#------------------------------------------------------------------------------
#$Date: 2024-12-06 19:31:34 +0200 (Fri, 06 Dec 2024) $
#$Revision: 296466 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/93/7249311.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_7249311
loop_
_publ_author_name
'Zou, Chen'
'Jiang, Xiaofeng'
'Mei, Hao'
'Xu, Guiying'
'Tan, Jiashuo'
'Chen, Sihuai'
'Yuan, Jun'
'Jia, Lihui'
_publ_section_title
;
 Luminescence and magnetic properties of mononuclear Ln(iii) complexes
 using an N1-substituted 1,2,3-triazole ligand
;
_journal_issue                   39
_journal_name_full               CrystEngComm
_journal_page_first              5655
_journal_page_last               5663
_journal_paper_doi               10.1039/D4CE00713A
_journal_volume                  26
_journal_year                    2024
_chemical_formula_moiety         'C24 H16 Dy N13 O9, 2(C2 H3 N)'
_chemical_formula_sum            'C28 H22 Dy N15 O9'
_chemical_formula_weight         875.10
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2019-11-05
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.18 svn.r3508 for OlexSys, GUI svn.r5497)
;
_audit_update_record
;
2024-07-10 deposited with the CCDC.	2024-09-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.3480(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.69338(9)
_cell_length_b                   11.64098(5)
_cell_length_c                   16.29945(9)
_cell_measurement_reflns_used    28932
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      73.6490
_cell_measurement_theta_min      4.5030
_cell_volume                     3480.27(3)
_computing_cell_refinement       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28b (Rigaku OD, 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 (Sheldrick, 2015)'
_diffrn_ambient_temperature      273
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     37.00  84.00   0.50    0.50    --    0.00  57.00 150.00   94
  2  ω    -21.00  34.00   0.50    0.50    --    0.00  57.00-120.00  110
  3  ω    -22.00  48.00   0.50    0.50    --    0.00  57.00  60.00  140
  4  ω    -22.00  33.00   0.50    0.50    --    0.00  57.00 150.00  110
  5  ω     54.00  87.00   0.50    0.50    --    0.00  57.00  60.00   66
  6  ω    -15.00  77.00   0.50    0.50    --    0.00  38.00 -30.00  184
  7  ω    -46.00   7.00   0.50    0.50    --    0.00 -77.00 120.00  106
  8  ω     38.00  88.00   0.50    0.50    --    0.00  57.00-180.00  100
  9  ω     39.00  74.00   0.50    0.50    --    0.00  57.00-120.00   70
 10  ω     73.00  98.00   0.50    0.50    --   94.60  54.00  80.31   50
 11  ω    123.00 150.00   0.50    0.50    --   94.60  71.00  34.14   54
 12  ω     68.00  94.00   0.50    0.50    --   94.60  71.00  34.14   52
 13  ω     67.00 131.00   0.50    0.50    --   94.60  72.00 125.60  128
 14  ω     68.00  94.00   0.50    0.50    --   94.60  69.00   2.51   52
 15  ω     73.00 182.00   0.50    0.50    --   94.60  54.00 -87.59  218
 16  ω    154.00 180.00   0.50    0.50    --   94.60  63.00 -35.62   52
 17  ω     69.00 139.00   0.50    0.50    --   94.60  68.00 147.06  140
 18  ω     66.00  91.00   0.50    0.50    --   94.60  74.00-162.85   50
 19  ω     72.00 184.00   0.50    0.50    --   94.60  55.00  -7.48  224
 20  ω     71.00 104.00   0.50    0.50    --   94.60  60.00 101.36   66
 21  ω     68.00  93.00   0.50    0.50    --   94.60  69.00 -81.71   50
 22  ω      8.00 116.00   0.50    0.50    --   94.60 -61.00   0.00  216
 23  ω     75.00 137.00   0.50    0.50    --   94.60  45.00-120.00  124
 24  ω     40.00 124.00   0.50    0.50    --   94.60 -82.00-180.00  168
 25  ω      5.00 126.00   0.50    0.50    --   94.60 -82.00   0.00  242
 26  ω     38.00  76.00   0.50    0.50    --   94.60 -82.00-150.00   76
 27  ω     99.00 124.00   0.50    0.50    --   94.60 -82.00-150.00   50
 28  ω      5.00  44.00   0.50    0.50    --   94.60 -82.00  90.00   78
 29  ω     48.00 126.00   0.50    0.50    --   94.60 -82.00  90.00  156
 30  ω      9.00 109.00   0.50    0.50    --   94.60 -82.00 -90.00  200
 31  ω    130.00 176.00   0.50    0.50    --   94.60  53.00-101.36   92
 32  ω     69.00  96.00   0.50    0.50    --   94.60  66.00-130.06   54
 33  ω    146.00 173.00   0.50    0.50    --   94.60  71.00 109.30   54
 34  ω     69.00  95.00   0.50    0.50    --   94.60  67.00 -48.80   52
 35  ω     71.00  97.00   0.50    0.50    --   94.60  61.00  90.00   52
 36  ω     71.00 183.00   0.50    0.50    --   94.60  61.00  60.00  224
 37  ω     71.00 101.00   0.50    0.50    --   94.60  61.00   0.00   60
 38  ω     71.00 127.00   0.50    0.50    --   94.60  61.00  30.00  112
 39  ω    139.00 164.00   0.50    0.50    --   94.60  61.00  30.00   50
 40  ω     71.00 100.00   0.50    0.50    --   94.60  61.00-180.00   58
 41  ω     73.00 117.00   0.50    0.50    --   94.60  52.00 177.05   88
 42  ω     71.00  96.00   0.50    0.50    --   94.60  61.00 -90.00   50
 43  ω     79.00 118.00   0.50    0.50    --   94.60 -61.00  60.00   78
 44  ω     71.00  96.00   0.50    0.50    --   94.60  61.00-150.00   50
 45  ω     67.00  92.00   0.50    0.50    --   94.60  71.00 109.30   50
 46  ω    102.00 166.00   0.50    0.50    --   94.60  61.00 -60.00  128
 47  ω     71.00  96.00   0.50    0.50    --   94.60  61.00 -60.00   50
 48  ω     76.00 177.00   0.50    0.50    --   94.60  45.00 -30.00  202
 49  ω     73.00 149.00   0.50    0.50    --   94.60  53.00 123.06  152
 50  ω    138.00 183.00   0.50    0.50    --   94.60  54.00  80.31   90
 51  ω     73.00 101.00   0.50    0.50    --   94.60  53.00-101.36   56
 52  ω     70.00  96.00   0.50    0.50    --   94.60  63.00 -35.62   52
 53  ω     72.00 181.00   0.50    0.50    --   94.60  55.00-161.13  218
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0800817000
_diffrn_orient_matrix_UB_12      0.0029244000
_diffrn_orient_matrix_UB_13      0.0635874000
_diffrn_orient_matrix_UB_21      -0.0198947000
_diffrn_orient_matrix_UB_22      0.0886509000
_diffrn_orient_matrix_UB_23      0.0577339000
_diffrn_orient_matrix_UB_31      -0.0155978000
_diffrn_orient_matrix_UB_32      -0.0982359000
_diffrn_orient_matrix_UB_33      0.0540436000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0272
_diffrn_reflns_av_unetI/netI     0.0112
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            36711
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.998
_diffrn_reflns_theta_min         4.499
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    12.133
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.27206
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear blackish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   blackish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.670
_exptl_crystal_description       block
_exptl_crystal_F_000             1732
_refine_diff_density_max         0.544
_refine_diff_density_min         -0.834
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     242
_refine_ls_number_reflns         3518
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0213
_refine_ls_R_factor_gt           0.0211
_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)+(0.0389P)²+2.3388P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0582
_refine_ls_wR_factor_ref         0.0584
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3462
_reflns_number_total             3518
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ce00713a2.cif
_cod_data_source_block           20191104_dy
_cod_depositor_comments
'Adding full bibliography for 7249311--7249313.cif.'
_cod_database_code               7249311
_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.
;
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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:
 C1(H1), C4(H4), C3(H3), C2(H2), C9(H9), C10(H10), C12(H12), C11(H11)
2.b Idealised Me refined as rotating group:
 C14(H14a,H14b,H14c)
;
_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 2.562
_oxdiff_exptl_absorpt_empirical_full_min 0.648
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.5000 0.58600(2) 0.2500 0.02908(6) Uani 1 2 d S T P . .
O3 O 0.62955(9) 0.58737(13) 0.35538(11) 0.0446(4) Uani 1 1 d . . . . .
O1 O 0.46065(10) 0.39601(14) 0.18357(12) 0.0480(4) Uani 1 1 d . . . . .
N2 N 0.51182(9) 0.68068(15) 0.39468(11) 0.0360(3) Uani 1 1 d . . . . .
N3 N 0.55462(10) 0.76612(16) 0.43469(11) 0.0401(4) Uani 1 1 d . . . . .
O5 O 0.58865(9) 0.73736(14) 0.27618(10) 0.0469(4) Uani 1 1 d . . . . .
N4 N 0.53711(9) 0.79212(16) 0.50480(11) 0.0384(4) Uani 1 1 d . . . . .
N1 N 0.41138(9) 0.51380(15) 0.32889(10) 0.0354(3) Uani 1 1 d . . . . .
N7 N 0.64087(10) 0.68935(19) 0.33740(12) 0.0455(4) Uani 1 1 d . . . . .
O4 O 0.69750(11) 0.7396(2) 0.37625(16) 0.0784(7) Uani 1 1 d . . . . .
N5 N 0.53511(14) 0.9357(2) 0.60225(15) 0.0557(5) Uani 1 1 d . . . . .
C1 C 0.36429(13) 0.42721(19) 0.29694(16) 0.0421(5) Uani 1 1 d . . . . .
H1 H 0.3590 0.3974 0.2420 0.051 Uiso 1 1 calc R . . . .
C4 C 0.37620(12) 0.5154(2) 0.45535(14) 0.0438(5) Uani 1 1 d . . . . .
H4 H 0.3809 0.5480 0.5092 0.053 Uiso 1 1 calc R . . . .
C7 C 0.48346(12) 0.72424(19) 0.51036(14) 0.0402(4) Uani 1 1 d . . . . .
N6 N 0.5000 0.3383(2) 0.2500 0.0526(7) Uani 1 2 d S T P . .
C5 C 0.41611(11) 0.55775(19) 0.40731(13) 0.0349(4) Uani 1 1 d . . . . .
C6 C 0.46752(10) 0.65238(18) 0.43891(12) 0.0345(4) Uani 1 1 d . . . . .
C3 C 0.32961(14) 0.4245(2) 0.42227(18) 0.0490(6) Uani 1 1 d . . . . .
H3 H 0.3030 0.3938 0.4539 0.059 Uiso 1 1 calc R . . . .
C2 C 0.32309(12) 0.3799(2) 0.34143(16) 0.0465(5) Uani 1 1 d . . . . .
H2 H 0.2916 0.3190 0.3172 0.056 Uiso 1 1 calc R . . . .
C8 C 0.57422(13) 0.8847(2) 0.56183(15) 0.0435(5) Uani 1 1 d . . . . .
C9 C 0.64392(17) 0.9126(2) 0.5697(2) 0.0584(7) Uani 1 1 d . . . . .
H9 H 0.6687 0.8720 0.5402 0.070 Uiso 1 1 calc R . . . .
C10 C 0.67527(18) 1.0046(3) 0.6240(2) 0.0759(9) Uani 1 1 d . . . . .
H10 H 0.7224 1.0279 0.6317 0.091 Uiso 1 1 calc R . . . .
C12 C 0.56794(18) 1.0240(3) 0.65472(19) 0.0690(8) Uani 1 1 d . . . . .
H12 H 0.5425 1.0620 0.6848 0.083 Uiso 1 1 calc R . . . .
C11 C 0.6365(2) 1.0610(3) 0.6663(2) 0.0768(10) Uani 1 1 d . . . . .
H11 H 0.6567 1.1237 0.7024 0.092 Uiso 1 1 calc R . . . .
O2 O 0.5000 0.2348(3) 0.2500 0.1053(14) Uani 1 2 d S T P . .
C14 C 0.3480(4) 0.0842(5) 0.1127(6) 0.147(3) Uani 1 1 d . . . . .
H14A H 0.3402 0.0825 0.0511 0.221 Uiso 1 1 calc GR . . . .
H14B H 0.3372 0.0101 0.1308 0.221 Uiso 1 1 calc GR . . . .
H14C H 0.3979 0.1036 0.1459 0.221 Uiso 1 1 calc GR . . . .
C13 C 0.3030(4) 0.1651(6) 0.1277(6) 0.168(3) Uani 1 1 d . . . . .
N8 N 0.2677(5) 0.2246(8) 0.1472(8) 0.287(6) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
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
_geom_angle_publ_flag
O3 Dy1 O3 179.27(7) 2_655 . ?
O3 Dy1 N2 111.15(5) . 2_655 ?
O3 Dy1 N2 68.51(5) 2_655 2_655 ?
O3 Dy1 N2 68.51(5) . . ?
O3 Dy1 N2 111.15(5) 2_655 . ?
O3 Dy1 N1 110.81(5) . . ?
O3 Dy1 N1 69.43(5) 2_655 . ?
O3 Dy1 N1 69.43(5) . 2_655 ?
O3 Dy1 N1 110.81(5) 2_655 2_655 ?
O3 Dy1 N7 153.39(6) 2_655 . ?
O3 Dy1 N7 25.92(5) 2_655 2_655 ?
O3 Dy1 N7 153.39(6) . 2_655 ?
O3 Dy1 N7 25.92(5) . . ?
O1 Dy1 O3 67.96(6) 2_655 . ?
O1 Dy1 O3 112.75(6) . . ?
O1 Dy1 O3 67.97(6) . 2_655 ?
O1 Dy1 O3 112.75(6) 2_655 2_655 ?
O1 Dy1 O1 51.97(9) 2_655 . ?
O1 Dy1 N2 135.04(6) . . ?
O1 Dy1 N2 135.03(6) 2_655 2_655 ?
O1 Dy1 N2 94.23(6) . 2_655 ?
O1 Dy1 N2 94.23(6) 2_655 . ?
O1 Dy1 N1 70.08(6) 2_655 . ?
O1 Dy1 N1 76.77(6) . . ?
O1 Dy1 N1 70.08(6) . 2_655 ?
O1 Dy1 N1 76.77(6) 2_655 2_655 ?
O1 Dy1 N7 133.27(6) . . ?
O1 Dy1 N7 93.75(6) 2_655 . ?
O1 Dy1 N7 93.75(6) . 2_655 ?
O1 Dy1 N7 133.27(6) 2_655 2_655 ?
N2 Dy1 N2 128.48(8) . 2_655 ?
N2 Dy1 N1 62.67(5) 2_655 2_655 ?
N2 Dy1 N1 137.26(5) . 2_655 ?
N2 Dy1 N1 62.67(5) . . ?
N2 Dy1 N1 137.26(5) 2_655 . ?
N2 Dy1 N7 91.39(5) 2_655 . ?
N2 Dy1 N7 91.39(5) . 2_655 ?
N2 Dy1 N7 67.21(5) . . ?
N2 Dy1 N7 67.21(5) 2_655 2_655 ?
O5 Dy1 O3 51.79(5) . . ?
O5 Dy1 O3 127.53(5) 2_655 . ?
O5 Dy1 O3 127.53(5) . 2_655 ?
O5 Dy1 O3 51.79(5) 2_655 2_655 ?
O5 Dy1 O1 119.22(6) 2_655 . ?
O5 Dy1 O1 119.22(6) . 2_655 ?
O5 Dy1 O1 145.90(6) 2_655 2_655 ?
O5 Dy1 O1 145.90(6) . . ?
O5 Dy1 N2 70.23(5) . 2_655 ?
O5 Dy1 N2 72.65(5) 2_655 2_655 ?
O5 Dy1 N2 72.65(5) . . ?
O5 Dy1 N2 70.23(5) 2_655 . ?
O5 Dy1 O5 85.87(8) . 2_655 ?
O5 Dy1 N1 75.83(5) . 2_655 ?
O5 Dy1 N1 75.83(5) 2_655 . ?
O5 Dy1 N1 135.13(5) 2_655 2_655 ?
O5 Dy1 N1 135.13(5) . . ?
O5 Dy1 N7 25.92(6) . . ?
O5 Dy1 N7 25.92(6) 2_655 2_655 ?
O5 Dy1 N7 106.73(6) 2_655 . ?
O5 Dy1 N7 106.73(6) . 2_655 ?
N1 Dy1 N1 143.06(7) . 2_655 ?
N1 Dy1 N7 125.29(5) . . ?
N1 Dy1 N7 71.76(5) . 2_655 ?
N1 Dy1 N7 71.76(5) 2_655 . ?
N1 Dy1 N7 125.29(5) 2_655 2_655 ?
N7 Dy1 N7 130.62(9) 2_655 . ?
N7 O3 Dy1 93.94(12) . . ?
N6 O1 Dy1 95.94(14) . . ?
N3 N2 Dy1 128.03(12) . . ?
N3 N2 C6 109.88(16) . . ?
C6 N2 Dy1 121.91(13) . . ?
N2 N3 N4 106.03(16) . . ?
N7 O5 Dy1 98.31(12) . . ?
N3 N4 C7 112.05(17) . . ?
N3 N4 C8 119.46(18) . . ?
C7 N4 C8 128.48(18) . . ?
C1 N1 Dy1 122.30(14) . . ?
C1 N1 C5 116.94(18) . . ?
C5 N1 Dy1 120.58(13) . . ?
O3 N7 Dy1 60.14(11) . . ?
O3 N7 O5 115.77(17) . . ?
O5 N7 Dy1 55.77(10) . . ?
O4 N7 Dy1 174.96(19) . . ?
O4 N7 O3 122.6(2) . . ?
O4 N7 O5 121.6(2) . . ?
C8 N5 C12 115.4(3) . . ?
N1 C1 H1 118.3 . . ?
N1 C1 C2 123.4(2) . . ?
C2 C1 H1 118.3 . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C3 C4 C5 119.1(2) . . ?
N4 C7 C6 104.03(17) . . ?
O1 N6 Dy1 58.08(13) 2_655 . ?
O1 N6 Dy1 58.08(13) . . ?
O1 N6 O1 116.2(3) . 2_655 ?
O2 N6 Dy1 180.0 . . ?
O2 N6 O1 121.92(13) . . ?
O2 N6 O1 121.92(13) . 2_655 ?
N1 C5 C4 122.9(2) . . ?
N1 C5 C6 114.91(17) . . ?
C4 C5 C6 122.20(19) . . ?
N2 C6 C7 108.02(18) . . ?
N2 C6 C5 119.55(17) . . ?
C7 C6 C5 132.41(18) . . ?
C4 C3 H3 120.6 . . ?
C4 C3 C2 118.8(2) . . ?
C2 C3 H3 120.6 . . ?
C1 C2 H2 120.6 . . ?
C3 C2 C1 118.8(2) . . ?
C3 C2 H2 120.6 . . ?
N5 C8 N4 114.1(2) . . ?
N5 C8 C9 126.3(2) . . ?
C9 C8 N4 119.7(2) . . ?
C8 C9 H9 121.9 . . ?
C8 C9 C10 116.3(3) . . ?
C10 C9 H9 121.9 . . ?
C9 C10 H10 120.2 . . ?
C11 C10 C9 119.5(3) . . ?
C11 C10 H10 120.2 . . ?
N5 C12 H12 118.2 . . ?
N5 C12 C11 123.6(3) . . ?
C11 C12 H12 118.2 . . ?
C10 C11 H11 120.5 . . ?
C12 C11 C10 119.0(3) . . ?
C12 C11 H11 120.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
N8 C13 C14 173.1(13) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O3 2.5037(17) 2_655 ?
Dy1 O3 2.5038(17) . ?
Dy1 O1 2.4604(16) . ?
Dy1 O1 2.4604(16) 2_655 ?
Dy1 N2 2.5359(16) 2_655 ?
Dy1 N2 2.5358(16) . ?
Dy1 O5 2.4067(15) 2_655 ?
Dy1 O5 2.4066(15) . ?
Dy1 N1 2.6531(16) . ?
Dy1 N1 2.6531(16) 2_655 ?
Dy1 N7 2.8802(18) 2_655 ?
Dy1 N7 2.8802(18) . ?
O3 N7 1.262(3) . ?
O1 N6 1.270(2) . ?
N2 N3 1.313(2) . ?
N2 C6 1.359(2) . ?
N3 N4 1.343(2) . ?
O5 N7 1.272(3) . ?
N4 C7 1.349(3) . ?
N4 C8 1.437(3) . ?
N1 C1 1.340(3) . ?
N1 C5 1.348(3) . ?
N7 O4 1.214(3) . ?
N5 C8 1.323(3) . ?
N5 C12 1.343(4) . ?
C1 H1 0.9300 . ?
C1 C2 1.384(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.386(3) . ?
C4 C3 1.375(3) . ?
C7 C6 1.374(3) . ?
N6 O1 1.270(2) 2_655 ?
N6 O2 1.206(4) . ?
C5 C6 1.457(3) . ?
C3 H3 0.9300 . ?
C3 C2 1.378(4) . ?
C2 H2 0.9300 . ?
C8 C9 1.370(4) . ?
C9 H9 0.9300 . ?
C9 C10 1.382(4) . ?
C10 H10 0.9300 . ?
C10 C11 1.368(5) . ?
C12 H12 0.9300 . ?
C12 C11 1.364(5) . ?
C11 H11 0.9300 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C14 C13 1.373(9) . ?
C13 N8 1.108(10) . ?
