#------------------------------------------------------------------------------
#$Date: 2019-11-17 13:04:00 +0200 (Sun, 17 Nov 2019) $
#$Revision: 230033 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/74/7047451.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_7047451
loop_
_publ_author_name
'Zouzou, Amina'
'Beghidja, Adel'
'Long, Jérôme'
'Beghidja, Chahrazed'
'Gándara, Felipe'
'Guari, Yannick'
'Larionova, Joulia'
_publ_section_title
;
 Synthesis, structure and magnetic investigations of dinuclear lanthanide
 complexes based on 2-ethoxycinnamate.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13647
_journal_page_last               13656
_journal_paper_doi               10.1039/c8dt03020k
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C35.68 H41.68 Dy N0.68 O11 S0.32'
_chemical_formula_sum            'C35.68 H41.68 Dy N0.68 O11 S0.32'
_chemical_formula_weight         828.81
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2018-06-16
_audit_creation_method
;
Olex2 1.2
(compiled May 18 2018 14:05:52 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2018-06-21 deposited with the CCDC.
2018-09-05 downloaded from the CCDC.
;
_cell_angle_alpha                110.3720(10)
_cell_angle_beta                 103.423(2)
_cell_angle_gamma                95.963(2)
_cell_formula_units_Z            2
_cell_length_a                   8.3946(2)
_cell_length_b                   14.6797(4)
_cell_length_c                   16.3326(5)
_cell_measurement_reflns_used    9870
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      65.74
_cell_measurement_theta_min      3.01
_cell_volume                     1797.20(9)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0479
_diffrn_reflns_av_unetI/netI     0.0483
_diffrn_reflns_Laue_measured_fraction_full 0.965
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            19985
_diffrn_reflns_point_group_measured_fraction_full 0.965
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full        65.736
_diffrn_reflns_theta_max         65.736
_diffrn_reflns_theta_min         3.014
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    11.795
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8086
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016) was used for absorption correction.
wR2(int) was 0.0847 before and 0.0598 after correction.
The Ratio of minimum to maximum transmission is 0.8086.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_description       block
_exptl_crystal_F_000             839
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.562
_refine_diff_density_min         -0.739
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     467
_refine_ls_number_reflns         5984
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0370
_refine_ls_R_factor_gt           0.0326
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0782P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1049
_refine_ls_wR_factor_ref         0.1090
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5451
_reflns_number_total             5984
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt03020k2.cif
_cod_data_source_block           EM50
_cod_depositor_comments
'Adding full bibliography for 7047449--7047454.cif.'
_cod_database_code               7047451
_shelx_shelxl_version_number     2017/1
_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.
;
_shelx_estimated_absorpt_t_max   0.417
_shelx_estimated_absorpt_t_min   0.271
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All C(H,H,H,H,H,H) groups, All O(H,H) groups
2. Others
 Fixed Sof: S1(0.32) N1(0.68) C36(0.68) H36(0.68) H35A(0.32) H35B(0.32)
 H35C(0.32) H35D(0.68) H35E(0.68) H35F(0.68) C37(0.68) H37A(0.68) H37B(0.68)
 H37C(0.68) C34(0.32) H34A(0.32) H34B(0.32) H34C(0.32)
3.a Rotating group:
 O1W(H1WA,H1WB)
3.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C21(H21A,H21B), C32(H32A,H32B)
3.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C7(H7), C8(H8), C13(H13), C14(H14), C16(H16),
 C17(H17), C18(H18), C19(H19), C24(H24), C25(H25), C27(H27), C28(H28), C29(H29),
  C30(H30), C36(H36)
3.d Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C22(H22A,H22B,H22C), C33(H33A,H33B,H33C), C35(H35A,H35B,
 H35C), C35(H35D,H35E,H35F), C37(H37A,H37B,H37C), C34(H34A,H34B,H34C)
;
_olex2_submission_original_sample_id EM50
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.63032(3) 0.90972(2) 0.42230(2) 0.01393(11) Uani 1 1 d . . . .
S1 S 0.9304(7) 0.7634(3) 0.4633(3) 0.0303(9) Uani 0.32 1 d . P A 1
O1 O 0.6673(4) 0.7936(2) 0.2809(2) 0.0257(7) Uani 1 1 d . . . .
O1W O 0.8241(4) 1.0485(2) 0.5365(2) 0.0205(6) Uani 1 1 d . . . .
H1WA H 0.905055 1.029786 0.565660 0.031 Uiso 1 1 d GR . . .
H1WB H 0.778576 1.078906 0.577768 0.031 Uiso 1 1 d GR . . .
O2 O 0.8587(4) 0.9295(2) 0.36140(19) 0.0191(6) Uani 1 1 d . . . .
O3 O 0.7751(5) 0.5819(3) -0.0121(2) 0.0328(8) Uani 1 1 d . . . .
O4 O 0.4959(4) 0.7452(2) 0.4046(2) 0.0267(7) Uani 1 1 d . . . .
O5 O 0.3361(4) 0.8366(2) 0.3559(2) 0.0185(6) Uani 1 1 d . . . .
O6 O 0.2780(5) 0.4066(3) 0.3279(3) 0.0386(9) Uani 1 1 d . . . .
O7 O 0.4705(4) 1.0104(2) 0.6839(2) 0.0223(7) Uani 1 1 d . . . .
O8 O 0.5238(4) 0.9484(2) 0.55242(19) 0.0177(6) Uani 1 1 d . . . .
O9 O 0.7926(5) 0.8761(3) 0.9026(2) 0.0327(8) Uani 1 1 d . . . .
O10 O 0.8388(4) 0.8421(2) 0.4947(2) 0.0251(7) Uani 1 1 d . . . .
N1 N 0.9877(8) 0.7285(5) 0.5184(4) 0.0311(14) Uani 0.68 1 d . P A 2
C1 C 0.8036(5) 0.8455(3) 0.2936(3) 0.0186(9) Uani 1 1 d . . . .
C2 C 0.9138(6) 0.8162(3) 0.2338(3) 0.0223(9) Uani 1 1 d . . . .
H2 H 1.015676 0.859009 0.249793 0.027 Uiso 1 1 calc R . . .
C3 C 0.8788(6) 0.7338(3) 0.1592(3) 0.0202(9) Uani 1 1 d . . . .
H3 H 0.777154 0.690304 0.142042 0.024 Uiso 1 1 calc R . . .
C4 C 0.9930(6) 0.7081(3) 0.1026(3) 0.0227(9) Uani 1 1 d . . . .
C5 C 1.1593(6) 0.7597(4) 0.1325(3) 0.0291(11) Uani 1 1 d . . . .
H5 H 1.199249 0.809333 0.190639 0.035 Uiso 1 1 calc R . . .
C6 C 1.2645(8) 0.7393(4) 0.0790(4) 0.0377(12) Uani 1 1 d . . . .
H6 H 1.373490 0.775716 0.100300 0.045 Uiso 1 1 calc R . . .
C7 C 1.2085(7) 0.6642(4) -0.0071(4) 0.0373(13) Uani 1 1 d . . . .
H7 H 1.280285 0.650122 -0.043419 0.045 Uiso 1 1 calc R . . .
C8 C 1.0470(7) 0.6102(4) -0.0392(3) 0.0331(12) Uani 1 1 d . . . .
H8 H 1.010210 0.560384 -0.097282 0.040 Uiso 1 1 calc R . . .
C9 C 0.9382(6) 0.6298(4) 0.0149(3) 0.0229(9) Uani 1 1 d . . . .
C10 C 0.7151(8) 0.5065(4) -0.1029(3) 0.0372(13) Uani 1 1 d . . . .
H10A H 0.782862 0.456122 -0.110056 0.045 Uiso 1 1 calc R . . .
H10B H 0.719924 0.535314 -0.147680 0.045 Uiso 1 1 calc R . . .
C11 C 0.5366(7) 0.4616(5) -0.1155(4) 0.0443(14) Uani 1 1 d . . . .
H11A H 0.490739 0.411402 -0.175782 0.066 Uiso 1 1 calc GR . . .
H11B H 0.471577 0.512435 -0.107163 0.066 Uiso 1 1 calc GR . . .
H11C H 0.533978 0.432466 -0.071371 0.066 Uiso 1 1 calc GR . . .
C12 C 0.3557(5) 0.7539(3) 0.3647(3) 0.0177(9) Uani 1 1 d . . . .
C13 C 0.2071(6) 0.6737(3) 0.3287(3) 0.0249(10) Uani 1 1 d . . . .
H13 H 0.103719 0.684967 0.302942 0.030 Uiso 1 1 calc R . . .
C14 C 0.2180(6) 0.5858(3) 0.3323(3) 0.0223(9) Uani 1 1 d . . . .
H14 H 0.323670 0.577592 0.358402 0.027 Uiso 1 1 calc R . . .
C15 C 0.0797(6) 0.4997(3) 0.2991(3) 0.0241(10) Uani 1 1 d . . . .
C16 C -0.0879(6) 0.5068(4) 0.2709(3) 0.0286(10) Uani 1 1 d . . . .
H16 H -0.113937 0.567111 0.271644 0.034 Uiso 1 1 calc R . . .
C17 C -0.2151(7) 0.4245(4) 0.2420(4) 0.0346(12) Uani 1 1 d . . . .
H17 H -0.326005 0.430570 0.225535 0.042 Uiso 1 1 calc R . . .
C18 C -0.1787(7) 0.3349(4) 0.2376(4) 0.0342(12) Uani 1 1 d . . . .
H18 H -0.265056 0.279978 0.217090 0.041 Uiso 1 1 calc R . . .
C19 C -0.0148(7) 0.3248(4) 0.2633(4) 0.0329(11) Uani 1 1 d . . . .
H19 H 0.009126 0.263039 0.258431 0.040 Uiso 1 1 calc R . . .
C20 C 0.1149(7) 0.4079(4) 0.2967(3) 0.0282(10) Uani 1 1 d . . . .
C21 C 0.3251(8) 0.3158(5) 0.3300(5) 0.0482(15) Uani 1 1 d . . . .
H21A H 0.313170 0.269369 0.268664 0.058 Uiso 1 1 calc R . . .
H21B H 0.254812 0.285376 0.356770 0.058 Uiso 1 1 calc R . . .
C22 C 0.5035(10) 0.3424(6) 0.3863(7) 0.074(2) Uani 1 1 d . . . .
H22A H 0.572264 0.369400 0.357484 0.111 Uiso 1 1 calc GR . . .
H22B H 0.538403 0.284033 0.391895 0.111 Uiso 1 1 calc GR . . .
H22C H 0.514398 0.390746 0.445812 0.111 Uiso 1 1 calc GR . . .
C23 C 0.5608(5) 0.9649(3) 0.6382(3) 0.0171(9) Uani 1 1 d . . . .
C24 C 0.7124(6) 0.9388(3) 0.6808(3) 0.0231(10) Uani 1 1 d . . . .
H24 H 0.779524 0.911819 0.644458 0.028 Uiso 1 1 calc R . . .
C25 C 0.7610(6) 0.9509(3) 0.7680(3) 0.0222(9) Uani 1 1 d . . . .
H25 H 0.687432 0.970280 0.802406 0.027 Uiso 1 1 calc R . . .
C26 C 0.9230(6) 0.9359(3) 0.8139(3) 0.0260(10) Uani 1 1 d . . . .
C27 C 1.0672(7) 0.9572(4) 0.7887(4) 0.0317(11) Uani 1 1 d . . . .
H27 H 1.058415 0.977126 0.739910 0.038 Uiso 1 1 calc R . . .
C28 C 1.2217(7) 0.9492(4) 0.8351(4) 0.0439(14) Uani 1 1 d . . . .
H28 H 1.315592 0.962612 0.816984 0.053 Uiso 1 1 calc R . . .
C29 C 1.2363(8) 0.9210(5) 0.9087(4) 0.0440(15) Uani 1 1 d . . . .
H29 H 1.340654 0.918194 0.941779 0.053 Uiso 1 1 calc R . . .
C30 C 1.0954(7) 0.8972(4) 0.9327(4) 0.0361(12) Uani 1 1 d . . . .
H30 H 1.105881 0.876813 0.981244 0.043 Uiso 1 1 calc R . . .
C31 C 0.9385(6) 0.9029(4) 0.8862(3) 0.0276(10) Uani 1 1 d . . . .
C32 C 0.8003(7) 0.8273(4) 0.9651(4) 0.0379(13) Uani 1 1 d . . . .
H32A H 0.862280 0.873106 1.026343 0.045 Uiso 1 1 calc R . . .
H32B H 0.856361 0.771963 0.947964 0.045 Uiso 1 1 calc R . . .
C33 C 0.6244(9) 0.7908(6) 0.9619(6) 0.064(2) Uani 1 1 d . . . .
H33A H 0.562221 0.748805 0.900307 0.096 Uiso 1 1 calc GR . . .
H33B H 0.572636 0.846380 0.983071 0.096 Uiso 1 1 calc GR . . .
H33C H 0.625735 0.753791 1.000226 0.096 Uiso 1 1 calc GR . . .
C36 C 0.8509(12) 0.7534(6) 0.4806(5) 0.0259(16) Uani 0.68 1 d . P A 2
H36 H 0.759543 0.703230 0.441826 0.031 Uiso 0.68 1 calc R P A 2
C35 C 1.1307(8) 0.7983(5) 0.5700(5) 0.0494(16) Uani 1 1 d . . . .
H35A H 1.209427 0.852037 0.572149 0.074 Uiso 0.32 1 calc GR P A 1
H35B H 1.181750 0.741672 0.564240 0.074 Uiso 0.32 1 calc GR P A 1
H35C H 1.097558 0.818019 0.625053 0.074 Uiso 0.32 1 calc GR P A 1
H35D H 1.167788 0.793946 0.628472 0.074 Uiso 0.68 1 calc GR P A 2
H35E H 1.108536 0.863240 0.578075 0.074 Uiso 0.68 1 calc GR P A 2
H35F H 1.216146 0.786653 0.539599 0.074 Uiso 0.68 1 calc GR P A 2
C37 C 0.9949(13) 0.6262(6) 0.5055(6) 0.040(2) Uani 0.68 1 d . P A 2
H37A H 1.082395 0.607097 0.478365 0.060 Uiso 0.68 1 calc GR P A 2
H37B H 0.889850 0.583887 0.466214 0.060 Uiso 0.68 1 calc GR P A 2
H37C H 1.017387 0.619869 0.563482 0.060 Uiso 0.68 1 calc GR P A 2
C34 C 0.827(3) 0.6552(12) 0.4675(14) 0.044(4) Uani 0.32 1 d . P A 1
H34A H 0.809640 0.670191 0.526493 0.067 Uiso 0.32 1 calc GR P A 1
H34B H 0.893724 0.605442 0.456765 0.067 Uiso 0.32 1 calc GR P A 1
H34C H 0.720740 0.631061 0.421520 0.067 Uiso 0.32 1 calc GR P A 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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
O1 Dy1 O7 79.10(11) . 2_676
O1 Dy1 O8 130.14(10) . 2_676
O1 Dy1 C23 103.16(12) . 2_676
O1W Dy1 O1 128.15(10) . .
O1W Dy1 O2 74.93(10) . .
O1W Dy1 O4 138.02(11) . .
O1W Dy1 O5 143.77(10) . .
O1W Dy1 O7 97.47(11) . 2_676
O1W Dy1 O8 74.96(10) . .
O1W Dy1 O8 74.49(10) . 2_676
O1W Dy1 O10 75.21(11) . .
O1W Dy1 C23 90.87(11) . 2_676
O2 Dy1 O1 53.80(10) . .
O2 Dy1 O4 120.85(11) . .
O2 Dy1 O5 134.26(10) . .
O2 Dy1 O7 76.28(10) . 2_676
O2 Dy1 O8 148.78(10) . .
O2 Dy1 O8 114.05(10) . 2_676
O2 Dy1 C23 99.04(11) . 2_676
O4 Dy1 O1 74.42(11) . .
O4 Dy1 O7 123.29(11) . 2_676
O4 Dy1 O8 121.07(10) . 2_676
O4 Dy1 C23 120.66(11) . 2_676
O5 Dy1 O1 86.00(10) . .
O5 Dy1 O4 53.91(10) . .
O5 Dy1 O7 75.28(10) . 2_676
O5 Dy1 O8 73.30(10) . 2_676
O5 Dy1 C23 66.76(11) . 2_676
O7 Dy1 O8 52.17(10) 2_676 2_676
O7 Dy1 C23 26.33(11) 2_676 2_676
O8 Dy1 O1 152.55(11) . .
O8 Dy1 O4 78.17(11) . .
O8 Dy1 O5 76.65(10) . .
O8 Dy1 O7 115.81(10) . 2_676
O8 Dy1 O8 64.83(11) . 2_676
O8 Dy1 C23 26.99(11) 2_676 2_676
O8 Dy1 C23 89.48(11) . 2_676
O10 Dy1 O1 84.07(11) . .
O10 Dy1 O2 75.22(11) . .
O10 Dy1 O4 72.79(11) . .
O10 Dy1 O5 126.49(10) . .
O10 Dy1 O7 151.50(11) . 2_676
O10 Dy1 O8 144.26(10) . 2_676
O10 Dy1 O8 89.28(10) . .
O10 Dy1 C23 165.85(12) . 2_676
O10 S1 C35 102.9(3) . .
O10 S1 C34 107.7(7) . .
C34 S1 C35 99.1(7) . .
C1 O1 Dy1 91.7(2) . .
Dy1 O1W H1WA 110.3 . .
Dy1 O1W H1WB 110.0 . .
H1WA O1W H1WB 103.8 . .
C1 O2 Dy1 93.5(3) . .
C9 O3 C10 116.4(4) . .
C12 O4 Dy1 92.7(3) . .
C12 O5 Dy1 93.1(2) . .
C20 O6 C21 119.4(4) . .
C23 O7 Dy1 94.1(2) . 2_676
Dy1 O8 Dy1 115.17(11) . 2_676
C23 O8 Dy1 90.2(2) . 2_676
C23 O8 Dy1 144.4(3) . .
C31 O9 C32 116.9(4) . .
S1 O10 Dy1 135.2(2) . .
C36 O10 Dy1 131.0(4) . .
C36 N1 C35 121.2(6) . .
C36 N1 C37 121.9(8) . .
C35 N1 C37 116.9(6) . .
O1 C1 O2 120.8(4) . .
O1 C1 C2 123.4(4) . .
O2 C1 C2 115.8(4) . .
C1 C2 H2 117.3 . .
C3 C2 C1 125.4(4) . .
C3 C2 H2 117.3 . .
C2 C3 H3 118.4 . .
C2 C3 C4 123.1(4) . .
C4 C3 H3 118.4 . .
C5 C4 C3 121.6(4) . .
C5 C4 C9 117.5(4) . .
C9 C4 C3 120.9(4) . .
C4 C5 H5 118.9 . .
C6 C5 C4 122.1(5) . .
C6 C5 H5 118.9 . .
C5 C6 H6 120.1 . .
C5 C6 C7 119.8(6) . .
C7 C6 H6 120.1 . .
C6 C7 H7 119.8 . .
C8 C7 C6 120.4(5) . .
C8 C7 H7 119.8 . .
C7 C8 H8 119.8 . .
C7 C8 C9 120.5(5) . .
C9 C8 H8 119.8 . .
O3 C9 C4 115.8(4) . .
O3 C9 C8 124.5(4) . .
C8 C9 C4 119.7(5) . .
O3 C10 H10A 110.4 . .
O3 C10 H10B 110.4 . .
O3 C10 C11 106.6(4) . .
H10A C10 H10B 108.6 . .
C11 C10 H10A 110.4 . .
C11 C10 H10B 110.4 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11B 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
O4 C12 O5 120.1(4) . .
O4 C12 C13 122.5(4) . .
O5 C12 C13 117.4(4) . .
C12 C13 H13 119.5 . .
C14 C13 C12 121.0(4) . .
C14 C13 H13 119.5 . .
C13 C14 H14 116.8 . .
C13 C14 C15 126.5(4) . .
C15 C14 H14 116.8 . .
C16 C15 C14 122.1(4) . .
C20 C15 C14 119.5(5) . .
C20 C15 C16 118.5(4) . .
C15 C16 H16 119.8 . .
C17 C16 C15 120.4(5) . .
C17 C16 H16 119.8 . .
C16 C17 H17 119.7 . .
C18 C17 C16 120.5(5) . .
C18 C17 H17 119.7 . .
C17 C18 H18 119.7 . .
C17 C18 C19 120.6(5) . .
C19 C18 H18 119.7 . .
C18 C19 H19 120.1 . .
C18 C19 C20 119.8(5) . .
C20 C19 H19 120.1 . .
O6 C20 C15 115.7(4) . .
O6 C20 C19 124.2(4) . .
C19 C20 C15 120.1(5) . .
O6 C21 H21A 110.4 . .
O6 C21 H21B 110.4 . .
O6 C21 C22 106.8(5) . .
H21A C21 H21B 108.6 . .
C22 C21 H21A 110.4 . .
C22 C21 H21B 110.4 . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22B 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
O7 C23 O8 118.3(4) . .
O7 C23 C24 122.1(4) . .
O8 C23 C24 119.3(4) . .
C23 C24 H24 117.8 . .
C25 C24 C23 124.4(4) . .
C25 C24 H24 117.8 . .
C24 C25 H25 117.7 . .
C24 C25 C26 124.6(4) . .
C26 C25 H25 117.7 . .
C27 C26 C25 120.8(4) . .
C27 C26 C31 118.4(5) . .
C31 C26 C25 120.8(5) . .
C26 C27 H27 119.4 . .
C28 C27 C26 121.2(5) . .
C28 C27 H27 119.4 . .
C27 C28 H28 120.1 . .
C27 C28 C29 119.8(6) . .
C29 C28 H28 120.1 . .
C28 C29 H29 120.1 . .
C30 C29 C28 119.7(5) . .
C30 C29 H29 120.1 . .
C29 C30 H30 119.2 . .
C29 C30 C31 121.6(5) . .
C31 C30 H30 119.2 . .
O9 C31 C26 115.6(4) . .
O9 C31 C30 125.2(5) . .
C30 C31 C26 119.3(5) . .
O9 C32 H32A 110.1 . .
O9 C32 H32B 110.1 . .
O9 C32 C33 107.8(5) . .
H32A C32 H32B 108.5 . .
C33 C32 H32A 110.1 . .
C33 C32 H32B 110.1 . .
C32 C33 H33A 109.5 . .
C32 C33 H33B 109.5 . .
C32 C33 H33C 109.5 . .
H33A C33 H33B 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
O10 C36 N1 123.0(8) . .
O10 C36 H36 118.5 . .
N1 C36 H36 118.5 . .
S1 C35 H35A 109.5 . .
S1 C35 H35B 109.5 . .
S1 C35 H35C 109.5 . .
N1 C35 H35D 109.5 . .
N1 C35 H35E 109.5 . .
N1 C35 H35F 109.5 . .
H35A C35 H35B 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
H35D C35 H35E 109.5 . .
H35D C35 H35F 109.5 . .
H35E C35 H35F 109.5 . .
N1 C37 H37A 109.5 . .
N1 C37 H37B 109.5 . .
N1 C37 H37C 109.5 . .
H37A C37 H37B 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
S1 C34 H34A 109.5 . .
S1 C34 H34B 109.5 . .
S1 C34 H34C 109.5 . .
H34A C34 H34B 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1 2.457(3) .
Dy1 O1W 2.353(3) .
Dy1 O2 2.391(3) .
Dy1 O4 2.446(3) .
Dy1 O5 2.413(3) .
Dy1 O7 2.459(3) 2_676
Dy1 O8 2.405(3) .
Dy1 O8 2.529(3) 2_676
Dy1 O10 2.380(3) .
Dy1 C23 2.843(4) 2_676
S1 O10 1.464(6) .
S1 C35 1.991(8) .
S1 C34 1.760(19) .
O1 C1 1.238(6) .
O1W H1WA 0.8624 .
O1W H1WB 0.8630 .
O2 C1 1.286(5) .
O3 C9 1.366(6) .
O3 C10 1.440(6) .
O4 C12 1.248(6) .
O5 C12 1.294(5) .
O6 C20 1.350(7) .
O6 C21 1.438(7) .
O7 C23 1.264(6) .
O8 C23 1.291(5) .
O9 C31 1.361(7) .
O9 C32 1.431(6) .
O10 C36 1.260(8) .
N1 C36 1.323(11) .
N1 C35 1.369(10) .
N1 C37 1.452(10) .
C1 C2 1.484(6) .
C2 H2 0.9300 .
C2 C3 1.329(7) .
C3 H3 0.9300 .
C3 C4 1.470(6) .
C4 C5 1.403(7) .
C4 C9 1.422(6) .
C5 H5 0.9300 .
C5 C6 1.365(7) .
C6 H6 0.9300 .
C6 C7 1.386(8) .
C7 H7 0.9300 .
C7 C8 1.377(8) .
C8 H8 0.9300 .
C8 C9 1.396(7) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C10 C11 1.510(9) .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 C13 1.469(6) .
C13 H13 0.9300 .
C13 C14 1.325(7) .
C14 H14 0.9300 .
C14 C15 1.471(7) .
C15 C16 1.402(7) .
C15 C20 1.399(7) .
C16 H16 0.9300 .
C16 C17 1.387(7) .
C17 H17 0.9300 .
C17 C18 1.363(8) .
C18 H18 0.9300 .
C18 C19 1.381(8) .
C19 H19 0.9300 .
C19 C20 1.398(7) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C21 C22 1.493(10) .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 C24 1.458(6) .
C24 H24 0.9300 .
C24 C25 1.328(7) .
C25 H25 0.9300 .
C25 C26 1.472(7) .
C26 C27 1.405(8) .
C26 C31 1.409(7) .
C27 H27 0.9300 .
C27 C28 1.381(8) .
C28 H28 0.9300 .
C28 C29 1.385(9) .
C29 H29 0.9300 .
C29 C30 1.377(9) .
C30 H30 0.9300 .
C30 C31 1.386(7) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C32 C33 1.500(9) .
C33 H33A 0.9600 .
C33 H33B 0.9600 .
C33 H33C 0.9600 .
C36 H36 0.9300 .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
C35 H35D 0.9600 .
C35 H35E 0.9600 .
C35 H35F 0.9600 .
C37 H37A 0.9600 .
C37 H37B 0.9600 .
C37 H37C 0.9600 .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
