#------------------------------------------------------------------------------
#$Date: 2021-05-05 11:53:34 +0300 (Wed, 05 May 2021) $
#$Revision: 264914 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/04/7060467.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_7060467
loop_
_publ_author_name
'Li, Hai-Ye'
'Pang, Xu-Hong'
'Tao, Ye'
'Huang, Fu-Ping'
'Zou, Hua-Hong'
'Liang, Fu-Pei'
_publ_section_title
;
 Regulating the solution structural integrity and slow magnetic relaxation
 behavior of two Dy6 clusters with a pyridine--triazole ligand
;
_journal_issue                   16
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              7096
_journal_page_last               7102
_journal_paper_doi               10.1039/D1NJ00140J
_journal_volume                  45
_journal_year                    2021
_chemical_formula_moiety         'C76 H86 Dy6 N32 O17, O2'
_chemical_formula_sum            'C76 H86 Dy6 N32 O19'
_chemical_formula_weight         2726.76
_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'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     heavy
_audit_creation_date             2021-02-19
_audit_creation_method
;
Olex2 1.3
(compiled 2020.06.28 svn.raecde09e for OlexSys, GUI svn.r6132)
;
_audit_update_record
;
2021-02-28 deposited with the CCDC.	2021-03-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.045(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.8929(15)
_cell_length_b                   18.115(2)
_cell_length_c                   21.769(3)
_cell_measurement_reflns_used    9928
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      26.42
_cell_measurement_theta_min      2.45
_cell_volume                     4529.2(10)
_computing_cell_refinement       'SAINT v8.27A (Bruker, 2012)'
_computing_data_collection       'Bruker SMART APEX II'
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'XS  (Sheldrick, 2008)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_av_unetI/netI     0.0320
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            44636
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.434
_diffrn_reflns_theta_min         1.484
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.971
_exptl_absorpt_correction_T_max  0.4512
_exptl_absorpt_correction_T_min  0.4253
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'metallic light yellow'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.999
_exptl_crystal_description       block
_exptl_crystal_F_000             2628
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.810
_refine_diff_density_min         -0.954
_refine_diff_density_rms         0.173
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     621
_refine_ls_number_reflns         9296
_refine_ls_number_restraints     65
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0542
_refine_ls_R_factor_gt           0.0354
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0497P)²+17.9863P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0888
_refine_ls_wR_factor_ref         0.1031
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7420
_reflns_number_total             9296
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1nj00140j2.cif
_cod_data_source_block           aaaa_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7060465--7060467.cif.'
_cod_original_cell_volume        4529.1(10)
_cod_database_code               7060467
_shelx_shelxl_version_number     2018/3
_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   0.503
_shelx_estimated_absorpt_t_min   0.468
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H1A of O1, H2A of O2, H3A of O10A, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, H6 of O6, H9 of O9
2. Restrained distances
 O6-H6
 0.85 with sigma of 0.01
 O4_$1-H3A
 2.5 with sigma of 0.02
 H3A-H15
 2.5 with sigma of 0.02
 H3A-Dy1_$1
 2.7 with sigma of 0.02
 O9-H9
 0.85 with sigma of 0.01
 O3-H3A
 0.85 with sigma of 0.02
 C33-H6
 1.897229 with sigma of 0.02
 C37-H9
 1.88308 with sigma of 0.02
3. Rigid bond restraints
 O6, C33, C34
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.005
4. Uiso/Uaniso restraints and constraints
C31 \\sim C32 \\sim C33 \\sim C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38 \\sim
O8: within -3.9A with sigma of 0.01 and sigma for terminal atoms of 0.02 within
-3.9A
Uanis(O10) = Uanis(O10A)
5. Others
 Sof(O10A)=1-FVAR(1)
 Sof(O10)=FVAR(1)
 Fixed Sof: O8(0.5)
6.a Riding coordinates:
 O1(H1A), O2(H2A)
6.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C23(H23A,H23B), C33(H33A,H33B), C35(H35A,H35B), C37(H37A,H37B)
6.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C12(H12), C13(H13), C14(H14), C15(H15),
 C16(H16), C17(H17), C18(H18), C19(H19), C27(H27), C28(H28), C29(H29), C30(H30)
6.d Idealised Me refined as rotating group:
 C32(H32A,H32B,H32C), C34(H34A,H34B,H34C), C36(H36A,H36B,H36C), C38(H38A,H38B,
 H38C)
;
_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
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.77191(3) 0.72516(2) 0.62651(2) 0.03008(9) Uani 1 1 d . . . . .
Dy2 Dy 0.66094(2) 0.53766(2) 0.51163(2) 0.02358(8) Uani 1 1 d . . . . .
Dy3 Dy 0.52059(2) 0.36135(2) 0.39335(2) 0.02707(9) Uani 1 1 d . . . . .
O1 O 0.6284(3) 0.6556(2) 0.55454(19) 0.0272(9) Uani 1 1 d . . . . .
H1A H 0.600487 0.683545 0.522901 0.033 Uiso 1 1 d R U . . .
O2 O 0.4963(3) 0.4759(2) 0.43935(18) 0.0239(8) Uani 1 1 d . . . . .
H2A H 0.471936 0.505450 0.408426 0.029 Uiso 1 1 d R U . . .
O3 O 0.3802(4) 0.2911(3) 0.3290(2) 0.0365(10) Uani 1 1 d D . . . .
O4 O 0.7627(5) 0.8442(3) 0.6692(3) 0.0482(13) Uani 1 1 d . . . . .
O5 O 0.7433(7) 0.9312(4) 0.5939(4) 0.092(2) Uani 1 1 d . . . . .
O6 O 0.7150(5) 0.8047(3) 0.5373(3) 0.0511(13) Uani 1 1 d D U . . .
H6 H 0.713(9) 0.8500(9) 0.548(2) 0.077 Uiso 1 1 d D U . . .
O7 O 0.5940(5) 0.6210(3) 0.4259(2) 0.0451(12) Uani 1 1 d . . . . .
O9 O 0.4605(5) 0.4416(3) 0.3028(2) 0.0522(14) Uani 1 1 d D . . . .
H9 H 0.468(8) 0.4879(9) 0.3113(16) 0.078 Uiso 1 1 d D U . . .
N1 N 0.8807(5) 0.7061(3) 0.7465(3) 0.0387(13) Uani 1 1 d . . . . .
N2 N 0.8058(5) 0.5972(3) 0.6589(2) 0.0329(12) Uani 1 1 d . . . . .
N3 N 0.7798(4) 0.5327(3) 0.6259(2) 0.0293(11) Uani 1 1 d . . . . .
N4 N 0.8871(5) 0.5060(3) 0.7242(3) 0.0412(14) Uani 1 1 d . . . . .
N5 N 0.6929(4) 0.4066(3) 0.5455(2) 0.0284(11) Uani 1 1 d . . . . .
N6 N 0.6388(5) 0.3538(3) 0.5027(2) 0.0334(12) Uani 1 1 d . . . . .
N7 N 0.7454(5) 0.2948(3) 0.5881(3) 0.0386(13) Uani 1 1 d . . . . .
N8 N 0.5663(5) 0.2252(3) 0.4386(3) 0.0354(13) Uani 1 1 d . . . . .
N9 N 0.9740(5) 0.7831(3) 0.6292(3) 0.0397(13) Uani 1 1 d . . . . .
N10 N 0.8729(5) 0.6664(3) 0.5555(3) 0.0340(12) Uani 1 1 d . . . . .
N11 N 0.8446(5) 0.6081(3) 0.5140(2) 0.0316(12) Uani 1 1 d . . . . .
N12 N 1.0089(5) 0.6610(3) 0.5017(3) 0.0401(14) Uani 1 1 d . . . . .
N13 N 0.7576(5) 0.4843(3) 0.4329(3) 0.0325(12) Uani 1 1 d . . . . .
N14 N 0.7018(5) 0.4254(3) 0.3978(2) 0.0318(12) Uani 1 1 d . . . . .
N15 N 0.8596(5) 0.4512(3) 0.3637(3) 0.0399(14) Uani 1 1 d . . . . .
N16 N 0.6360(5) 0.3106(3) 0.3154(3) 0.0380(13) Uani 1 1 d . . . . .
C1 C 0.9096(7) 0.7585(5) 0.7914(4) 0.0507(19) Uani 1 1 d . . . . .
H1 H 0.889718 0.807095 0.779595 0.061 Uiso 1 1 calc R U . . .
C2 C 0.9670(7) 0.7446(5) 0.8539(4) 0.056(2) Uani 1 1 d . . . . .
H2 H 0.985692 0.782711 0.883453 0.067 Uiso 1 1 calc R U . . .
C3 C 0.9955(8) 0.6735(5) 0.8711(4) 0.059(2) Uani 1 1 d . . . . .
H3 H 1.035586 0.662852 0.912791 0.071 Uiso 1 1 calc R U . . .
C4 C 0.9657(8) 0.6170(5) 0.8275(4) 0.056(2) Uani 1 1 d . . . . .
H4 H 0.983404 0.568127 0.839120 0.067 Uiso 1 1 calc R U . . .
C5 C 0.9084(6) 0.6362(4) 0.7657(3) 0.0400(16) Uani 1 1 d . . . . .
C6 C 0.8691(6) 0.5794(4) 0.7162(3) 0.0393(16) Uani 1 1 d . . . . .
C7 C 0.8299(6) 0.4802(4) 0.6673(3) 0.0320(14) Uani 1 1 d . . . . .
C8 C 0.8298(7) 0.4000(4) 0.6557(3) 0.0418(17) Uani 1 1 d . . . . .
H8A H 0.807304 0.375823 0.690457 0.050 Uiso 1 1 calc R U . . .
H8B H 0.909530 0.385474 0.658549 0.050 Uiso 1 1 calc R U . . .
C9 C 0.7551(6) 0.3686(4) 0.5947(3) 0.0325(14) Uani 1 1 d . . . . .
C10 C 0.6741(5) 0.2889(4) 0.5306(3) 0.0310(14) Uani 1 1 d . . . . .
C11 C 0.6339(6) 0.2192(4) 0.4988(3) 0.0392(16) Uani 1 1 d . . . . .
C12 C 0.6614(8) 0.1513(4) 0.5293(4) 0.054(2) Uani 1 1 d . . . . .
H12 H 0.707991 0.148931 0.570743 0.065 Uiso 1 1 calc R U . . .
C13 C 0.6178(9) 0.0876(5) 0.4966(5) 0.062(2) Uani 1 1 d . . . . .
H13 H 0.636866 0.041476 0.515224 0.074 Uiso 1 1 calc R U . . .
C14 C 0.5473(8) 0.0934(4) 0.4372(5) 0.056(2) Uani 1 1 d . . . . .
H14 H 0.514813 0.051327 0.415048 0.068 Uiso 1 1 calc R U . . .
C15 C 0.5236(7) 0.1626(4) 0.4093(4) 0.0470(18) Uani 1 1 d . . . . .
H15 H 0.475591 0.165472 0.368193 0.056 Uiso 1 1 calc DR U . . .
C16 C 1.0232(7) 0.8409(5) 0.6647(4) 0.051(2) Uani 1 1 d . . . . .
H16 H 0.988256 0.858665 0.695324 0.062 Uiso 1 1 calc R U . . .
C17 C 1.1227(7) 0.8753(5) 0.6581(4) 0.057(2) Uani 1 1 d . . . . .
H17 H 1.153699 0.915597 0.683236 0.068 Uiso 1 1 calc R U . . .
C18 C 1.1752(8) 0.8481(5) 0.6131(5) 0.066(3) Uani 1 1 d . . . . .
H18 H 1.243103 0.869737 0.608001 0.079 Uiso 1 1 calc R U . . .
C19 C 1.1268(7) 0.7893(5) 0.5761(4) 0.055(2) Uani 1 1 d . . . . .
H19 H 1.160941 0.770812 0.545358 0.066 Uiso 1 1 calc R U . . .
C20 C 1.0263(6) 0.7580(4) 0.5851(3) 0.0363(15) Uani 1 1 d . . . . .
C21 C 0.9707(6) 0.6942(4) 0.5466(3) 0.0341(14) Uani 1 1 d . . . . .
C22 C 0.9294(6) 0.6077(4) 0.4829(3) 0.0366(15) Uani 1 1 d . . . . .
C23 C 0.9382(7) 0.5553(4) 0.4321(4) 0.0470(19) Uani 1 1 d . . . . .
H23A H 0.939731 0.584415 0.394921 0.056 Uiso 1 1 calc R U . . .
H23B H 1.013334 0.531148 0.445924 0.056 Uiso 1 1 calc R U . . .
C24 C 0.8510(6) 0.4972(4) 0.4109(3) 0.0354(15) Uani 1 1 d . . . . .
C25 C 0.7659(6) 0.4087(4) 0.3579(3) 0.0337(14) Uani 1 1 d . . . . .
C26 C 0.7307(6) 0.3483(4) 0.3119(3) 0.0361(15) Uani 1 1 d . . . . .
C27 C 0.7924(7) 0.3335(4) 0.2675(4) 0.0471(18) Uani 1 1 d . . . . .
H27 H 0.858960 0.360284 0.267357 0.057 Uiso 1 1 calc R U . . .
C28 C 0.7539(8) 0.2789(5) 0.2240(4) 0.058(2) Uani 1 1 d . . . . .
H28 H 0.793429 0.268534 0.193369 0.070 Uiso 1 1 calc R U . . .
C29 C 0.6561(8) 0.2393(5) 0.2259(4) 0.059(2) Uani 1 1 d . . . . .
H29 H 0.628038 0.202093 0.196476 0.070 Uiso 1 1 calc R U . . .
C30 C 0.6003(7) 0.2561(5) 0.2728(4) 0.054(2) Uani 1 1 d . . . . .
H30 H 0.535473 0.228542 0.274864 0.065 Uiso 1 1 calc R U . . .
C31 C 0.7599(9) 0.9109(5) 0.6522(6) 0.068(3) Uani 1 1 d . U . . .
C32 C 0.7819(13) 0.9684(6) 0.7045(7) 0.114(4) Uani 1 1 d . U . . .
H32A H 0.726925 0.962144 0.729513 0.171 Uiso 1 1 calc R U . . .
H32B H 0.773332 1.016846 0.685950 0.171 Uiso 1 1 calc R U . . .
H32C H 0.859526 0.962781 0.731248 0.171 Uiso 1 1 calc R U . . .
C33 C 0.7253(15) 0.8023(8) 0.4728(5) 0.120(4) Uani 1 1 d D U . . .
H33A H 0.805029 0.814492 0.473382 0.144 Uiso 1 1 calc R U . . .
H33B H 0.711570 0.751909 0.457619 0.144 Uiso 1 1 calc R U . . .
C34 C 0.6522(19) 0.8481(11) 0.4290(7) 0.186(7) Uani 1 1 d . U . . .
H34A H 0.662540 0.839016 0.387425 0.279 Uiso 1 1 calc R U . . .
H34B H 0.670564 0.898737 0.440509 0.279 Uiso 1 1 calc R U . . .
H34C H 0.572772 0.838426 0.428941 0.279 Uiso 1 1 calc R U . . .
C35 C 0.5800(11) 0.6176(6) 0.3681(5) 0.081(3) Uani 1 1 d . U . . .
H35A H 0.500260 0.631820 0.348154 0.097 Uiso 1 1 calc R U . A 1
H35B H 0.588053 0.566233 0.357284 0.097 Uiso 1 1 calc R U . A 1
C36 C 0.6556(13) 0.6611(8) 0.3392(6) 0.112(4) Uani 1 1 d . U . . .
H36A H 0.635775 0.712421 0.340057 0.168 Uiso 1 1 calc R U . . .
H36B H 0.645534 0.645685 0.295882 0.168 Uiso 1 1 calc R U . . .
H36C H 0.735217 0.653983 0.362448 0.168 Uiso 1 1 calc R U . . .
C37 C 0.4225(15) 0.4346(8) 0.2364(6) 0.128(5) Uani 1 1 d D U . . .
H37A H 0.483990 0.410324 0.222145 0.153 Uiso 1 1 calc R U . . .
H37B H 0.356029 0.401543 0.226881 0.153 Uiso 1 1 calc R U . . .
C38 C 0.3922(17) 0.4955(9) 0.2011(7) 0.156(6) Uani 1 1 d . U . . .
H38A H 0.445013 0.502762 0.174968 0.234 Uiso 1 1 calc R U . . .
H38B H 0.395516 0.537360 0.228571 0.234 Uiso 1 1 calc R U . . .
H38C H 0.314470 0.489992 0.174606 0.234 Uiso 1 1 calc R U . . .
O8 O 0.4878(13) 0.5797(6) 0.3332(5) 0.068(3) Uani 0.5 1 d . U P B 2
O10 O 0.9487(16) 0.9812(11) 0.5011(11) 0.137(5) Uani 0.586(13) 1 d . . P C 1
O10A O 0.901(2) 1.0167(15) 0.5423(15) 0.137(5) Uani 0.414(13) 1 d . . P C 2
H3A H 0.3600(19) 0.2583(10) 0.2956(9) 0.164 Uiso 1 1 d D U . . .
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
_geom_angle_publ_flag
O1 Dy1 Dy3 37.63(10) . 3_666 ?
O1 Dy1 O4 130.52(17) . . ?
O1 Dy1 O6 77.14(17) . . ?
O1 Dy1 N1 132.58(16) . . ?
O1 Dy1 N2 73.69(16) . . ?
O1 Dy1 N9 137.13(16) . . ?
O1 Dy1 N10 74.70(16) . . ?
O3 Dy1 Dy3 34.74(11) 3_666 3_666 ?
O3 Dy1 O1 72.34(15) 3_666 . ?
O3 Dy1 O4 80.08(17) 3_666 . ?
O3 Dy1 O6 109.69(19) 3_666 . ?
O3 Dy1 N1 78.49(17) 3_666 . ?
O3 Dy1 N2 81.01(18) 3_666 . ?
O3 Dy1 N9 150.40(17) 3_666 . ?
O3 Dy1 N10 142.13(17) 3_666 . ?
O4 Dy1 Dy3 106.95(13) . 3_666 ?
O4 Dy1 O6 74.66(19) . . ?
O4 Dy1 N1 77.82(19) . . ?
O4 Dy1 N2 141.18(18) . . ?
O4 Dy1 N9 76.15(19) . . ?
O4 Dy1 N10 136.87(18) . . ?
O6 Dy1 Dy3 95.79(15) . 3_666 ?
O6 Dy1 N1 149.18(19) . . ?
O6 Dy1 N2 143.99(18) . . ?
O6 Dy1 N9 80.7(2) . . ?
O6 Dy1 N10 80.12(19) . . ?
N1 Dy1 Dy3 105.32(13) . 3_666 ?
N2 Dy1 Dy3 73.27(13) . 3_666 ?
N2 Dy1 N1 65.34(18) . . ?
N2 Dy1 N9 107.18(19) . . ?
N2 Dy1 N10 72.22(18) . . ?
N9 Dy1 Dy3 174.67(13) . 3_666 ?
N9 Dy1 N1 79.46(18) . . ?
N10 Dy1 Dy3 109.96(13) . 3_666 ?
N10 Dy1 N1 112.21(19) . . ?
N10 Dy1 N9 65.57(18) . . ?
Dy3 Dy2 Dy2 64.664(11) 3_666 3_666 ?
O1 Dy2 Dy2 96.19(10) . 3_666 ?
O1 Dy2 Dy3 36.23(10) . 3_666 ?
O1 Dy2 O2 118.35(13) . . ?
O1 Dy2 N3 75.74(15) . . ?
O1 Dy2 N5 139.60(15) . . ?
O1 Dy2 N11 76.56(15) . . ?
O1 Dy2 N13 139.58(16) . . ?
O2 Dy2 Dy2 34.42(9) . 3_666 ?
O2 Dy2 Dy2 35.20(9) 3_666 3_666 ?
O2 Dy2 Dy3 95.57(9) . 3_666 ?
O2 Dy2 Dy3 36.05(9) 3_666 3_666 ?
O2 Dy2 O1 72.21(14) 3_666 . ?
O2 Dy2 O2 69.63(15) 3_666 . ?
O2 Dy2 N3 140.29(15) . . ?
O2 Dy2 N3 81.91(15) 3_666 . ?
O2 Dy2 N5 77.81(15) . . ?
O2 Dy2 N5 81.21(15) 3_666 . ?
O2 Dy2 N11 142.34(15) . . ?
O2 Dy2 N11 144.70(15) 3_666 . ?
O2 Dy2 N13 145.05(16) 3_666 . ?
O2 Dy2 N13 79.35(15) . . ?
O7 Dy2 Dy2 90.15(13) . 3_666 ?
O7 Dy2 Dy3 89.97(12) . 3_666 ?
O7 Dy2 O1 71.63(16) . . ?
O7 Dy2 O2 74.65(16) . . ?
O7 Dy2 O2 105.92(16) . 3_666 ?
O7 Dy2 N3 141.80(18) . . ?
O7 Dy2 N5 146.68(17) . . ?
O7 Dy2 N11 78.81(18) . . ?
O7 Dy2 N13 80.00(18) . . ?
N3 Dy2 Dy2 112.85(12) . 3_666 ?
N3 Dy2 Dy3 74.57(12) . 3_666 ?
N5 Dy2 Dy2 77.17(12) . 3_666 ?
N5 Dy2 Dy3 111.18(12) . 3_666 ?
N5 Dy2 N3 70.76(17) . . ?
N5 Dy2 N11 114.38(17) . . ?
N5 Dy2 N13 76.78(17) . . ?
N11 Dy2 Dy2 168.22(13) . 3_666 ?
N11 Dy2 Dy3 110.78(12) . 3_666 ?
N11 Dy2 N3 74.74(17) . . ?
N13 Dy2 Dy2 112.37(13) . 3_666 ?
N13 Dy2 Dy3 169.64(13) . 3_666 ?
N13 Dy2 N3 115.07(18) . . ?
N13 Dy2 N11 70.03(17) . . ?
Dy1 Dy3 Dy2 67.891(11) 3_666 3_666 ?
O1 Dy3 Dy1 37.64(10) 3_666 3_666 ?
O1 Dy3 Dy2 37.01(10) 3_666 3_666 ?
O1 Dy3 O9 111.87(18) 3_666 . ?
O1 Dy3 N6 80.67(16) 3_666 . ?
O1 Dy3 N8 78.96(15) 3_666 . ?
O1 Dy3 N14 144.39(15) 3_666 . ?
O1 Dy3 N16 148.64(16) 3_666 . ?
O2 Dy3 Dy1 101.86(10) . 3_666 ?
O2 Dy3 Dy2 36.76(9) . 3_666 ?
O2 Dy3 O1 73.71(14) . 3_666 ?
O2 Dy3 O9 76.87(16) . . ?
O2 Dy3 N6 74.74(16) . . ?
O2 Dy3 N8 134.11(15) . . ?
O2 Dy3 N14 76.55(15) . . ?
O2 Dy3 N16 136.90(16) . . ?
O3 Dy3 Dy1 34.92(11) . 3_666 ?
O3 Dy3 Dy2 100.01(11) . 3_666 ?
O3 Dy3 O1 72.53(15) . 3_666 ?
O3 Dy3 O2 127.20(15) . . ?
O3 Dy3 O9 79.55(19) . . ?
O3 Dy3 N6 135.85(18) . . ?
O3 Dy3 N8 75.84(17) . . ?
O3 Dy3 N14 142.72(16) . . ?
O3 Dy3 N16 80.10(17) . . ?
O9 Dy3 Dy1 95.11(15) . 3_666 ?
O9 Dy3 Dy2 93.73(14) . 3_666 ?
O9 Dy3 N6 144.02(19) . . ?
O9 Dy3 N8 148.55(18) . . ?
O9 Dy3 N14 79.4(2) . . ?
O9 Dy3 N16 76.97(19) . . ?
N6 Dy3 Dy1 111.95(13) . 3_666 ?
N6 Dy3 Dy2 76.21(13) . 3_666 ?
N6 Dy3 N8 64.87(18) . . ?
N6 Dy3 N16 110.37(18) . . ?
N8 Dy3 Dy1 75.44(12) . 3_666 ?
N8 Dy3 Dy2 109.49(12) . 3_666 ?
N14 Dy3 Dy1 174.45(13) . 3_666 ?
N14 Dy3 Dy2 111.72(12) . 3_666 ?
N14 Dy3 N6 72.92(18) . . ?
N14 Dy3 N8 109.54(18) . . ?
N14 Dy3 N16 65.37(17) . . ?
N16 Dy3 Dy1 114.06(13) . 3_666 ?
N16 Dy3 Dy2 170.56(13) . 3_666 ?
N16 Dy3 N8 79.76(18) . . ?
Dy1 O1 Dy2 124.84(17) . . ?
Dy1 O1 H1A 106.4 . . ?
Dy2 O1 H1A 106.5 . . ?
Dy3 O1 Dy1 104.73(15) 3_666 . ?
Dy3 O1 Dy2 106.77(16) 3_666 . ?
Dy3 O1 H1A 106.4 3_666 . ?
Dy2 O2 Dy2 110.37(14) 3_666 . ?
Dy2 O2 H2A 105.8 . . ?
Dy2 O2 H2A 105.8 3_666 . ?
Dy3 O2 Dy2 120.77(16) . . ?
Dy3 O2 Dy2 107.19(15) . 3_666 ?
Dy3 O2 H2A 105.8 . . ?
Dy1 O3 H3A 100.4(12) 3_666 . ?
Dy3 O3 Dy1 110.33(18) . 3_666 ?
Dy3 O3 H3A 147.9(13) . . ?
C31 O4 Dy1 139.4(6) . . ?
Dy1 O6 H6 113(3) . . ?
C33 O6 Dy1 134.6(7) . . ?
C33 O6 H6 107(2) . . ?
C35 O7 Dy2 134.6(6) . . ?
Dy3 O9 H9 115(2) . . ?
C37 O9 Dy3 137.5(7) . . ?
C37 O9 H9 107(2) . . ?
C1 N1 Dy1 126.8(5) . . ?
C1 N1 C5 116.4(6) . . ?
C5 N1 Dy1 116.7(4) . . ?
N3 N2 Dy1 131.9(4) . . ?
C6 N2 Dy1 121.3(4) . . ?
C6 N2 N3 106.5(5) . . ?
N2 N3 Dy2 118.7(4) . . ?
C7 N3 Dy2 136.5(4) . . ?
C7 N3 N2 104.7(5) . . ?
C7 N4 C6 101.5(5) . . ?
N6 N5 Dy2 117.1(3) . . ?
C9 N5 Dy2 138.2(4) . . ?
C9 N5 N6 104.5(5) . . ?
N5 N6 Dy3 132.4(4) . . ?
C10 N6 Dy3 121.7(4) . . ?
C10 N6 N5 105.5(5) . . ?
C10 N7 C9 101.3(5) . . ?
C11 N8 Dy3 116.5(4) . . ?
C15 N8 Dy3 126.5(5) . . ?
C15 N8 C11 116.8(6) . . ?
C16 N9 Dy1 126.0(5) . . ?
C16 N9 C20 117.3(6) . . ?
C20 N9 Dy1 116.1(4) . . ?
N11 N10 Dy1 132.5(4) . . ?
C21 N10 Dy1 121.5(4) . . ?
C21 N10 N11 105.7(5) . . ?
N10 N11 Dy2 117.8(4) . . ?
C22 N11 Dy2 137.9(4) . . ?
C22 N11 N10 104.3(5) . . ?
C21 N12 C22 101.7(5) . . ?
N14 N13 Dy2 116.1(4) . . ?
C24 N13 Dy2 138.7(4) . . ?
C24 N13 N14 105.2(5) . . ?
N13 N14 Dy3 133.4(4) . . ?
C25 N14 Dy3 121.2(4) . . ?
C25 N14 N13 105.3(5) . . ?
C25 N15 C24 101.7(5) . . ?
C26 N16 Dy3 116.7(4) . . ?
C26 N16 C30 117.1(6) . . ?
C30 N16 Dy3 125.6(5) . . ?
N1 C1 H1 118.1 . . ?
N1 C1 C2 123.9(8) . . ?
C2 C1 H1 118.1 . . ?
C1 C2 H2 121.0 . . ?
C3 C2 C1 117.9(8) . . ?
C3 C2 H2 121.0 . . ?
C2 C3 H3 119.5 . . ?
C2 C3 C4 120.9(8) . . ?
C4 C3 H3 119.5 . . ?
C3 C4 H4 121.4 . . ?
C3 C4 C5 117.2(8) . . ?
C5 C4 H4 121.4 . . ?
N1 C5 C4 123.7(7) . . ?
N1 C5 C6 115.1(6) . . ?
C4 C5 C6 121.2(7) . . ?
N2 C6 N4 113.3(6) . . ?
N2 C6 C5 121.0(6) . . ?
N4 C6 C5 125.6(6) . . ?
N3 C7 C8 127.2(6) . . ?
N4 C7 N3 114.0(6) . . ?
N4 C7 C8 118.8(6) . . ?
C7 C8 H8A 107.4 . . ?
C7 C8 H8B 107.4 . . ?
C7 C8 C9 119.8(6) . . ?
H8A C8 H8B 106.9 . . ?
C9 C8 H8A 107.4 . . ?
C9 C8 H8B 107.4 . . ?
N5 C9 N7 114.5(6) . . ?
N5 C9 C8 126.5(6) . . ?
N7 C9 C8 118.9(6) . . ?
N6 C10 C11 121.2(6) . . ?
N7 C10 N6 114.1(6) . . ?
N7 C10 C11 124.7(6) . . ?
N8 C11 C10 115.4(6) . . ?
N8 C11 C12 122.6(7) . . ?
C12 C11 C10 122.0(7) . . ?
C11 C12 H12 120.6 . . ?
C13 C12 C11 118.7(8) . . ?
C13 C12 H12 120.6 . . ?
C12 C13 H13 120.5 . . ?
C14 C13 C12 118.9(8) . . ?
C14 C13 H13 120.5 . . ?
C13 C14 H14 120.2 . . ?
C13 C14 C15 119.6(8) . . ?
C15 C14 H14 120.2 . . ?
N8 C15 C14 123.3(8) . . ?
N8 C15 H15 118.3 . . ?
C14 C15 H15 118.3 . . ?
N9 C16 H16 118.3 . . ?
N9 C16 C17 123.4(7) . . ?
C17 C16 H16 118.3 . . ?
C16 C17 H17 120.9 . . ?
C16 C17 C18 118.2(8) . . ?
C18 C17 H17 120.9 . . ?
C17 C18 H18 120.1 . . ?
C19 C18 C17 119.8(8) . . ?
C19 C18 H18 120.1 . . ?
C18 C19 H19 120.6 . . ?
C18 C19 C20 118.8(8) . . ?
C20 C19 H19 120.6 . . ?
N9 C20 C19 122.6(7) . . ?
N9 C20 C21 116.4(6) . . ?
C19 C20 C21 121.0(7) . . ?
N10 C21 C20 119.5(6) . . ?
N12 C21 N10 114.7(6) . . ?
N12 C21 C20 125.8(6) . . ?
N11 C22 C23 125.7(6) . . ?
N12 C22 N11 113.7(6) . . ?
N12 C22 C23 120.6(6) . . ?
C22 C23 H23A 107.1 . . ?
C22 C23 H23B 107.1 . . ?
H23A C23 H23B 106.8 . . ?
C24 C23 C22 120.9(6) . . ?
C24 C23 H23A 107.1 . . ?
C24 C23 H23B 107.1 . . ?
N13 C24 N15 113.5(6) . . ?
N13 C24 C23 126.7(6) . . ?
N15 C24 C23 119.7(6) . . ?
N14 C25 N15 114.3(6) . . ?
N14 C25 C26 120.3(6) . . ?
N15 C25 C26 125.4(6) . . ?
N16 C26 C25 115.9(6) . . ?
N16 C26 C27 123.3(6) . . ?
C27 C26 C25 120.8(6) . . ?
C26 C27 H27 120.5 . . ?
C28 C27 C26 118.9(7) . . ?
C28 C27 H27 120.5 . . ?
C27 C28 H28 120.3 . . ?
C27 C28 C29 119.4(7) . . ?
C29 C28 H28 120.3 . . ?
C28 C29 H29 120.8 . . ?
C28 C29 C30 118.4(7) . . ?
C30 C29 H29 120.8 . . ?
N16 C30 C29 122.9(8) . . ?
N16 C30 H30 118.5 . . ?
C29 C30 H30 118.5 . . ?
O4 C31 O5 123.3(9) . . ?
O4 C31 C32 116.9(10) . . ?
O5 C31 C32 119.8(10) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O6 C33 H33A 108.0 . . ?
O6 C33 H33B 108.0 . . ?
H33A C33 H33B 107.3 . . ?
C34 C33 O6 117.0(14) . . ?
C34 C33 H33A 108.0 . . ?
C34 C33 H33B 108.0 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O7 C35 H35A 107.6 . . ?
O7 C35 H35B 107.6 . . ?
O7 C35 C36 118.8(12) . . ?
O7 C35 O8 118.6(11) . . ?
H35A C35 H35B 107.0 . . ?
C36 C35 H35A 107.6 . . ?
C36 C35 H35B 107.6 . . ?
O8 C35 C36 122.3(11) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O9 C37 H37A 107.6 . . ?
O9 C37 H37B 107.6 . . ?
H37A C37 H37B 107.0 . . ?
C38 C37 O9 118.8(13) . . ?
C38 C37 H37A 107.6 . . ?
C38 C37 H37B 107.6 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 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 Dy3 3.7368(6) 3_666 ?
Dy1 O1 2.360(4) . ?
Dy1 O3 2.281(4) 3_666 ?
Dy1 O4 2.362(5) . ?
Dy1 O6 2.371(5) . ?
Dy1 N1 2.620(6) . ?
Dy1 N2 2.425(5) . ?
Dy1 N9 2.609(6) . ?
Dy1 N10 2.434(5) . ?
Dy2 Dy2 3.9706(7) 3_666 ?
Dy2 Dy3 3.8218(5) 3_666 ?
Dy2 O1 2.403(4) . ?
Dy2 O2 2.442(4) . ?
Dy2 O2 2.394(4) 3_666 ?
Dy2 O7 2.371(5) . ?
Dy2 N3 2.524(5) . ?
Dy2 N5 2.485(5) . ?
Dy2 N11 2.518(5) . ?
Dy2 N13 2.494(5) . ?
Dy3 O1 2.359(4) 3_666 ?
Dy3 O2 2.354(4) . ?
Dy3 O3 2.271(5) . ?
Dy3 O9 2.403(5) . ?
Dy3 N6 2.434(5) . ?
Dy3 N8 2.660(6) . ?
Dy3 N14 2.428(5) . ?
Dy3 N16 2.611(5) . ?
O1 H1A 0.8502 . ?
O2 H2A 0.8500 . ?
O3 H3A 0.922(18) . ?
O4 C31 1.261(11) . ?
O5 C31 1.287(13) . ?
O6 H6 0.854(10) . ?
O6 C33 1.442(13) . ?
O7 C35 1.227(11) . ?
O9 H9 0.859(10) . ?
O9 C37 1.404(13) . ?
N1 C1 1.341(9) . ?
N1 C5 1.348(9) . ?
N2 N3 1.364(7) . ?
N2 C6 1.319(9) . ?
N3 C7 1.339(8) . ?
N4 C6 1.351(9) . ?
N4 C7 1.334(8) . ?
N5 N6 1.373(7) . ?
N5 C9 1.327(8) . ?
N6 C10 1.340(8) . ?
N7 C9 1.347(9) . ?
N7 C10 1.322(8) . ?
N8 C11 1.353(9) . ?
N8 C15 1.334(9) . ?
N9 C16 1.342(9) . ?
N9 C20 1.351(9) . ?
N10 N11 1.374(7) . ?
N10 C21 1.328(8) . ?
N11 C22 1.353(8) . ?
N12 C21 1.324(9) . ?
N12 C22 1.339(9) . ?
N13 N14 1.378(7) . ?
N13 C24 1.339(8) . ?
N14 C25 1.330(8) . ?
N15 C24 1.346(8) . ?
N15 C25 1.334(9) . ?
N16 C26 1.337(9) . ?
N16 C30 1.345(9) . ?
C1 H1 0.9300 . ?
C1 C2 1.379(11) . ?
C2 H2 0.9300 . ?
C2 C3 1.359(12) . ?
C3 H3 0.9300 . ?
C3 C4 1.377(11) . ?
C4 H4 0.9300 . ?
C4 C5 1.387(10) . ?
C5 C6 1.474(10) . ?
C7 C8 1.475(9) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.504(9) . ?
C10 C11 1.460(10) . ?
C11 C12 1.395(11) . ?
C12 H12 0.9300 . ?
C12 C13 1.385(12) . ?
C13 H13 0.9300 . ?
C13 C14 1.351(13) . ?
C14 H14 0.9300 . ?
C14 C15 1.390(12) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C16 C17 1.377(11) . ?
C17 H17 0.9300 . ?
C17 C18 1.381(12) . ?
C18 H18 0.9300 . ?
C18 C19 1.369(12) . ?
C19 H19 0.9300 . ?
C19 C20 1.383(10) . ?
C20 C21 1.479(10) . ?
C22 C23 1.482(10) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C24 1.465(10) . ?
C25 C26 1.468(9) . ?
C26 C27 1.382(9) . ?
C27 H27 0.9300 . ?
C27 C28 1.363(11) . ?
C28 H28 0.9300 . ?
C28 C29 1.377(12) . ?
C29 H29 0.9300 . ?
C29 C30 1.388(11) . ?
C30 H30 0.9300 . ?
C31 C32 1.516(14) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C33 C34 1.387(19) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 C36 1.457(16) . ?
C35 O8 1.348(17) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C37 C38 1.339(18) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
O10 O10 1.41(3) 3_776 ?
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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O4 C31 O5 11.4(16) . . . . ?
Dy1 O4 C31 C32 -166.2(8) . . . . ?
Dy1 O6 C33 C34 161.5(12) . . . . ?
Dy1 N1 C1 C2 179.9(6) . . . . ?
Dy1 N1 C5 C4 -179.9(6) . . . . ?
Dy1 N1 C5 C6 -2.1(8) . . . . ?
Dy1 N2 N3 Dy2 -5.7(7) . . . . ?
Dy1 N2 N3 C7 174.0(4) . . . . ?
Dy1 N2 C6 N4 -174.7(4) . . . . ?
Dy1 N2 C6 C5 8.5(9) . . . . ?
Dy1 N9 C16 C17 -171.1(7) . . . . ?
Dy1 N9 C20 C19 172.5(6) . . . . ?
Dy1 N9 C20 C21 -7.9(8) . . . . ?
Dy1 N10 N11 Dy2 -5.1(7) . . . . ?
Dy1 N10 N11 C22 172.9(5) . . . . ?
Dy1 N10 C21 N12 -173.1(5) . . . . ?
Dy1 N10 C21 C20 6.1(8) . . . . ?
Dy2 O7 C35 C36 -111.4(11) . . . . ?
Dy2 O7 C35 O8 75.3(12) . . . . ?
Dy2 N3 C7 N4 179.0(4) . . . . ?
Dy2 N3 C7 C8 0.4(11) . . . . ?
Dy2 N5 N6 Dy3 3.9(7) . . . . ?
Dy2 N5 N6 C10 176.9(4) . . . . ?
Dy2 N5 C9 N7 -176.6(5) . . . . ?
Dy2 N5 C9 C8 5.1(11) . . . . ?
Dy2 N11 C22 N12 177.4(5) . . . . ?
Dy2 N11 C22 C23 -2.0(12) . . . . ?
Dy2 N13 N14 Dy3 2.0(7) . . . . ?
Dy2 N13 N14 C25 177.5(4) . . . . ?
Dy2 N13 C24 N15 -176.7(5) . . . . ?
Dy2 N13 C24 C23 1.8(12) . . . . ?
Dy3 O9 C37 C38 177.6(12) . . . . ?
Dy3 N6 C10 N7 174.7(4) . . . . ?
Dy3 N6 C10 C11 -6.0(8) . . . . ?
Dy3 N8 C11 C10 -0.8(7) . . . . ?
Dy3 N8 C11 C12 177.7(6) . . . . ?
Dy3 N8 C15 C14 -176.9(6) . . . . ?
Dy3 N14 C25 N15 176.5(4) . . . . ?
Dy3 N14 C25 C26 -2.8(8) . . . . ?
Dy3 N16 C26 C25 6.9(8) . . . . ?
Dy3 N16 C26 C27 -172.0(6) . . . . ?
Dy3 N16 C30 C29 169.5(7) . . . . ?
N1 C1 C2 C3 -0.3(14) . . . . ?
N1 C5 C6 N2 -3.8(10) . . . . ?
N1 C5 C6 N4 179.8(7) . . . . ?
N2 N3 C7 N4 -0.6(7) . . . . ?
N2 N3 C7 C8 -179.2(7) . . . . ?
N3 N2 C6 N4 -0.4(8) . . . . ?
N3 N2 C6 C5 -177.3(6) . . . . ?
N3 C7 C8 C9 -8.5(11) . . . . ?
N4 C7 C8 C9 173.1(6) . . . . ?
N5 N6 C10 N7 0.8(7) . . . . ?
N5 N6 C10 C11 180.0(6) . . . . ?
N6 N5 C9 N7 -0.6(7) . . . . ?
N6 N5 C9 C8 -178.8(6) . . . . ?
N6 C10 C11 N8 4.4(9) . . . . ?
N6 C10 C11 C12 -174.1(7) . . . . ?
N7 C10 C11 N8 -176.5(6) . . . . ?
N7 C10 C11 C12 5.0(11) . . . . ?
N8 C11 C12 C13 0.1(12) . . . . ?
N9 C16 C17 C18 -0.8(15) . . . . ?
N9 C20 C21 N10 1.7(10) . . . . ?
N9 C20 C21 N12 -179.1(7) . . . . ?
N10 N11 C22 N12 0.1(8) . . . . ?
N10 N11 C22 C23 -179.3(7) . . . . ?
N11 N10 C21 N12 1.6(8) . . . . ?
N11 N10 C21 C20 -179.1(6) . . . . ?
N11 C22 C23 C24 -0.1(12) . . . . ?
N12 C22 C23 C24 -179.5(7) . . . . ?
N13 N14 C25 N15 0.3(8) . . . . ?
N13 N14 C25 C26 -179.0(6) . . . . ?
N14 N13 C24 N15 0.5(8) . . . . ?
N14 N13 C24 C23 179.0(7) . . . . ?
N14 C25 C26 N16 -3.1(10) . . . . ?
N14 C25 C26 C27 175.8(7) . . . . ?
N15 C25 C26 N16 177.7(7) . . . . ?
N15 C25 C26 C27 -3.4(11) . . . . ?
N16 C26 C27 C28 1.5(12) . . . . ?
C1 N1 C5 C4 -1.4(11) . . . . ?
C1 N1 C5 C6 176.4(7) . . . . ?
C1 C2 C3 C4 -1.3(14) . . . . ?
C2 C3 C4 C5 1.4(14) . . . . ?
C3 C4 C5 N1 -0.1(13) . . . . ?
C3 C4 C5 C6 -177.7(8) . . . . ?
C4 C5 C6 N2 174.0(7) . . . . ?
C4 C5 C6 N4 -2.4(12) . . . . ?
C5 N1 C1 C2 1.6(12) . . . . ?
C6 N2 N3 Dy2 -179.1(4) . . . . ?
C6 N2 N3 C7 0.6(7) . . . . ?
C6 N4 C7 N3 0.3(8) . . . . ?
C6 N4 C7 C8 179.0(6) . . . . ?
C7 N4 C6 N2 0.1(8) . . . . ?
C7 N4 C6 C5 176.7(7) . . . . ?
C7 C8 C9 N5 6.0(11) . . . . ?
C7 C8 C9 N7 -172.2(7) . . . . ?
C9 N5 N6 Dy3 -173.1(4) . . . . ?
C9 N5 N6 C10 -0.1(6) . . . . ?
C9 N7 C10 N6 -1.1(8) . . . . ?
C9 N7 C10 C11 179.7(6) . . . . ?
C10 N7 C9 N5 1.0(8) . . . . ?
C10 N7 C9 C8 179.4(6) . . . . ?
C10 C11 C12 C13 178.5(7) . . . . ?
C11 N8 C15 C14 -1.3(11) . . . . ?
C11 C12 C13 C14 -2.2(13) . . . . ?
C12 C13 C14 C15 2.5(14) . . . . ?
C13 C14 C15 N8 -0.7(13) . . . . ?
C15 N8 C11 C10 -176.9(6) . . . . ?
C15 N8 C11 C12 1.6(10) . . . . ?
C16 N9 C20 C19 0.3(11) . . . . ?
C16 N9 C20 C21 179.9(7) . . . . ?
C16 C17 C18 C19 1.0(15) . . . . ?
C17 C18 C19 C20 -0.5(15) . . . . ?
C18 C19 C20 N9 -0.1(13) . . . . ?
C18 C19 C20 C21 -179.8(8) . . . . ?
C19 C20 C21 N10 -178.6(7) . . . . ?
C19 C20 C21 N12 0.5(11) . . . . ?
C20 N9 C16 C17 0.2(12) . . . . ?
C21 N10 N11 Dy2 -179.0(4) . . . . ?
C21 N10 N11 C22 -1.0(7) . . . . ?
C21 N12 C22 N11 0.8(8) . . . . ?
C21 N12 C22 C23 -179.7(7) . . . . ?
C22 N12 C21 N10 -1.5(8) . . . . ?
C22 N12 C21 C20 179.3(7) . . . . ?
C22 C23 C24 N13 0.2(12) . . . . ?
C22 C23 C24 N15 178.6(7) . . . . ?
C24 N13 N14 Dy3 -176.0(5) . . . . ?
C24 N13 N14 C25 -0.4(7) . . . . ?
C24 N15 C25 N14 0.0(8) . . . . ?
C24 N15 C25 C26 179.3(7) . . . . ?
C25 N15 C24 N13 -0.3(8) . . . . ?
C25 N15 C24 C23 -178.9(7) . . . . ?
C25 C26 C27 C28 -177.3(8) . . . . ?
C26 N16 C30 C29 -1.2(13) . . . . ?
C26 C27 C28 C29 -1.0(14) . . . . ?
C27 C28 C29 C30 -0.5(15) . . . . ?
C28 C29 C30 N16 1.7(15) . . . . ?
C30 N16 C26 C25 178.5(7) . . . . ?
C30 N16 C26 C27 -0.4(11) . . . . ?
