C52 111.2(18) . .
C53 C52 O11 128.3(13) . .
C53 C52 C51 121.2(15) . .
O11 C52 C51 110.2(14) . .
C52 C53 C54 121.9(16) . .
C52 C53 H53 119.1 . .
C54 C53 H53 119.1 . .
O10 C54 C53 125.1(14) . .
O10 C54 C55 109.9(12) . .
C53 C54 C55 124.1(14) . .
C54 C55 C56 131.5(16) . .
C54 C55 C60 122.9(14) . .
C56 C55 C60 105.6(17) . .
C57 C56 C55 131(2) . .
C57 C56 H56 114.4 . .
C55 C56 H56 114.4 . .
C56 C57 C58 117(2) . .
C56 C57 H57 121.5 . .
C58 C57 H57 121.5 . .
C57 C58 C59 125(3) . .
C57 C58 H58 117.7 . .
C59 C58 H58 117.7 . .
C58 C59 C60 112(2) . .
C58 C59 H59 123.9 . .
C60 C59 H59 123.9 . .
C59 C60 C55 129(2) . .
C59 C60 H60 115.6 . .
C55 C60 H60 115.6 . .
F18 C61 F17 110(2) . .
F18 C61 F16 103.7(18) . .
F17 C61 F16 105(2) . .
F18 C61 C62 113(2) . .
F17 C61 C62 114.8(18) . .
F16 C61 C62 109.8(18) . .
O13 C62 C63 127.3(16) . .
O13 C62 C61 112.7(14) . .
C63 C62 C61 119.7(17) . .
C62 C63 C64 124.6(15) . .
C62 C63 H63 117.7 . .
C64 C63 H63 117.7 . .
O12 C64 C63 120.5(12) . .
O12 C64 C65 117.3(14) . .
C63 C64 C65 122.1(15) . .
C66 C65 C70 114.6(15) . .
C66 C65 C64 120.8(16) . .
C70 C65 C64 124.4(17) . .
C65 C66 C67 121.9(18) . .
C65 C66 H66 119.0 . .
C67 C66 H66 119.0 . .
C68 C67 C66 120(2) . .
C68 C67 H67 120.0 . .
C66 C67 H67 120.0 . .
C69 C68 C67 121(2) . .
C69 C68 H68 119.3 . .
C67 C68 H68 119.3 . .
C68 C69 C70 118(2) . .
C68 C69 H69 121.2 . .
C70 C69 H69 121.2 . .
C69 C70 C65 124(2) . .
C69 C70 H70 118.0 . .
C65 C70 H70 118.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O4 2.297(8) .
Dy1 O3 2.299(11) .
Dy1 O2 2.310(9) .
Dy1 O1 2.317(9) .
Dy1 O5 2.335(9) .
Dy1 O6 2.374(11) .
Dy1 O7 2.405(9) 3_666
Dy1 O7 2.416(9) .
Dy2 O10 2.290(12) .
Dy2 O11 2.311(10) .
Dy2 O9 2.316(9) .
Dy2 O8 2.331(11) .
Dy2 O12 2.351(8) .
Dy2 O13 2.368(10) .
Dy2 O14 2.381(9) .
Dy2 O14 2.432(8) 3_566
O14 N2 1.374(10) .
O14 Dy2 2.432(8) 3_566
O4 C14 1.256(16) .
O7 N1 1.366(10) .
O7 Dy1 2.405(9) 3_666
O5 C24 1.29(2) .
O12 C64 1.234(16) .
O11 C52 1.309(16) .
N2 C38 1.299(14) .
N2 C39 1.322(15) .
O13 C62 1.243(18) .
O3 C12 1.271(16) .
O1 C2 1.258(17) .
O2 C4 1.273(15) .
O9 C44 1.263(17) .
O6 C22 1.29(2) .
O10 C54 1.216(16) .
N1 C33 1.327(15) .
N1 C31 1.347(15) .
O8 C42 1.238(17) .
F16 C61 1.33(2) .
F18 C61 1.28(3) .
F12 C41 1.29(3) .
F13 C51 1.29(2) .
F15 C51 1.28(2) .
F8 C21 1.30(3) .
F11 C41 1.23(2) .
F17 C61 1.30(2) .
F14 C51 1.24(3) .
F2 C1 1.27(3) .
F1 C1 1.36(3) .
F5 C11 1.29(3) .
F10 C41 1.45(3) .
F4 C11 1.32(3) .
F6 C11 1.14(2) .
F3 C1 1.25(3) .
F9 C21 1.51(3) .
F7 C21 1.18(4) .
C1 C2 1.62(3) .
C2 C3 1.35(2) .
C3 C4 1.41(2) .
C3 H3 0.9300 .
C4 C5 1.49(2) .
C5 C6 1.33(2) .
C5 C10 1.39(2) .
C6 C7 1.38(2) .
C6 H6 0.9300 .
C7 C8 1.40(2) .
C7 H7 0.9300 .
C8 C9 1.32(2) .
C8 H8 0.9300 .
C9 C10 1.35(2) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.57(2) .
C12 C13 1.387(18) .
C13 C14 1.398(18) .
C13 H13 0.9300 .
C14 C15 1.497(17) .
C15 C16 1.29(2) .
C15 C20 1.377(15) .
C16 C17 1.40(2) .
C16 H16 0.9300 .
C17 C18 1.23(3) .
C17 H17 0.9300 .
C18 C19 1.34(3) .
C18 H18 0.9300 .
C19 C20 1.39(2) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C22 1.47(3) .
C22 C23 1.28(3) .
C23 C24 1.36(3) .
C23 H23 0.9300 .
C24 C25 1.486(18) .
C25 C26 1.3900 .
C25 C30 1.3900 .
C26 C27 1.3900 .
C26 H26 0.9300 .
C27 C28 1.3900 .
C27 H27 0.9300 .
C28 C29 1.3900 .
C28 H28 0.9300 .
C29 C30 1.3900 .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 C32 1.365(13) .
C31 H31 0.9300 .
C32 C35 1.409(17) .
C32 H32 0.9300 .
C33 C34 1.374(14) .
C33 H33 0.9300 .
C34 C35 1.364(17) .
C34 H34 0.9300 .
C35 C36 1.484(14) .
C36 C40 1.364(16) .
C36 C37 1.373(17) .
C37 C38 1.360(14) .
C37 H37 0.9300 .
C38 H38 0.9300 .
C39 C40 1.380(15) .
C39 H39 0.9300 .
C40 H40 0.9300 .
C41 C42 1.54(2) .
C42 C43 1.354(18) .
C43 C44 1.368(19) .
C43 H43 0.9300 .
C44 C45 1.493(18) .
C45 C50 1.358(15) .
C45 C46 1.39(2) .
C46 C47 1.37(2) .
C46 H46 0.9300 .
C47 C48 1.46(3) .
C47 H47 0.9300 .
C48 C49 1.40(3) .
C48 H48 0.9300 .
C49 C50 1.36(3) .
C49 H49 0.9300 .
C50 H50 0.9300 .
C51 C52 1.52(2) .
C52 C53 1.305(19) .
C53 C54 1.382(16) .
C53 H53 0.9300 .
C54 C55 1.38(2) .
C55 C56 1.40(2) .
C55 C60 1.46(2) .
C56 C57 1.33(3) .
C56 H56 0.9300 .
C57 C58 1.34(3) .
C57 H57 0.9300 .
C58 C59 1.40(3) .
C58 H58 0.9300 .
C59 C60 1.42(3) .
C59 H59 0.9300 .
C60 H60 0.9300 .
C61 C62 1.52(3) .
C62 C63 1.357(17) .
C63 C64 1.406(19) .
C63 H63 0.9300 .
C64 C65 1.463(17) .
C65 C66 1.36(2) .
C65 C70 1.385(16) .
C66 C67 1.36(2) .
C66 H66 0.9300 .
C67 C68 1.36(3) .
C67 H67 0.9300 .
C68 C69 1.31(3) .
C68 H68 0.9300 .
C69 C70 1.37(2) .
C69 H69 0.9300 .
C70 H70 0.9300 .
