#------------------------------------------------------------------------------
#$Date: 2021-11-29 11:06:08 +0200 (Mon, 29 Nov 2021) $
#$Revision: 270904 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/54/1565413.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_1565413
loop_
_publ_author_name
'Li, Rong-fang'
'Zhang, Ya-wen'
'Liu, Xin-fang'
'Chang, Xin-hong'
'Feng, Xun'
_publ_section_title
;
 The synthesis, structural elucidation and fluorescent sensitization
 detection to Hg2+ based on two lanthanide-organic complexes
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119370
_journal_paper_doi               10.1016/j.ica.2019.119370
_journal_volume                  502
_journal_year                    2020
_chemical_formula_moiety         'C36 H24 Dy2 N6 O15, H2 O'
_chemical_formula_sum            'C36 H27 Dy2 N6 O16'
_chemical_formula_weight         1124.63
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_cell_angle_alpha                94.986(2)
_cell_angle_beta                 103.496(2)
_cell_angle_gamma                101.309(2)
_cell_formula_units_Z            2
_cell_length_a                   11.3536(3)
_cell_length_b                   12.1823(3)
_cell_length_c                   14.2259(4)
_cell_measurement_reflns_used    12218
_cell_measurement_temperature    290.8(3)
_cell_measurement_theta_max      28.9770
_cell_measurement_theta_min      3.7760
_cell_volume                     1857.89(9)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_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      air
_diffrn_ambient_temperature      290.8(3)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0584
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.878
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -85.00   3.00   1.00    3.92    --  -15.84 -38.00-150.00   88
  2  ω    -68.00   1.00   1.00    3.92    --  -15.84 122.00  80.36   69
  3  ω    -10.00  84.00   1.00    3.92    --   16.93  77.00 -30.00   94
  4  ω     44.00  76.00   1.00    3.92    --   16.93-134.00 -58.00   32
  5  ω    -20.00  56.00   1.00    3.92    --   16.93 -99.00  30.00   76
  6  ω    -48.00  30.00   1.00    3.92    --   16.93 -77.00-150.00   78
  7  ω      7.00  84.00   1.00    3.92    --   16.93  57.00  90.00   77
  8  ω    -49.00  34.00   1.00    3.92    --   16.93 -38.00 -90.00   83
  9  ω     -9.00  84.00   1.00    3.92    --   16.93  77.00-180.00   93
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'SuperNova, Single source at offset/far, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0090612000
_diffrn_orient_matrix_UB_12      0.0144921000
_diffrn_orient_matrix_UB_13      0.0467708000
_diffrn_orient_matrix_UB_21      -0.0581349000
_diffrn_orient_matrix_UB_22      0.0116857000
_diffrn_orient_matrix_UB_23      -0.0222158000
_diffrn_orient_matrix_UB_31      -0.0297121000
_diffrn_orient_matrix_UB_32      -0.0569970000
_diffrn_orient_matrix_UB_33      -0.0002421000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0475
_diffrn_reflns_av_unetI/netI     0.0571
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.878
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            29028
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.878
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.312
_diffrn_reflns_theta_min         3.444
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    4.076
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.23134
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.010
_exptl_crystal_description       block
_exptl_crystal_F_000             1090
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.207
_refine_diff_density_min         -1.271
_refine_diff_density_rms         0.146
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     547
_refine_ls_number_reflns         8937
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0346
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0288P)²+0.3376P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0675
_refine_ls_wR_factor_ref         0.0722
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7394
_reflns_number_total             8937
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            Dy-2.cif
_cod_data_source_block           lrf-p4-dy
_cod_database_code               1565413
_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 99.80
_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 O(H,H) groups
2.a Free rotating group:
 O16(H16a,H16b)
2.b Rotating group:
 O3(H3a,H3b), O14(H14a,H14b), O15(H15a,H15b)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C5(H5), C8(H8), C10(H10), C11(H11), C15(H15), C17(H17),
 C18(H18), C21(H21), C23(H23), C24(H24), C26(H26), C28(H28), C29(H29), C32(H32),
  C34(H34), C35(H35)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.117
_oxdiff_exptl_absorpt_empirical_full_min 0.294
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_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.39425(2) 0.83387(2) 0.36512(2) 0.01357(6) Uani 1 1 d . . . . .
Dy2 Dy -0.20622(2) 0.36404(2) 0.88941(2) 0.01713(6) Uani 1 1 d . . . . .
O1 O 0.6028(3) 0.7866(4) 0.2054(3) 0.0701(14) Uani 1 1 d . . . . .
O2 O 0.5871(3) 0.8075(2) 0.3570(2) 0.0269(7) Uani 1 1 d . . . . .
O3 O 0.2905(3) 0.9849(2) 0.3933(2) 0.0226(7) Uani 1 1 d . . . . .
H3A H 0.3318 1.0297 0.4466 0.034 Uiso 1 1 d GR . . . .
H3B H 0.2199 0.9574 0.4052 0.034 Uiso 1 1 d GR . . . .
O4 O 0.4371(3) 0.8632(2) 0.5281(2) 0.0212(7) Uani 1 1 d . . . . .
O5 O 0.4878(3) 0.9972(2) 0.6556(2) 0.0230(7) Uani 1 1 d . . . . .
O6 O -0.1940(2) 0.2449(2) 0.6337(2) 0.0233(7) Uani 1 1 d . . . . .
O7 O -0.0985(3) 0.3616(3) 0.7711(2) 0.0332(8) Uani 1 1 d . . . . .
O8 O -0.4018(3) 0.3504(2) 0.5843(2) 0.0265(7) Uani 1 1 d . . . . .
O9 O -0.3454(3) 0.3754(2) 0.7439(2) 0.0271(7) Uani 1 1 d . . . . .
O10 O -0.2952(3) 1.1634(2) 0.8039(2) 0.0193(6) Uani 1 1 d . . . . .
O11 O -0.2408(3) 1.1943(2) 0.9638(2) 0.0310(8) Uani 1 1 d . . . . .
O12 O -0.1430(3) 0.5546(2) 0.8977(2) 0.0303(8) Uani 1 1 d . . . . .
O13 O -0.0054(3) 0.6240(2) 1.0396(2) 0.0253(7) Uani 1 1 d . . . . .
O14 O -0.4028(3) 0.3542(3) 0.9149(3) 0.0484(10) Uani 1 1 d . . . . .
H14A H -0.4575 0.3248 0.8624 0.073 Uiso 1 1 d GR . . . .
H14B H -0.4132 0.4210 0.9256 0.073 Uiso 1 1 d GR . . . .
O15 O -0.1731(3) 0.4284(2) 1.0616(2) 0.0317(8) Uani 1 1 d . . . . .
H15A H -0.2398 0.4439 1.0724 0.048 Uiso 1 1 d GR . . . .
H15B H -0.1201 0.4921 1.0774 0.048 Uiso 1 1 d GR . . . .
N1 N 1.0417(3) 0.9537(3) 0.3906(3) 0.0216(8) Uani 1 1 d . . . . .
N2 N 0.2315(4) 0.6841(3) 0.7722(3) 0.0333(10) Uani 1 1 d . . . . .
N3 N 0.1721(4) 0.4855(3) 0.5552(3) 0.0323(10) Uani 1 1 d . . . . .
N4 N -0.3423(3) 0.7689(3) 0.6524(3) 0.0213(8) Uani 1 1 d . . . . .
N5 N -0.3738(4) 0.7722(3) 0.8984(3) 0.0331(10) Uani 1 1 d . . . . .
N6 N 0.0003(4) 0.9648(3) 0.8745(3) 0.0348(10) Uani 1 1 d . . . . .
C1 C 0.2339(4) 0.6481(3) 0.6810(3) 0.0225(10) Uani 1 1 d . . . . .
C2 C 0.2987(4) 0.7138(3) 0.6263(3) 0.0191(9) Uani 1 1 d . . . . .
H2 H 0.3004 0.6848 0.5641 0.023 Uiso 1 1 calc R . . . .
C3 C 0.3609(4) 0.8240(3) 0.6666(3) 0.0183(9) Uani 1 1 d . . . . .
C4 C 0.3561(4) 0.8622(4) 0.7589(3) 0.0327(12) Uani 1 1 d . . . . .
H4 H 0.3949 0.9361 0.7870 0.039 Uiso 1 1 calc R . . . .
C5 C 0.2934(5) 0.7904(4) 0.8101(4) 0.0391(13) Uani 1 1 d . . . . .
H5 H 0.2940 0.8168 0.8735 0.047 Uiso 1 1 calc R . . . .
C6 C 0.4335(3) 0.9001(3) 0.6119(3) 0.0144(8) Uani 1 1 d . . . . .
C7 C 0.1548(4) 0.5323(3) 0.6375(3) 0.0220(10) Uani 1 1 d . . . . .
C8 C 0.0659(4) 0.4819(3) 0.6816(3) 0.0211(9) Uani 1 1 d . . . . .
H8 H 0.0575 0.5168 0.7397 0.025 Uiso 1 1 calc R . . . .
C9 C -0.0110(4) 0.3776(3) 0.6372(3) 0.0179(9) Uani 1 1 d . . . . .
C10 C 0.0047(4) 0.3300(3) 0.5509(3) 0.0244(10) Uani 1 1 d . . . . .
H10 H -0.0463 0.2614 0.5185 0.029 Uiso 1 1 calc R . . . .
C11 C 0.0972(4) 0.3858(3) 0.5137(4) 0.0328(12) Uani 1 1 d . . . . .
H11 H 0.1083 0.3521 0.4562 0.039 Uiso 1 1 calc R . . . .
C12 C -0.1086(4) 0.3244(3) 0.6844(3) 0.0194(9) Uani 1 1 d . . . . .
C13 C 0.6465(4) 0.8144(4) 0.2943(4) 0.0304(11) Uani 1 1 d . . . . .
C14 C 0.7855(4) 0.8643(3) 0.3286(3) 0.0240(10) Uani 1 1 d . . . . .
C15 C 0.8411(4) 0.9231(3) 0.4216(3) 0.0241(10) Uani 1 1 d . . . . .
H15 H 0.7927 0.9325 0.4648 0.029 Uiso 1 1 calc R . . . .
C16 C 0.9686(4) 0.9682(3) 0.4506(3) 0.0199(9) Uani 1 1 d . . . . .
C17 C 0.9878(4) 0.8963(3) 0.3018(3) 0.0245(10) Uani 1 1 d . . . . .
H17 H 1.0386 0.8859 0.2606 0.029 Uiso 1 1 calc R . . . .
C18 C 0.8612(4) 0.8509(4) 0.2664(3) 0.0283(11) Uani 1 1 d . . . . .
H18 H 0.8282 0.8128 0.2033 0.034 Uiso 1 1 calc R . . . .
C19 C -0.0664(4) 0.6337(3) 0.9567(3) 0.0223(10) Uani 1 1 d . . . . .
C20 C -0.0473(4) 0.7487(3) 0.9248(3) 0.0227(10) Uani 1 1 d . . . . .
C21 C -0.0308(4) 0.8427(3) 0.9927(3) 0.0240(10) Uani 1 1 d . . . . .
H21 H -0.0347 0.8345 1.0564 0.029 Uiso 1 1 calc R . . . .
C22 C -0.0085(4) 0.9482(3) 0.9644(3) 0.0236(10) Uani 1 1 d . . . . .
C23 C -0.0151(5) 0.8730(4) 0.8104(4) 0.0397(14) Uani 1 1 d . . . . .
H23 H -0.0075 0.8831 0.7479 0.048 Uiso 1 1 calc R . . . .
C24 C -0.0416(4) 0.7642(3) 0.8317(3) 0.0318(12) Uani 1 1 d . . . . .
H24 H -0.0553 0.7027 0.7839 0.038 Uiso 1 1 calc R . . . .
C25 C -0.3453(4) 0.8102(3) 0.8198(3) 0.0210(9) Uani 1 1 d . . . . .
C26 C -0.3139(4) 0.9258(3) 0.8144(3) 0.0200(9) Uani 1 1 d . . . . .
H26 H -0.2930 0.9508 0.7592 0.024 Uiso 1 1 calc R . . . .
C27 C -0.3143(4) 1.0027(3) 0.8918(3) 0.0200(9) Uani 1 1 d . . . . .
C28 C -0.3424(5) 0.9629(4) 0.9736(4) 0.0376(13) Uani 1 1 d . . . . .
H28 H -0.3424 1.0123 1.0272 0.045 Uiso 1 1 calc R . . . .
C29 C -0.3705(5) 0.8477(4) 0.9735(4) 0.0434(15) Uani 1 1 d . . . . .
H29 H -0.3882 0.8208 1.0290 0.052 Uiso 1 1 calc R . . . .
C30 C -0.2827(4) 1.1272(3) 0.8867(3) 0.0203(9) Uani 1 1 d . . . . .
C31 C -0.3495(4) 0.7261(3) 0.7360(3) 0.0200(9) Uani 1 1 d . . . . .
C32 C -0.3603(4) 0.6127(3) 0.7428(3) 0.0200(9) Uani 1 1 d . . . . .
H32 H -0.3654 0.5856 0.8012 0.024 Uiso 1 1 calc R . . . .
C33 C -0.3636(3) 0.5392(3) 0.6615(3) 0.0182(9) Uani 1 1 d . . . . .
C34 C -0.3581(4) 0.5820(3) 0.5760(3) 0.0215(9) Uani 1 1 d . . . . .
H34 H -0.3618 0.5348 0.5198 0.026 Uiso 1 1 calc R . . . .
C35 C -0.3468(4) 0.6974(3) 0.5755(3) 0.0241(10) Uani 1 1 d . . . . .
H35 H -0.3421 0.7262 0.5177 0.029 Uiso 1 1 calc R . . . .
C36 C -0.3712(3) 0.4139(3) 0.6643(3) 0.0191(9) Uani 1 1 d . . . . .
O16 O -0.4637(6) 0.4222(4) 1.0763(5) 0.0928(18) Uani 1 1 d . . . . .
H16A H -0.4461 0.3650 1.0484 0.139 Uiso 1 1 d G . . . .
H16B H -0.5159 0.3941 1.1067 0.139 Uiso 1 1 d G . . . .
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
O2 Dy1 O3 140.21(9) . .
O2 Dy1 O5 71.28(10) . 2_676
O2 Dy1 O8 75.19(11) . 2_566
O2 Dy1 O9 75.81(9) . 2_566
O2 Dy1 O10 101.96(11) . 2_576
O2 Dy1 C36 73.91(10) . 2_566
O3 Dy1 O8 137.53(10) . 2_566
O3 Dy1 O9 139.71(9) . 2_566
O3 Dy1 C36 145.75(10) . 2_566
O4 Dy1 O2 96.05(11) . .
O4 Dy1 O3 77.96(10) . .
O4 Dy1 O5 97.60(10) . 2_676
O4 Dy1 O6 87.07(10) . 2_566
O4 Dy1 O8 74.86(9) . 2_566
O4 Dy1 O9 124.17(9) . 2_566
O4 Dy1 O10 160.56(10) . 2_576
O4 Dy1 C36 99.20(11) . 2_566
O5 Dy1 O3 70.65(10) 2_676 .
O5 Dy1 O8 144.63(10) 2_676 2_566
O5 Dy1 O9 128.85(10) 2_676 2_566
O5 Dy1 O10 81.52(9) 2_676 2_576
O5 Dy1 C36 142.62(11) 2_676 2_566
O6 Dy1 O2 148.16(10) 2_566 .
O6 Dy1 O3 71.46(9) 2_566 .
O6 Dy1 O5 139.85(10) 2_566 2_676
O6 Dy1 O8 75.12(10) 2_566 2_566
O6 Dy1 O9 76.31(9) 2_566 2_566
O6 Dy1 O10 81.51(10) 2_566 2_576
O6 Dy1 C36 74.31(10) 2_566 2_566
O8 Dy1 O9 49.46(9) 2_566 2_566
O8 Dy1 C36 24.40(10) 2_566 2_566
O9 Dy1 C36 25.06(10) 2_566 2_566
O10 Dy1 O3 83.49(9) 2_576 .
O10 Dy1 O8 116.72(9) 2_576 2_566
O10 Dy1 O9 68.22(8) 2_576 2_566
O10 Dy1 C36 92.82(10) 2_576 2_566
O7 Dy2 O9 73.83(11) . .
O7 Dy2 O10 79.59(10) . 1_545
O7 Dy2 O11 116.36(11) . 1_545
O7 Dy2 O13 69.51(11) . 2_567
O7 Dy2 O14 143.80(11) . .
O7 Dy2 O15 140.46(10) . .
O7 Dy2 C30 98.59(12) . 1_545
O9 Dy2 O10 73.40(9) . 1_545
O9 Dy2 O11 118.46(10) . 1_545
O9 Dy2 O13 142.59(11) . 2_567
O9 Dy2 O15 137.04(11) . .
O9 Dy2 C30 96.70(11) . 1_545
O10 Dy2 C30 26.78(10) 1_545 1_545
O11 Dy2 O10 52.55(9) 1_545 1_545
O11 Dy2 O15 74.77(10) 1_545 .
O11 Dy2 C30 25.77(10) 1_545 1_545
O12 Dy2 O7 82.91(11) . .
O12 Dy2 O9 85.13(10) . .
O12 Dy2 O10 155.32(10) . 1_545
O12 Dy2 O11 152.13(10) . 1_545
O12 Dy2 O13 83.27(10) . 2_567
O12 Dy2 O14 99.52(13) . .
O12 Dy2 O15 77.70(11) . .
O12 Dy2 C30 177.90(11) . 1_545
O13 Dy2 O10 106.40(9) 2_567 1_545
O13 Dy2 O11 85.15(10) 2_567 1_545
O13 Dy2 O15 74.22(11) 2_567 .
O13 Dy2 C30 95.85(10) 2_567 1_545
O14 Dy2 O9 70.44(12) . .
O14 Dy2 O10 84.86(11) . 1_545
O14 Dy2 O11 77.07(13) . 1_545
O14 Dy2 O13 146.66(12) . 2_567
O14 Dy2 O15 74.00(11) . .
O14 Dy2 C30 80.16(13) . 1_545
O15 Dy2 O10 126.50(10) . 1_545
O15 Dy2 C30 100.23(11) . 1_545
C13 O2 Dy1 134.9(3) . .
Dy1 O3 H3A 110.5 . .
Dy1 O3 H3B 109.9 . .
H3A O3 H3B 103.6 . .
C6 O4 Dy1 159.9(3) . .
C6 O5 Dy1 142.2(3) . 2_676
C12 O6 Dy1 135.8(3) . 2_566
C12 O7 Dy2 143.0(3) . .
C36 O8 Dy1 102.5(2) . 2_566
Dy2 O9 Dy1 105.20(10) . 2_566
C36 O9 Dy1 86.9(2) . 2_566
C36 O9 Dy2 151.3(3) . .
Dy1 O10 Dy2 109.64(10) 2_576 1_565
C30 O10 Dy1 155.6(2) . 2_576
C30 O10 Dy2 90.1(2) . 1_565
C30 O11 Dy2 96.8(3) . 1_565
C19 O12 Dy2 136.8(3) . .
C19 O13 Dy2 134.2(3) . 2_567
Dy2 O14 H14A 109.3 . .
Dy2 O14 H14B 108.9 . .
H14A O14 H14B 104.5 . .
Dy2 O15 H15A 110.0 . .
Dy2 O15 H15B 109.4 . .
H15A O15 H15B 104.0 . .
C17 N1 C16 117.8(4) . .
C1 N2 C5 117.0(4) . .
C7 N3 C11 117.1(4) . .
C35 N4 C31 117.6(3) . .
C25 N5 C29 118.3(4) . .
C22 N6 C23 117.1(4) . .
N2 C1 C2 123.4(4) . .
N2 C1 C7 115.7(4) . .
C2 C1 C7 120.8(4) . .
C1 C2 H2 120.7 . .
C1 C2 C3 118.5(4) . .
C3 C2 H2 120.7 . .
C2 C3 C6 121.6(4) . .
C4 C3 C2 118.3(4) . .
C4 C3 C6 120.2(3) . .
C3 C4 H4 120.1 . .
C3 C4 C5 119.8(4) . .
C5 C4 H4 120.1 . .
N2 C5 C4 123.0(4) . .
N2 C5 H5 118.5 . .
C4 C5 H5 118.5 . .
O4 C6 O5 124.6(4) . .
O4 C6 C3 119.0(3) . .
O5 C6 C3 116.4(4) . .
N3 C7 C1 117.2(4) . .
N3 C7 C8 123.2(3) . .
C8 C7 C1 119.5(4) . .
C7 C8 H8 120.7 . .
C7 C8 C9 118.6(4) . .
C9 C8 H8 120.7 . .
C8 C9 C12 118.4(4) . .
C10 C9 C8 118.3(4) . .
C10 C9 C12 123.3(3) . .
C9 C10 H10 120.6 . .
C11 C10 C9 118.7(4) . .
C11 C10 H10 120.6 . .
N3 C11 C10 123.9(4) . .
N3 C11 H11 118.0 . .
C10 C11 H11 118.0 . .
O6 C12 C9 117.4(4) . .
O7 C12 O6 125.1(4) . .
O7 C12 C9 117.6(3) . .
O1 C13 O2 125.9(4) . .
O1 C13 C14 116.5(5) . .
O2 C13 C14 117.6(4) . .
C15 C14 C13 122.0(4) . .
C15 C14 C18 118.0(4) . .
C18 C14 C13 120.0(4) . .
C14 C15 H15 119.7 . .
C14 C15 C16 120.6(4) . .
C16 C15 H15 119.7 . .
N1 C16 C15 121.1(4) . .
N1 C16 C16 116.7(4) . 2_776
C15 C16 C16 122.2(5) . 2_776
N1 C17 H17 117.7 . .
N1 C17 C18 124.7(4) . .
C18 C17 H17 117.7 . .
C14 C18 H18 121.1 . .
C17 C18 C14 117.7(4) . .
C17 C18 H18 121.1 . .
O12 C19 C20 117.2(4) . .
O13 C19 O12 125.2(4) . .
O13 C19 C20 117.6(3) . .
C21 C20 C19 118.9(4) . .
C24 C20 C19 122.2(4) . .
C24 C20 C21 118.8(4) . .
C20 C21 H21 120.6 . .
C22 C21 C20 118.8(4) . .
C22 C21 H21 120.6 . .
N6 C22 C21 123.0(4) . .
N6 C22 C22 116.6(5) . 2_577
C21 C22 C22 120.3(5) . 2_577
N6 C23 H23 118.1 . .
N6 C23 C24 123.8(5) . .
C24 C23 H23 118.1 . .
C20 C24 C23 118.4(4) . .
C20 C24 H24 120.8 . .
C23 C24 H24 120.8 . .
N5 C25 C26 121.5(4) . .
N5 C25 C31 118.3(3) . .
C26 C25 C31 120.2(4) . .
C25 C26 H26 120.3 . .
C27 C26 C25 119.4(4) . .
C27 C26 H26 120.3 . .
C26 C27 C30 120.2(4) . .
C28 C27 C26 118.9(4) . .
C28 C27 C30 121.0(4) . .
C27 C28 H28 121.0 . .
C29 C28 C27 118.0(4) . .
C29 C28 H28 121.0 . .
N5 C29 C28 123.9(5) . .
N5 C29 H29 118.1 . .
C28 C29 H29 118.1 . .
O10 C30 Dy2 63.15(19) . 1_565
O10 C30 C27 120.3(3) . .
O11 C30 Dy2 57.4(2) . 1_565
O11 C30 O10 120.6(3) . .
O11 C30 C27 119.1(4) . .
C27 C30 Dy2 175.5(3) . 1_565
N4 C31 C25 115.2(3) . .
N4 C31 C32 122.3(4) . .
C32 C31 C25 122.5(4) . .
C31 C32 H32 120.4 . .
C31 C32 C33 119.2(4) . .
C33 C32 H32 120.4 . .
C32 C33 C36 122.2(4) . .
C34 C33 C32 118.7(3) . .
C34 C33 C36 119.0(4) . .
C33 C34 H34 120.8 . .
C33 C34 C35 118.3(4) . .
C35 C34 H34 120.8 . .
N4 C35 C34 123.8(4) . .
N4 C35 H35 118.1 . .
C34 C35 H35 118.1 . .
O8 C36 Dy1 53.12(19) . 2_566
O8 C36 O9 121.1(3) . .
O8 C36 C33 117.6(4) . .
O9 C36 Dy1 68.0(2) . 2_566
O9 C36 C33 121.2(3) . .
C33 C36 Dy1 170.7(3) . 2_566
H16A O16 H16B 104.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O2 2.301(3) .
Dy1 O3 2.424(3) .
Dy1 O4 2.237(3) .
Dy1 O5 2.308(3) 2_676
Dy1 O6 2.293(3) 2_566
Dy1 O8 2.427(3) 2_566
Dy1 O9 2.751(3) 2_566
Dy1 O10 2.412(3) 2_576
Dy1 C36 2.962(4) 2_566
Dy2 O7 2.301(3) .
Dy2 O9 2.327(3) .
Dy2 O10 2.533(2) 1_545
Dy2 O11 2.410(3) 1_545
Dy2 O12 2.276(3) .
Dy2 O13 2.349(3) 2_567
Dy2 O14 2.325(3) .
Dy2 O15 2.424(3) .
Dy2 C30 2.839(4) 1_545
O1 C13 1.236(6) .
O2 C13 1.237(6) .
O3 H3A 0.8678 .
O3 H3B 0.8673 .
O4 C6 1.250(5) .
O5 Dy1 2.308(3) 2_676
O5 C6 1.254(4) .
O6 Dy1 2.293(3) 2_566
O6 C12 1.258(4) .
O7 C12 1.248(5) .
O8 Dy1 2.427(3) 2_566
O8 C36 1.254(5) .
O9 Dy1 2.751(3) 2_566
O9 C36 1.257(5) .
O10 Dy1 2.412(3) 2_576
O10 Dy2 2.533(2) 1_565
O10 C30 1.279(5) .
O11 Dy2 2.410(3) 1_565
O11 C30 1.243(4) .
O12 C19 1.257(4) .
O13 Dy2 2.349(3) 2_567
O13 C19 1.248(5) .
O14 H14A 0.8502 .
O14 H14B 0.8503 .
O15 H15A 0.8591 .
O15 H15B 0.8589 .
N1 C16 1.345(5) .
N1 C17 1.333(5) .
N2 C1 1.341(5) .
N2 C5 1.344(5) .
N3 C7 1.331(5) .
N3 C11 1.335(5) .
N4 C31 1.353(5) .
N4 C35 1.324(5) .
N5 C25 1.330(6) .
N5 C29 1.337(5) .
N6 C22 1.335(6) .
N6 C23 1.336(5) .
C1 C2 1.391(6) .
C1 C7 1.508(5) .
C2 H2 0.9300 .
C2 C3 1.391(5) .
C3 C4 1.371(6) .
C3 C6 1.505(6) .
C4 H4 0.9300 .
C4 C5 1.382(6) .
C5 H5 0.9300 .
C7 C8 1.381(6) .
C8 H8 0.9300 .
C8 C9 1.394(5) .
C9 C10 1.376(6) .
C9 C12 1.497(6) .
C10 H10 0.9300 .
C10 C11 1.374(6) .
C11 H11 0.9300 .
C13 C14 1.520(6) .
C14 C15 1.390(6) .
C14 C18 1.390(6) .
C15 H15 0.9300 .
C15 C16 1.392(5) .
C16 C16 1.487(8) 2_776
C17 H17 0.9300 .
C17 C18 1.388(6) .
C18 H18 0.9300 .
C19 C20 1.502(6) .
C20 C21 1.385(5) .
C20 C24 1.370(6) .
C21 H21 0.9300 .
C21 C22 1.375(6) .
C22 C22 1.499(8) 2_577
C23 H23 0.9300 .
C23 C24 1.376(6) .
C24 H24 0.9300 .
C25 C26 1.397(5) .
C25 C31 1.488(5) .
C26 H26 0.9300 .
C26 C27 1.384(5) .
C27 C28 1.379(6) .
C27 C30 1.502(5) .
C28 H28 0.9300 .
C28 C29 1.376(6) .
C29 H29 0.9300 .
C30 Dy2 2.839(4) 1_565
C31 C32 1.377(5) .
C32 H32 0.9300 .
C32 C33 1.389(5) .
C33 C34 1.374(6) .
C33 C36 1.516(5) .
C34 H34 0.9300 .
C34 C35 1.387(5) .
C35 H35 0.9300 .
C36 Dy1 2.962(4) 2_566
O16 H16A 0.8510 .
O16 H16B 0.8498 .
