#------------------------------------------------------------------------------
#$Date: 2017-02-04 14:57:10 +0100 (Sat 04 de Feb de 2017) $
#$Revision: 191636 $
#$URL: svn://www.crystallography.net/cod/cif/7/04/13/7041324.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_7041324
loop_
_publ_author_name
'Zhang, Kun'
'Liu, Dan'
'Vieru, Veacheslav'
'Hou, Lei'
'Cui, Bin'
'Guo, Fu-Sheng'
'Chibotaru, Liviu F.'
'Wang, Yao-Yu'
_publ_section_title
;
 Transitions of two magnetic interaction states in dinuclear Dy(iii)
 complexes via subtle structural variations.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              638
_journal_page_last               642
_journal_paper_doi               10.1039/c6dt04490e
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C64 H58 Dy2 N4 O12'
_chemical_formula_sum            'C64 H58 Dy2 N4 O12'
_chemical_formula_weight         1400.14
_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
_atom_sites_solution_primary     direct
_audit_creation_date             2016-05-14
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_audit_update_record
;
2016-05-14 deposited with the CCDC.
2016-12-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.7601(18)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.2804(2)
_cell_length_b                   15.7016(3)
_cell_length_c                   15.5827(3)
_cell_measurement_reflns_used    6437
_cell_measurement_temperature    100.02(10)
_cell_measurement_theta_max      28.8110
_cell_measurement_theta_min      3.8510
_cell_volume                     2746.08(9)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_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 (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.02(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0714
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.846
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -94.00  -61.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663  178.0000 -120.0000 33

#__ type_ start__ end____ width___ exp.time_
  2 omega    6.00   80.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8601   57.0000   60.0000 74

#__ type_ start__ end____ width___ exp.time_
  3 omega  -48.00   69.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8601    0.0000 -120.0000 117
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0086994000
_diffrn_orient_matrix_UB_12      0.0422301000
_diffrn_orient_matrix_UB_13      0.0155120000
_diffrn_orient_matrix_UB_21      -0.0625132000
_diffrn_orient_matrix_UB_22      0.0066955000
_diffrn_orient_matrix_UB_23      -0.0049241000
_diffrn_orient_matrix_UB_31      -0.0035484000
_diffrn_orient_matrix_UB_32      -0.0145409000
_diffrn_orient_matrix_UB_33      0.0427566000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0333
_diffrn_reflns_av_unetI/netI     0.0542
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.846
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            12479
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.846
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.132
_diffrn_reflns_theta_min         3.358
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.771
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.77690
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.693
_exptl_crystal_description       block
_exptl_crystal_F_000             1396
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.815
_refine_diff_density_min         -1.039
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         6264
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0411
_refine_ls_R_factor_gt           0.0322
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0229P)²+0.4321P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0661
_refine_ls_wR_factor_ref         0.0706
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5270
_reflns_number_total             6264
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt04490e2.cif
_cod_data_source_block           dy
_cod_depositor_comments
'Adding full bibliography for 7041323--7041324.cif.'
_cod_original_cell_volume        2746.10(10)
_cod_database_code               7041324
_chemical_oxdiff_formula         'C64 H58 Dy2 N4 O12'
_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.
;
_reflns_odcompleteness_completeness 99.64
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12),
 C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C22(H22), C25(H25), C26(H26),
  C27(H27), C28(H28), C29(H29), C30(H30)
2.b Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
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
Dy1 Dy 0.52262(2) 0.61268(2) 0.54203(2) 0.01728(6) Uani 1 1 d .
O1 O 0.6238(2) 0.48737(13) 0.51443(13) 0.0185(5) Uani 1 1 d .
O2 O 0.5454(2) 0.75287(14) 0.55811(14) 0.0239(5) Uani 1 1 d .
O3 O 0.6542(2) 0.32279(14) 0.54112(15) 0.0256(6) Uani 1 1 d .
O4 O 0.6085(2) 0.56444(15) 0.67411(14) 0.0253(6) Uani 1 1 d .
O5 O 0.3809(2) 0.62146(14) 0.64013(14) 0.0222(5) Uani 1 1 d .
O6 O 0.5612(2) 0.63719(15) 0.39553(14) 0.0267(6) Uani 1 1 d .
N1 N 0.7364(3) 0.65651(17) 0.54305(16) 0.0198(6) Uani 1 1 d .
N2 N 0.6872(3) 0.67147(19) 0.29657(18) 0.0296(7) Uani 1 1 d .
C1 C 0.8318(3) 0.5165(2) 0.5627(2) 0.0231(8) Uani 1 1 d .
C2 C 0.7333(3) 0.4622(2) 0.5440(2) 0.0206(7) Uani 1 1 d .
C3 C 0.7541(3) 0.3737(2) 0.5573(2) 0.0237(8) Uani 1 1 d .
C4 C 0.8645(3) 0.3417(2) 0.5839(2) 0.0285(8) Uani 1 1 d .
H4 H 0.8750 0.2833 0.5911 0.034 Uiso 1 1 calc R
C5 C 0.9608(4) 0.3961(2) 0.6001(2) 0.0351(10) Uani 1 1 d .
H5 H 1.0361 0.3745 0.6177 0.042 Uiso 1 1 calc R
C6 C 0.9441(3) 0.4816(2) 0.5900(2) 0.0301(8) Uani 1 1 d .
H6 H 1.0089 0.5180 0.6015 0.036 Uiso 1 1 calc R
C7 C 0.8288(3) 0.6090(2) 0.5547(2) 0.0238(8) Uani 1 1 d .
H7 H 0.9021 0.6365 0.5585 0.029 Uiso 1 1 calc R
C8 C 0.7483(3) 0.7461(2) 0.5304(2) 0.0221(7) Uani 1 1 d .
C9 C 0.8505(3) 0.7873(2) 0.5089(2) 0.0290(9) Uani 1 1 d .
H9 H 0.9201 0.7564 0.5047 0.035 Uiso 1 1 calc R
C10 C 0.8485(4) 0.8752(2) 0.4934(2) 0.0334(10) Uani 1 1 d .
H10 H 0.9173 0.9031 0.4805 0.040 Uiso 1 1 calc R
C11 C 0.7438(4) 0.9205(2) 0.4974(2) 0.0291(9) Uani 1 1 d .
H11 H 0.7425 0.9787 0.4865 0.035 Uiso 1 1 calc R
C12 C 0.6408(4) 0.8799(2) 0.5175(2) 0.0264(8) Uani 1 1 d .
H12 H 0.5709 0.9111 0.5186 0.032 Uiso 1 1 calc R
C13 C 0.6407(3) 0.7925(2) 0.5360(2) 0.0214(7) Uani 1 1 d .
C14 C 0.6523(4) 0.2469(2) 0.5921(3) 0.0385(10) Uani 1 1 d .
H14A H 0.6710 0.2610 0.6519 0.058 Uiso 1 1 calc GR
H14B H 0.7101 0.2073 0.5747 0.058 Uiso 1 1 calc GR
H14C H 0.5744 0.2217 0.5839 0.058 Uiso 1 1 calc GR
C15 C 0.7772(3) 0.4817(2) 0.7880(2) 0.0253(8) Uani 1 1 d .
H15 H 0.8046 0.5250 0.7543 0.030 Uiso 1 1 calc R
C16 C 0.8579(4) 0.4296(2) 0.8343(2) 0.0311(9) Uani 1 1 d .
H16 H 0.9392 0.4380 0.8325 0.037 Uiso 1 1 calc R
C17 C 0.8166(4) 0.3637(2) 0.8846(3) 0.0358(10) Uani 1 1 d .
H17 H 0.8705 0.3292 0.9176 0.043 Uiso 1 1 calc R
C18 C 0.6968(4) 0.3505(2) 0.8845(3) 0.0367(10) Uani 1 1 d .
H18 H 0.6694 0.3058 0.9164 0.044 Uiso 1 1 calc R
C19 C 0.6155(3) 0.4032(2) 0.8375(2) 0.0279(8) Uani 1 1 d .
H19 H 0.5343 0.3930 0.8375 0.033 Uiso 1 1 calc R
C20 C 0.6543(3) 0.4707(2) 0.7906(2) 0.0239(8) Uani 1 1 d .
C21 C 0.5702(3) 0.5285(2) 0.7385(2) 0.0242(8) Uani 1 1 d .
C22 C 0.4541(3) 0.5429(2) 0.7626(2) 0.0258(8) Uani 1 1 d .
H22 H 0.4346 0.5193 0.8141 0.031 Uiso 1 1 calc R
C23 C 0.3683(3) 0.5900(2) 0.7142(2) 0.0216(7) Uani 1 1 d .
C24 C 0.2480(3) 0.6044(2) 0.7455(2) 0.0230(8) Uani 1 1 d .
C25 C 0.2133(3) 0.5687(2) 0.8214(2) 0.0300(9) Uani 1 1 d .
H25 H 0.2653 0.5328 0.8544 0.036 Uiso 1 1 calc R
C26 C 0.1023(4) 0.5861(2) 0.8479(3) 0.0322(9) Uani 1 1 d .
H26 H 0.0799 0.5611 0.8980 0.039 Uiso 1 1 calc R
C27 C 0.0254(4) 0.6396(2) 0.8011(2) 0.0325(9) Uani 1 1 d .
H27 H -0.0486 0.6516 0.8198 0.039 Uiso 1 1 calc R
C28 C 0.0573(3) 0.6759(2) 0.7263(2) 0.0329(9) Uani 1 1 d .
H28 H 0.0050 0.7125 0.6946 0.040 Uiso 1 1 calc R
C29 C 0.1668(3) 0.6579(2) 0.6984(2) 0.0292(8) Uani 1 1 d .
H29 H 0.1869 0.6818 0.6472 0.035 Uiso 1 1 calc R
C30 C 0.6472(3) 0.6199(2) 0.3552(2) 0.0231(8) Uani 1 1 d .
H30 H 0.6859 0.5683 0.3664 0.028 Uiso 1 1 calc R
C31 C 0.7826(4) 0.6458(3) 0.2474(2) 0.0409(10) Uani 1 1 d .
H31A H 0.8487 0.6840 0.2588 0.061 Uiso 1 1 calc GR
H31B H 0.7554 0.6472 0.1870 0.061 Uiso 1 1 calc GR
H31C H 0.8073 0.5890 0.2635 0.061 Uiso 1 1 calc GR
C32 C 0.6339(4) 0.7549(2) 0.2794(3) 0.0450(12) Uani 1 1 d .
H32A H 0.5774 0.7519 0.2291 0.067 Uiso 1 1 calc GR
H32B H 0.6950 0.7953 0.2697 0.067 Uiso 1 1 calc GR
H32C H 0.5940 0.7727 0.3279 0.067 Uiso 1 1 calc GR
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'
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
O1 Dy1 Dy1 36.98(6) . 3_666
O1 Dy1 Dy1 36.15(5) 3_666 3_666
O1 Dy1 O1 73.13(9) . 3_666
O1 Dy1 O3 128.99(8) . 3_666
O1 Dy1 O3 65.53(7) 3_666 3_666
O1 Dy1 O6 79.70(7) . .
O1 Dy1 O6 86.53(8) 3_666 .
O1 Dy1 N1 75.23(8) . .
O1 Dy1 N1 144.50(8) 3_666 .
O2 Dy1 Dy1 166.31(6) . 3_666
O2 Dy1 O1 139.56(8) . 3_666
O2 Dy1 O1 143.13(8) . .
O2 Dy1 O3 74.52(8) . 3_666
O2 Dy1 O4 100.97(8) . .
O2 Dy1 O5 86.95(8) . .
O2 Dy1 O6 85.32(8) . .
O2 Dy1 N1 68.14(9) . .
O3 Dy1 Dy1 97.32(5) 3_666 3_666
O3 Dy1 N1 127.82(8) 3_666 .
O4 Dy1 Dy1 91.82(6) . 3_666
O4 Dy1 O1 109.01(8) . 3_666
O4 Dy1 O1 73.69(8) . .
O4 Dy1 O3 147.25(8) . 3_666
O4 Dy1 O5 71.85(8) . .
O4 Dy1 O6 143.13(9) . .
O4 Dy1 N1 76.54(8) . .
O5 Dy1 Dy1 101.84(5) . 3_666
O5 Dy1 O1 77.59(7) . 3_666
O5 Dy1 O1 123.50(7) . .
O5 Dy1 O3 75.50(8) . 3_666
O5 Dy1 O6 145.02(9) . .
O5 Dy1 N1 134.78(8) . .
O6 Dy1 Dy1 81.47(6) . 3_666
O6 Dy1 O3 69.55(8) . 3_666
O6 Dy1 N1 72.27(9) . .
N1 Dy1 Dy1 110.77(6) . 3_666
Dy1 O1 Dy1 106.87(9) . 3_666
C2 O1 Dy1 121.0(2) . 3_666
C2 O1 Dy1 129.6(2) . .
C13 O2 Dy1 121.7(2) . .
C3 O3 Dy1 117.15(18) . 3_666
C3 O3 C14 115.8(3) . .
C14 O3 Dy1 124.9(2) . 3_666
C21 O4 Dy1 134.9(2) . .
C23 O5 Dy1 135.9(2) . .
C30 O6 Dy1 132.4(2) . .
C7 N1 Dy1 127.6(2) . .
C7 N1 C8 120.5(3) . .
C8 N1 Dy1 111.9(2) . .
C30 N2 C31 121.2(3) . .
C30 N2 C32 120.7(3) . .
C31 N2 C32 118.1(3) . .
C2 C1 C7 125.1(3) . .
C6 C1 C2 119.7(3) . .
C6 C1 C7 115.2(3) . .
O1 C2 C1 125.2(3) . .
O1 C2 C3 118.3(3) . .
C1 C2 C3 116.6(3) . .
O3 C3 C2 114.8(3) . .
C4 C3 O3 122.9(3) . .
C4 C3 C2 122.3(4) . .
C3 C4 H4 119.9 . .
C3 C4 C5 120.2(3) . .
C5 C4 H4 119.9 . .
C4 C5 H5 120.3 . .
C6 C5 C4 119.3(4) . .
C6 C5 H5 120.3 . .
C1 C6 H6 119.1 . .
C5 C6 C1 121.9(4) . .
C5 C6 H6 119.1 . .
N1 C7 C1 127.2(3) . .
N1 C7 H7 116.4 . .
C1 C7 H7 116.4 . .
C9 C8 N1 125.6(3) . .
C9 C8 C13 120.6(3) . .
C13 C8 N1 113.7(3) . .
C8 C9 H9 120.0 . .
C8 C9 C10 119.9(4) . .
C10 C9 H9 120.0 . .
C9 C10 H10 120.1 . .
C11 C10 C9 119.8(3) . .
C11 C10 H10 120.1 . .
C10 C11 H11 119.6 . .
C10 C11 C12 120.7(3) . .
C12 C11 H11 119.6 . .
C11 C12 H12 119.5 . .
C11 C12 C13 120.9(4) . .
C13 C12 H12 119.5 . .
O2 C13 C8 119.8(3) . .
O2 C13 C12 122.3(3) . .
C12 C13 C8 118.0(3) . .
O3 C14 H14A 109.5 . .
O3 C14 H14B 109.5 . .
O3 C14 H14C 109.5 . .
H14A C14 H14B 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C16 C15 H15 119.4 . .
C16 C15 C20 121.2(3) . .
C20 C15 H15 119.4 . .
C15 C16 H16 120.3 . .
C15 C16 C17 119.5(4) . .
C17 C16 H16 120.3 . .
C16 C17 H17 120.2 . .
C18 C17 C16 119.6(4) . .
C18 C17 H17 120.2 . .
C17 C18 H18 119.7 . .
C17 C18 C19 120.7(4) . .
C19 C18 H18 119.7 . .
C18 C19 H19 119.7 . .
C20 C19 C18 120.5(4) . .
C20 C19 H19 119.7 . .
C15 C20 C21 119.1(3) . .
C19 C20 C15 118.4(3) . .
C19 C20 C21 122.4(3) . .
O4 C21 C20 117.0(3) . .
O4 C21 C22 122.5(3) . .
C22 C21 C20 120.5(3) . .
C21 C22 H22 118.1 . .
C23 C22 C21 123.8(3) . .
C23 C22 H22 118.1 . .
O5 C23 C22 124.5(3) . .
O5 C23 C24 114.9(3) . .
C22 C23 C24 120.6(3) . .
C25 C24 C23 123.5(3) . .
C29 C24 C23 119.0(3) . .
C29 C24 C25 117.5(3) . .
C24 C25 H25 119.6 . .
C26 C25 C24 120.7(4) . .
C26 C25 H25 119.6 . .
C25 C26 H26 119.8 . .
C27 C26 C25 120.5(4) . .
C27 C26 H26 119.8 . .
C26 C27 H27 120.0 . .
C26 C27 C28 120.1(4) . .
C28 C27 H27 120.0 . .
C27 C28 H28 120.0 . .
C27 C28 C29 120.0(4) . .
C29 C28 H28 120.0 . .
C24 C29 H29 119.4 . .
C28 C29 C24 121.3(3) . .
C28 C29 H29 119.4 . .
O6 C30 N2 123.5(3) . .
O6 C30 H30 118.3 . .
N2 C30 H30 118.3 . .
N2 C31 H31A 109.5 . .
N2 C31 H31B 109.5 . .
N2 C31 H31C 109.5 . .
H31A C31 H31B 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
N2 C32 H32A 109.5 . .
N2 C32 H32B 109.5 . .
N2 C32 H32C 109.5 . .
H32A C32 H32B 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 Dy1 3.7900(3) 3_666
Dy1 O1 2.383(2) 3_666
Dy1 O1 2.336(2) .
Dy1 O2 2.227(2) .
Dy1 O3 2.483(2) 3_666
Dy1 O4 2.313(2) .
Dy1 O5 2.324(2) .
Dy1 O6 2.398(2) .
Dy1 N1 2.506(3) .
O1 Dy1 2.383(2) 3_666
O1 C2 1.335(4) .
O2 C13 1.317(4) .
O3 Dy1 2.483(2) 3_666
O3 C3 1.384(4) .
O3 C14 1.434(4) .
O4 C21 1.264(4) .
O5 C23 1.276(4) .
O6 C30 1.237(4) .
N1 C7 1.280(4) .
N1 C8 1.429(4) .
N2 C30 1.333(4) .
N2 C31 1.441(5) .
N2 C32 1.455(5) .
C1 C2 1.407(5) .
C1 C6 1.407(5) .
C1 C7 1.458(4) .
C2 C3 1.421(4) .
C3 C4 1.368(5) .
C4 H4 0.9300 .
C4 C5 1.384(5) .
C5 H5 0.9300 .
C5 C6 1.363(5) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C9 1.392(5) .
C8 C13 1.425(5) .
C9 H9 0.9300 .
C9 C10 1.402(5) .
C10 H10 0.9300 .
C10 C11 1.385(5) .
C11 H11 0.9300 .
C11 C12 1.389(5) .
C12 H12 0.9300 .
C12 C13 1.402(4) .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 H15 0.9300 .
C15 C16 1.373(5) .
C15 C20 1.401(5) .
C16 H16 0.9300 .
C16 C17 1.405(5) .
C17 H17 0.9300 .
C17 C18 1.367(6) .
C18 H18 0.9300 .
C18 C19 1.389(5) .
C19 H19 0.9300 .
C19 C20 1.384(4) .
C20 C21 1.492(5) .
C21 C22 1.417(5) .
C22 H22 0.9300 .
C22 C23 1.381(5) .
C23 C24 1.505(5) .
C24 C25 1.400(5) .
C24 C29 1.395(5) .
C25 H25 0.9300 .
C25 C26 1.384(5) .
C26 H26 0.9300 .
C26 C27 1.365(5) .
C27 H27 0.9300 .
C27 C28 1.378(5) .
C28 H28 0.9300 .
C28 C29 1.380(5) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
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
Dy1 O1 C2 C1 -33.3(4) .
Dy1 O1 C2 C1 166.9(2) 3_666
Dy1 O1 C2 C3 147.4(2) .
Dy1 O1 C2 C3 -12.4(4) 3_666
Dy1 O2 C13 C8 -22.3(4) .
Dy1 O2 C13 C12 157.7(2) .
Dy1 O3 C3 C2 15.6(3) 3_666
Dy1 O3 C3 C4 -164.3(3) 3_666
Dy1 O4 C21 C20 150.6(2) .
Dy1 O4 C21 C22 -31.0(5) .
Dy1 O5 C23 C22 7.1(5) .
Dy1 O5 C23 C24 -170.3(2) .
Dy1 O6 C30 N2 -141.9(3) .
Dy1 N1 C7 C1 5.9(5) .
Dy1 N1 C8 C9 -164.9(3) .
Dy1 N1 C8 C13 10.9(3) .
O1 C2 C3 O3 -2.8(4) .
O1 C2 C3 C4 177.1(3) .
O3 C3 C4 C5 -179.2(3) .
O4 C21 C22 C23 6.8(6) .
O5 C23 C24 C25 174.2(3) .
O5 C23 C24 C29 -7.6(5) .
N1 C8 C9 C10 176.3(3) .
N1 C8 C13 O2 5.2(4) .
N1 C8 C13 C12 -174.8(3) .
C1 C2 C3 O3 177.9(3) .
C1 C2 C3 C4 -2.3(5) .
C2 C1 C6 C5 -0.8(5) .
C2 C1 C7 N1 11.7(5) .
C2 C3 C4 C5 1.0(5) .
C3 C4 C5 C6 0.5(5) .
C4 C5 C6 C1 -0.6(5) .
C6 C1 C2 O1 -177.2(3) .
C6 C1 C2 C3 2.1(4) .
C6 C1 C7 N1 -169.4(3) .
C7 N1 C8 C9 16.3(5) .
C7 N1 C8 C13 -167.9(3) .
C7 C1 C2 O1 1.7(5) .
C7 C1 C2 C3 -179.0(3) .
C7 C1 C6 C5 -179.8(3) .
C8 N1 C7 C1 -175.6(3) .
C8 C9 C10 C11 -1.7(6) .
C9 C8 C13 O2 -178.7(3) .
C9 C8 C13 C12 1.3(5) .
C9 C10 C11 C12 0.7(6) .
C10 C11 C12 C13 1.4(5) .
C11 C12 C13 O2 177.7(3) .
C11 C12 C13 C8 -2.3(5) .
C13 C8 C9 C10 0.7(5) .
C14 O3 C3 C2 -148.8(3) .
C14 O3 C3 C4 31.3(5) .
C15 C16 C17 C18 2.0(6) .
C15 C20 C21 O4 23.1(5) .
C15 C20 C21 C22 -155.4(3) .
C16 C15 C20 C19 -3.3(5) .
C16 C15 C20 C21 -179.5(3) .
C16 C17 C18 C19 -1.9(6) .
C17 C18 C19 C20 -0.8(6) .
C18 C19 C20 C15 3.4(5) .
C18 C19 C20 C21 179.5(3) .
C19 C20 C21 O4 -152.9(3) .
C19 C20 C21 C22 28.6(5) .
C20 C15 C16 C17 0.6(5) .
C20 C21 C22 C23 -174.8(3) .
C21 C22 C23 O5 4.4(6) .
C21 C22 C23 C24 -178.3(3) .
C22 C23 C24 C25 -3.3(5) .
C22 C23 C24 C29 175.0(3) .
C23 C24 C25 C26 178.4(3) .
C23 C24 C29 C28 -177.3(3) .
C24 C25 C26 C27 -1.1(6) .
C25 C24 C29 C28 1.0(5) .
C25 C26 C27 C28 0.9(6) .
C26 C27 C28 C29 0.2(6) .
C27 C28 C29 C24 -1.2(6) .
C29 C24 C25 C26 0.1(5) .
C31 N2 C30 O6 -175.8(3) .
C32 N2 C30 O6 3.0(5) .
