#------------------------------------------------------------------------------
#$Date: 2023-09-13 01:56:30 +0300 (Wed, 13 Sep 2023) $
#$Revision: 286309 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/39/7713931.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_7713931
loop_
_publ_author_name
'Armenis, Alexandros'
'Alexandropoulos, Dimitris'
'Worrell, Anne'
'Cunha-Silva, Luis'
'Dunbar, Kim R.'
'Stamatatos, Theocharis'
_publ_section_title
;
 Peripheral site modification in a family of dinuclear
 [Dy2(hynad)2-6(NO3)0-6(sol)0-2]0/2- single-molecule magnets bearing a
 {Dy2(μ-OR)2}4+ diamond-shaped core and exhibiting dissimilar magnetic
 dynamics
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT02596A
_journal_year                    2023
_chemical_formula_moiety         'C24 H12 Dy2 N8 O24, 2(C2 H3 N), 2(C4 H12 N)'
_chemical_formula_sum            'C36 H42 Dy2 N12 O24'
_chemical_formula_weight         1351.81
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2018-07-11
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2023-06-30 deposited with the CCDC.	2023-09-12 downloaded from the CCDC.
;
_cell_angle_alpha                115.252(3)
_cell_angle_beta                 109.857(3)
_cell_angle_gamma                96.441(2)
_cell_formula_units_Z            1
_cell_length_a                   10.9643(3)
_cell_length_b                   11.4838(3)
_cell_length_c                   11.7527(5)
_cell_measurement_reflns_used    7372
_cell_measurement_temperature    293.0(1)
_cell_measurement_theta_max      76.4880
_cell_measurement_theta_min      4.4380
_cell_volume                     1199.95(9)
_computing_cell_refinement       'CrysAlisPro 1.171.39.30d (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.30d (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.30d (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      293.0(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -90.00 -45.00   1.00    0.10    --  -48.45 -49.00 147.00   45
  2  ω     47.00 121.00   1.00    0.10    --   48.45  49.00 -64.00   74
  3  ω     -7.00  58.00   1.00    0.10    --   48.45 -49.00 147.00   65
  4  ω   -159.00 -73.00   1.00    0.20    --  -86.25 -49.00 147.00   86
  5  ω    -48.00 -14.00   1.00    0.20    --  -86.25  49.00 -64.00   34
  6  ω     86.00 118.00   1.00    0.20    --  107.75 -49.00 147.00   32
  7  ω     37.00  63.00   1.00    0.20    --  107.75 -49.00 147.00   26
  8  ω     95.00 177.00   1.00    0.20    --  107.75  49.00 -64.00   82
  9  ω   -120.00 -71.00   1.00    0.10    --  -48.45-125.00  90.00   49
 10  ω    -61.00 -32.00   1.00    0.10    --  -48.45  49.00 -64.00   29
 11  ω   -119.00 -75.00   1.00    0.10    --  -48.45-125.00-150.00   44
 12  ω    -24.00  15.00   1.00    0.10    --  -48.45  49.00 -64.00   39
 13  ω     39.00  96.00   1.00    0.10    --   48.45-125.00-180.00   57
 14  ω    -58.00 -13.00   1.00    0.20    --  -86.25 125.00  30.00   45
 15  ω    -90.00 -63.00   1.00    0.20    --  -86.25 125.00  30.00   27
 16  ω     40.00  95.00   1.00    0.20    --  107.75 -99.00  60.00   55
 17  ω     35.00 125.00   1.00    0.20    --  107.75 -77.00 120.00   90
 18  ω     35.00 116.00   1.00    0.20    --  107.75-125.00  30.00   81
 19  ω     95.00 172.00   1.00    0.20    --  107.75  57.00-150.00   77
 20  ω     93.00 177.00   1.00    0.20    --  107.75  57.00-180.00   84
 21  ω    110.00 178.00   1.00    0.20    --  107.75 125.00  90.00   68
 22  ω     44.00 115.00   1.00    0.20    --  107.75-125.00 -60.00   71
 23  ω     35.00 109.00   1.00    0.20    --  107.75 -99.00 120.00   74
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0978183000
_diffrn_orient_matrix_UB_12      0.0708067000
_diffrn_orient_matrix_UB_13      0.0500285000
_diffrn_orient_matrix_UB_21      0.1053846000
_diffrn_orient_matrix_UB_22      0.0625108000
_diffrn_orient_matrix_UB_23      0.1525524000
_diffrn_orient_matrix_UB_31      0.0623373000
_diffrn_orient_matrix_UB_32      0.1236551000
_diffrn_orient_matrix_UB_33      -0.0052616000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_unetI/netI     0.0507
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10900
_diffrn_reflns_point_group_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         67.074
_diffrn_reflns_theta_min         4.466
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    17.337
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.48768
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.30d (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.871
_exptl_crystal_description       block
_exptl_crystal_F_000             666
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.580
_refine_diff_density_min         -0.740
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     339
_refine_ls_number_reflns         4225
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0369
_refine_ls_R_factor_gt           0.0282
_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)+(0.0268P)²+0.8884P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0651
_refine_ls_wR_factor_ref         0.0696
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3823
_reflns_number_total             4225
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt02596a2.cif
_cod_data_source_block           aw823c
_cod_original_cell_volume        1199.95(8)
_cod_database_code               7713931
_shelxl_version_number           2013-4
_chemical_oxdiff_formula         DyCNO
_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   0.478
_shelx_estimated_absorpt_t_min   0.338
_reflns_odcompleteness_completeness 99.21
_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:
 C3(H3), C4(H4), C5(H5), C9(H9), C10(H10), C11(H11)
2.b Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C17(H17A,H17B,
 H17C), C18(H18A,H18B,H18C)
;
_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 1.650
_oxdiff_exptl_absorpt_empirical_full_min 0.727
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 0.69373(2) 0.57724(2) 0.65936(2) 0.01546(8) Uani 1 1 d . . . . .
O1 O 0.7634(2) 0.7416(3) 0.5961(3) 0.0202(6) Uani 1 1 d . . . . .
O2 O 0.5173(2) 0.5971(2) 0.4912(3) 0.0185(6) Uani 1 1 d . . . . .
O3 O 0.3199(3) 0.6310(2) 0.3248(3) 0.0202(6) Uani 1 1 d . . . . .
O4 O 0.6384(3) 0.7705(3) 0.8017(3) 0.0290(6) Uani 1 1 d . . . . .
O5 O 0.5537(3) 0.5863(3) 0.7924(3) 0.0280(6) Uani 1 1 d . . . . .
O6 O 0.5100(3) 0.7697(4) 0.9077(4) 0.0496(9) Uani 1 1 d . . . . .
O7 O 0.8462(3) 0.6198(3) 0.8906(3) 0.0254(6) Uani 1 1 d . . . . .
O8 O 0.9132(3) 0.7716(3) 0.8474(3) 0.0314(7) Uani 1 1 d . . . . .
O9 O 1.0338(3) 0.7826(3) 1.0441(3) 0.0356(7) Uani 1 1 d . . . . .
O10 O 0.8901(3) 0.5140(3) 0.6320(3) 0.0268(6) Uani 1 1 d . . . . .
O11 O 0.8928(3) 0.3647(3) 0.4411(3) 0.0306(7) Uani 1 1 d . . . . .
O12 O 0.7094(3) 0.4240(3) 0.4387(3) 0.0274(6) Uani 1 1 d . . . . .
N1 N 0.5432(3) 0.6977(3) 0.4634(3) 0.0161(6) Uani 1 1 d . . . . .
N2 N 0.8328(3) 0.4320(3) 0.5006(3) 0.0214(7) Uani 1 1 d . . . . .
N3 N 0.9342(3) 0.7275(3) 0.9314(3) 0.0211(7) Uani 1 1 d . . . . .
N4 N 0.5649(3) 0.7095(4) 0.8357(4) 0.0270(8) Uani 1 1 d . . . . .
C1 C 0.4324(4) 0.7113(4) 0.3747(4) 0.0162(7) Uani 1 1 d . . . . .
C2 C 0.4608(4) 0.8223(4) 0.3474(4) 0.0170(7) Uani 1 1 d . . . . .
C3 C 0.3554(4) 0.8475(4) 0.2646(4) 0.0225(8) Uani 1 1 d . . . . .
H3 H 0.2663 0.7937 0.2256 0.027 Uiso 1 1 calc R . . . .
C4 C 0.3833(4) 0.9540(4) 0.2398(4) 0.0264(9) Uani 1 1 d . . . . .
H4 H 0.3122 0.9698 0.1832 0.032 Uiso 1 1 calc R . . . .
C5 C 0.5136(5) 1.0356(4) 0.2976(4) 0.0262(9) Uani 1 1 d . . . . .
H5 H 0.5300 1.1055 0.2792 0.031 Uiso 1 1 calc R . . . .
C6 C 0.6243(4) 1.0143(4) 0.3855(4) 0.0238(8) Uani 1 1 d . . . . .
C7 C 0.5964(4) 0.9037(4) 0.4076(4) 0.0189(8) Uani 1 1 d . . . . .
C8 C 0.7059(4) 0.8825(4) 0.4958(4) 0.0176(7) Uani 1 1 d . . . . .
C9 C 0.8358(4) 0.9667(4) 0.5591(4) 0.0236(8) Uani 1 1 d . . . . .
H9 H 0.9063 0.9521 0.6177 0.028 Uiso 1 1 calc R . . . .
C10 C 0.8629(4) 1.0748(4) 0.5359(5) 0.0306(10) Uani 1 1 d . . . . .
H10 H 0.9513 1.1317 0.5788 0.037 Uiso 1 1 calc R . . . .
C11 C 0.7592(5) 1.0969(4) 0.4500(5) 0.0301(10) Uani 1 1 d . . . . .
H11 H 0.7786 1.1680 0.4341 0.036 Uiso 1 1 calc R . . . .
C12 C 0.6767(4) 0.7721(4) 0.5234(4) 0.0171(7) Uani 1 1 d . . . . .
N5 N 0.8041(5) 0.8456(5) 1.1888(5) 0.0515(11) Uani 1 1 d . . . . .
C13 C 0.8083(5) 0.9277(5) 1.1602(5) 0.0393(11) Uani 1 1 d . . . . .
C14 C 0.8148(7) 1.0346(6) 1.1250(6) 0.0620(17) Uani 1 1 d . . . . .
H14A H 0.7243 1.0325 1.0742 0.093 Uiso 1 1 calc GR . . . .
H14B H 0.8635 1.0213 1.0685 0.093 Uiso 1 1 calc GR . . . .
H14C H 0.8610 1.1205 1.2089 0.093 Uiso 1 1 calc GR . . . .
N6 N 0.2047(3) 0.4995(3) 0.8500(3) 0.0232(7) Uani 1 1 d . . . . .
C15 C 0.3285(5) 0.5133(5) 0.9658(5) 0.0416(12) Uani 1 1 d . . . . .
H15A H 0.4084 0.5539 0.9635 0.062 Uiso 1 1 calc GR . . . .
H15B H 0.3293 0.4256 0.9548 0.062 Uiso 1 1 calc GR . . . .
H15C H 0.3273 0.5692 1.0535 0.062 Uiso 1 1 calc GR . . . .
C16 C 0.2053(5) 0.4096(5) 0.7134(5) 0.0347(10) Uani 1 1 d . . . . .
H16A H 0.1235 0.3966 0.6387 0.052 Uiso 1 1 calc GR . . . .
H16B H 0.2100 0.3238 0.7060 0.052 Uiso 1 1 calc GR . . . .
H16C H 0.2828 0.4506 0.7079 0.052 Uiso 1 1 calc GR . . . .
C17 C 0.2055(4) 0.6352(4) 0.8641(5) 0.0300(9) Uani 1 1 d . . . . .
H17A H 0.1271 0.6258 0.7882 0.045 Uiso 1 1 calc GR . . . .
H17B H 0.2865 0.6743 0.8624 0.045 Uiso 1 1 calc GR . . . .
H17C H 0.2032 0.6929 0.9508 0.045 Uiso 1 1 calc GR . . . .
C18 C 0.0812(4) 0.4388(5) 0.8555(5) 0.0337(10) Uani 1 1 d . . . . .
H18A H 0.0803 0.4966 0.9428 0.051 Uiso 1 1 calc GR . . . .
H18B H 0.0821 0.3519 0.8468 0.051 Uiso 1 1 calc GR . . . .
H18C H 0.0015 0.4285 0.7804 0.051 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 0.0181 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
O1 Dy1 O3 156.44(9) . 2_666 ?
O1 Dy1 O5 128.69(9) . . ?
O1 Dy1 O7 115.03(8) . . ?
O1 Dy1 O8 64.87(8) . . ?
O1 Dy1 O12 79.69(9) . . ?
O1 Dy1 N2 81.36(8) . . ?
O1 Dy1 N4 103.64(10) . . ?
O2 Dy1 O1 64.32(8) . . ?
O2 Dy1 O1 120.04(8) 2_666 . ?
O2 Dy1 O2 58.82(9) . 2_666 ?
O2 Dy1 O3 122.71(8) . 2_666 ?
O2 Dy1 O3 64.13(8) 2_666 2_666 ?
O2 Dy1 O4 77.21(10) . . ?
O2 Dy1 O4 105.12(9) 2_666 . ?
O2 Dy1 O5 70.70(9) 2_666 . ?
O2 Dy1 O5 90.97(9) . . ?
O2 Dy1 O7 124.75(8) 2_666 . ?
O2 Dy1 O7 157.96(10) . . ?
O2 Dy1 O8 123.47(8) . . ?
O2 Dy1 O8 172.77(9) 2_666 . ?
O2 Dy1 O10 115.06(9) 2_666 . ?
O2 Dy1 O10 124.58(9) . . ?
O2 Dy1 O12 78.51(9) . . ?
O2 Dy1 O12 72.27(9) 2_666 . ?
O2 Dy1 N2 93.13(9) 2_666 . ?
O2 Dy1 N2 102.39(9) . . ?
O2 Dy1 N4 82.92(9) . . ?
O2 Dy1 N4 87.24(9) 2_666 . ?
O3 Dy1 O5 74.85(9) 2_666 . ?
O3 Dy1 O8 113.79(9) 2_666 . ?
O3 Dy1 O12 80.09(9) 2_666 . ?
O3 Dy1 N2 75.17(8) 2_666 . ?
O3 Dy1 N4 99.67(9) 2_666 . ?
O4 Dy1 O1 78.44(9) . . ?
O4 Dy1 O3 124.24(9) . 2_666 ?
O4 Dy1 O5 51.57(9) . . ?
O4 Dy1 O7 81.11(10) . . ?
O4 Dy1 O8 69.95(10) . . ?
O4 Dy1 O12 152.58(9) . . ?
O4 Dy1 N2 157.68(9) . . ?
O4 Dy1 N4 25.93(9) . . ?
O5 Dy1 O8 102.13(9) . . ?
O5 Dy1 N2 149.84(9) . . ?
O5 Dy1 N4 25.66(9) . . ?
O7 Dy1 O3 67.57(9) . 2_666 ?
O7 Dy1 O5 72.27(9) . . ?
O7 Dy1 O8 50.17(8) . . ?
O7 Dy1 O12 123.50(9) . . ?
O7 Dy1 N2 99.15(9) . . ?
O7 Dy1 N4 75.82(10) . . ?
O8 Dy1 N2 92.92(10) . . ?
O8 Dy1 N4 86.33(10) . . ?
O10 Dy1 O1 82.47(9) . . ?
O10 Dy1 O3 75.52(9) . 2_666 ?
O10 Dy1 O4 139.80(10) . . ?
O10 Dy1 O5 142.50(9) . . ?
O10 Dy1 O7 75.49(9) . . ?
O10 Dy1 O8 69.94(10) . . ?
O10 Dy1 O12 51.60(9) . . ?
O10 Dy1 N2 25.79(9) . . ?
O10 Dy1 N4 150.47(9) . . ?
O12 Dy1 O5 141.55(9) . . ?
O12 Dy1 O8 114.60(9) . . ?
O12 Dy1 N2 25.87(9) . . ?
O12 Dy1 N4 157.46(9) . . ?
N4 Dy1 N2 174.00(9) . . ?
C12 O1 Dy1 120.2(2) . . ?
Dy1 O2 Dy1 121.18(9) . 2_666 ?
N1 O2 Dy1 119.68(19) . . ?
N1 O2 Dy1 118.21(19) . 2_666 ?
C1 O3 Dy1 118.7(2) . 2_666 ?
N4 O4 Dy1 97.7(2) . . ?
N4 O5 Dy1 94.2(2) . . ?
N3 O7 Dy1 100.0(2) . . ?
N3 O8 Dy1 94.3(2) . . ?
N2 O10 Dy1 98.5(2) . . ?
N2 O12 Dy1 94.4(2) . . ?
O2 N1 C1 116.3(3) . . ?
O2 N1 C12 116.3(3) . . ?
C12 N1 C1 127.4(3) . . ?
O10 N2 Dy1 55.71(18) . . ?
O11 N2 Dy1 173.9(2) . . ?
O11 N2 O10 121.6(3) . . ?
O11 N2 O12 123.1(3) . . ?
O12 N2 Dy1 59.73(18) . . ?
O12 N2 O10 115.3(3) . . ?
O7 N3 Dy1 54.97(17) . . ?
O8 N3 Dy1 60.52(18) . . ?
O8 N3 O7 115.5(3) . . ?
O9 N3 Dy1 176.1(3) . . ?
O9 N3 O7 121.6(3) . . ?
O9 N3 O8 122.9(3) . . ?
O4 N4 Dy1 56.38(19) . . ?
O5 N4 Dy1 60.15(18) . . ?
O5 N4 O4 116.5(3) . . ?
O6 N4 Dy1 176.8(3) . . ?
O6 N4 O4 120.9(4) . . ?
O6 N4 O5 122.6(4) . . ?
O3 C1 N1 118.6(3) . . ?
O3 C1 C2 125.4(3) . . ?
N1 C1 C2 116.0(3) . . ?
C3 C2 C1 120.2(3) . . ?
C3 C2 C7 120.6(3) . . ?
C7 C2 C1 119.2(3) . . ?
C2 C3 H3 120.1 . . ?
C2 C3 C4 119.8(4) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 H4 119.5 . . ?
C5 C4 C3 121.1(4) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 H5 119.7 . . ?
C4 C5 C6 120.7(3) . . ?
C6 C5 H5 119.7 . . ?
C7 C6 C5 118.2(4) . . ?
C11 C6 C5 122.9(3) . . ?
C11 C6 C7 118.8(4) . . ?
C2 C7 C6 119.6(3) . . ?
C2 C7 C8 121.8(3) . . ?
C8 C7 C6 118.6(4) . . ?
C7 C8 C12 118.7(3) . . ?
C9 C8 C7 121.0(3) . . ?
C9 C8 C12 120.2(3) . . ?
C8 C9 H9 119.9 . . ?
C8 C9 C10 120.2(4) . . ?
C10 C9 H9 119.9 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 C9 120.1(4) . . ?
C11 C10 H10 120.0 . . ?
C6 C11 H11 119.3 . . ?
C10 C11 C6 121.4(3) . . ?
C10 C11 H11 119.3 . . ?
O1 C12 N1 118.3(3) . . ?
O1 C12 C8 124.9(3) . . ?
N1 C12 C8 116.8(3) . . ?
N5 C13 C14 179.4(6) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C15 N6 C16 109.3(4) . . ?
C15 N6 C17 109.6(3) . . ?
C17 N6 C16 109.1(3) . . ?
C18 N6 C15 109.3(3) . . ?
C18 N6 C16 109.3(3) . . ?
C18 N6 C17 110.2(3) . . ?
N6 C15 H15A 109.5 . . ?
N6 C15 H15B 109.5 . . ?
N6 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N6 C16 H16A 109.5 . . ?
N6 C16 H16B 109.5 . . ?
N6 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N6 C17 H17A 109.5 . . ?
N6 C17 H17B 109.5 . . ?
N6 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N6 C18 H18A 109.5 . . ?
N6 C18 H18B 109.5 . . ?
N6 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
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 O1 2.441(2) . ?
Dy1 O2 2.377(2) 2_666 ?
Dy1 O2 2.364(2) . ?
Dy1 O3 2.469(2) 2_666 ?
Dy1 O4 2.433(3) . ?
Dy1 O5 2.518(3) . ?
Dy1 O7 2.452(3) . ?
Dy1 O8 2.575(3) . ?
Dy1 O10 2.426(3) . ?
Dy1 O12 2.516(3) . ?
Dy1 N2 2.904(3) . ?
Dy1 N4 2.895(3) . ?
O1 C12 1.239(4) . ?
O2 Dy1 2.377(2) 2_666 ?
O2 N1 1.355(3) . ?
O3 Dy1 2.469(2) 2_666 ?
O3 C1 1.228(4) . ?
O4 N4 1.277(4) . ?
O5 N4 1.257(4) . ?
O6 N4 1.223(5) . ?
O7 N3 1.266(4) . ?
O8 N3 1.258(4) . ?
O9 N3 1.222(4) . ?
O10 N2 1.278(4) . ?
O11 N2 1.218(4) . ?
O12 N2 1.271(4) . ?
N1 C1 1.382(5) . ?
N1 C12 1.368(5) . ?
C1 C2 1.467(5) . ?
C2 C3 1.384(5) . ?
C2 C7 1.412(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.398(5) . ?
C4 H4 0.9300 . ?
C4 C5 1.371(6) . ?
C5 H5 0.9300 . ?
C5 C6 1.424(6) . ?
C6 C7 1.423(5) . ?
C6 C11 1.405(6) . ?
C7 C8 1.418(5) . ?
C8 C9 1.369(5) . ?
C8 C12 1.465(5) . ?
C9 H9 0.9300 . ?
C9 C10 1.403(6) . ?
C10 H10 0.9300 . ?
C10 C11 1.371(6) . ?
C11 H11 0.9300 . ?
N5 C13 1.129(7) . ?
C13 C14 1.455(7) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
N6 C15 1.494(5) . ?
N6 C16 1.496(5) . ?
N6 C17 1.494(5) . ?
N6 C18 1.487(5) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
