#------------------------------------------------------------------------------
#$Date: 2021-01-07 08:19:44 +0200 (Thu, 07 Jan 2021) $
#$Revision: 260755 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/58/7705807.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_7705807
loop_
_publ_author_name
'Gil, Yolimar'
'Fuentealba, Pablo'
'Vega, Andrés'
'Spodine, Evgenia'
'Aravena, Daniel'
_publ_section_title
;
 Control of magnetic anisotropy by macrocyclic ligand distortion in a
 family of DyIII and ErIII single molecule magnets.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17709
_journal_page_last               17718
_journal_paper_doi               10.1039/d0dt03370g
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         '2(C29 H18 Dy N9 S3), C2 H3 N'
_chemical_formula_sum            'C60 H39 Dy2 N19 S6'
_chemical_formula_weight         1543.46
_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   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-07-18 deposited with the CCDC.	2020-11-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.319(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   22.428(4)
_cell_length_b                   8.3139(14)
_cell_length_c                   18.411(3)
_cell_measurement_reflns_used    8327
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      20.47
_cell_measurement_theta_min      2.51
_cell_volume                     3259.0(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0588
_diffrn_reflns_av_unetI/netI     0.0445
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            24630
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.508
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    2.521
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.4638
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Bruker,2012)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_description       stick
_exptl_crystal_F_000             1520
_exptl_crystal_size_max          0.215
_exptl_crystal_size_mid          0.064
_exptl_crystal_size_min          0.035
_refine_diff_density_max         1.060
_refine_diff_density_min         -1.150
_refine_diff_density_rms         0.109
_refine_ls_extinction_coef       0.00113(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     408
_refine_ls_number_reflns         6403
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.0617
_refine_ls_R_factor_gt           0.0456
_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)+(0.0445P)²+7.9102P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1074
_refine_ls_wR_factor_ref         0.1148
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5131
_reflns_number_total             6403
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03370g2.cif
_cod_data_source_block           SCD18_114_P21c
_cod_depositor_comments
'Adding full bibliography for 7705804--7705809.cif.'
_cod_original_cell_volume        3259.1(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7705807
_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.
;
_shelx_estimated_absorpt_t_min   0.613
_shelx_estimated_absorpt_t_max   0.917
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 0.26719(2) 0.42184(3) 0.51904(2) 0.03750(12) Uani 1 1 d . . . . .
N1 N 0.2051(2) 0.3220(7) 0.6102(3) 0.0465(13) Uani 1 1 d . . . . .
N2 N 0.1441(2) 0.4567(6) 0.4759(3) 0.0469(13) Uani 1 1 d . . . . .
N3 N 0.2108(2) 0.6196(6) 0.4098(3) 0.0426(12) Uani 1 1 d . . . . .
N4 N 0.3296(2) 0.6696(6) 0.4929(3) 0.0416(12) Uani 1 1 d . . . . .
N5 N 0.3906(2) 0.4264(6) 0.5801(3) 0.0426(12) Uani 1 1 d . . . . .
N6 N 0.3235(2) 0.2315(6) 0.6335(3) 0.0436(12) Uani 1 1 d . . . . .
C1 C 0.2352(3) 0.2526(9) 0.6765(4) 0.0529(17) Uani 1 1 d . . . . .
C2 C 0.2066(4) 0.2266(11) 0.7343(4) 0.070(2) Uani 1 1 d . . . . .
H2 H 0.2292 0.1787 0.7804 0.084 Uiso 1 1 calc R U . . .
C3 C 0.1464(4) 0.2722(11) 0.7215(4) 0.073(2) Uani 1 1 d . . . . .
H3 H 0.1274 0.2602 0.7594 0.087 Uiso 1 1 calc R U . . .
C4 C 0.1137(4) 0.3371(11) 0.6510(4) 0.069(2) Uani 1 1 d . . . . .
H4 H 0.0715 0.3645 0.6396 0.082 Uiso 1 1 calc R U . . .
C5 C 0.1450(3) 0.3606(9) 0.5978(4) 0.0504(16) Uani 1 1 d . . . . .
C6 C 0.1123(3) 0.4231(9) 0.5208(4) 0.0525(17) Uani 1 1 d . . . . .
H6 H 0.0690 0.4381 0.5050 0.063 Uiso 1 1 calc R U . . .
C7 C 0.1128(3) 0.5010(8) 0.4005(4) 0.0479(16) Uani 1 1 d . . . . .
C8 C 0.0516(3) 0.4579(10) 0.3588(4) 0.063(2) Uani 1 1 d . . . . .
H8 H 0.0280 0.3962 0.3818 0.075 Uiso 1 1 calc R U . . .
C9 C 0.0260(3) 0.5057(11) 0.2844(5) 0.072(2) Uani 1 1 d . . . . .
H9 H -0.0151 0.4780 0.2572 0.087 Uiso 1 1 calc R U . . .
C10 C 0.0610(3) 0.5942(10) 0.2500(4) 0.066(2) Uani 1 1 d . . . . .
H10 H 0.0430 0.6267 0.1995 0.080 Uiso 1 1 calc R U . . .
C11 C 0.1231(3) 0.6371(9) 0.2890(4) 0.0601(19) Uani 1 1 d . . . . .
H11 H 0.1468 0.6963 0.2651 0.072 Uiso 1 1 calc R U . . .
C12 C 0.1480(3) 0.5889(8) 0.3637(4) 0.0447(14) Uani 1 1 d . . . . .
C13 C 0.2355(3) 0.7531(9) 0.4011(4) 0.0519(16) Uani 1 1 d . . . . .
H13 H 0.2121 0.8293 0.3669 0.062 Uiso 1 1 calc R U . . .
C14 C 0.3008(3) 0.7854(8) 0.4453(4) 0.0447(15) Uani 1 1 d . . . . .
C15 C 0.3303(3) 0.9257(8) 0.4357(4) 0.0566(18) Uani 1 1 d . . . . .
H15 H 0.3084 1.0057 0.4027 0.068 Uiso 1 1 calc R U . . .
C16 C 0.3933(4) 0.9445(9) 0.4764(5) 0.062(2) Uani 1 1 d . . . . .
H16 H 0.4144 1.0387 0.4722 0.074 Uiso 1 1 calc R U . . .
C17 C 0.4237(3) 0.8232(9) 0.5224(4) 0.0609(19) Uani 1 1 d . . . . .
H17 H 0.4664 0.8312 0.5489 0.073 Uiso 1 1 calc R U . . .
C18 C 0.3905(3) 0.6882(8) 0.5292(4) 0.0471(15) Uani 1 1 d . . . . .
C19 C 0.4215(3) 0.5510(8) 0.5761(4) 0.0536(17) Uani 1 1 d . . . . .
H19 H 0.4642 0.5560 0.6031 0.064 Uiso 1 1 calc R U . . .
C20 C 0.4221(3) 0.2905(8) 0.6180(3) 0.0462(15) Uani 1 1 d . . . . .
C21 C 0.4856(3) 0.2551(9) 0.6279(4) 0.0579(18) Uani 1 1 d . . . . .
H21 H 0.5099 0.3247 0.6094 0.069 Uiso 1 1 calc R U . . .
C22 C 0.5108(4) 0.1165(10) 0.6652(4) 0.067(2) Uani 1 1 d . . . . .
H22 H 0.5528 0.0927 0.6721 0.080 Uiso 1 1 calc R U . . .
C23 C 0.4758(3) 0.0122(10) 0.6927(4) 0.062(2) Uani 1 1 d . . . . .
H23 H 0.4939 -0.0816 0.7175 0.074 Uiso 1 1 calc R U . . .
C24 C 0.4138(4) 0.0458(9) 0.6836(4) 0.062(2) Uani 1 1 d . . . . .
H24 H 0.3902 -0.0241 0.7030 0.074 Uiso 1 1 calc R U . . .
C25 C 0.3865(3) 0.1843(8) 0.6453(3) 0.0450(15) Uani 1 1 d . . . . .
C26 C 0.2995(3) 0.2030(10) 0.6855(4) 0.0592(19) Uani 1 1 d . . . . .
H26 H 0.3228 0.1502 0.7298 0.071 Uiso 1 1 calc R U . . .
N8 N 0.2166(3) 0.1781(8) 0.4642(4) 0.0633(16) Uani 1 1 d . . . . .
C27 C 0.1717(3) 0.1109(8) 0.4326(4) 0.0557(18) Uani 1 1 d . . . . .
S1 S 0.10780(12) 0.0180(3) 0.38746(17) 0.0991(9) Uani 1 1 d . . . . .
N7 N 0.3145(3) 0.3511(7) 0.4232(3) 0.0527(14) Uani 1 1 d . . . . .
C28 C 0.3564(3) 0.3414(8) 0.4010(3) 0.0431(14) Uani 1 1 d . . . . .
S2 S 0.41579(10) 0.3217(4) 0.37051(15) 0.1018(10) Uani 1 1 d . . . . .
N9 N 0.2730(3) 0.6169(8) 0.6140(4) 0.0633(17) Uani 1 1 d . . . . .
C29 C 0.2802(3) 0.6875(9) 0.6696(4) 0.0578(18) Uani 1 1 d . . . . .
S3 S 0.29157(17) 0.7860(4) 0.74844(15) 0.1149(11) Uani 1 1 d . . . . .
N10 N 0.0342(8) 0.7441(19) 0.5311(11) 0.097(6) Uani 0.5 1 d . . P . .
C30 C 0.0763(9) 0.8107(19) 0.5513(9) 0.064(4) Uani 0.5 1 d . . P . .
C31 C 0.1330(9) 0.895(2) 0.5796(9) 0.084(5) Uani 0.5 1 d . . P . .
H31A H 0.1483 0.8862 0.6344 0.126 Uiso 0.5 1 calc R U P . .
H31B H 0.1261 1.0067 0.5656 0.126 Uiso 0.5 1 calc R U P . .
H31C H 0.1634 0.8514 0.5583 0.126 Uiso 0.5 1 calc R U P . .
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
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
N9 Dy1 N8 143.7(2) . . ?
N9 Dy1 N7 141.2(2) . . ?
N8 Dy1 N7 75.0(2) . . ?
N9 Dy1 N3 92.2(2) . . ?
N8 Dy1 N3 99.1(2) . . ?
N7 Dy1 N3 78.82(18) . . ?
N9 Dy1 N4 71.77(19) . . ?
N8 Dy1 N4 143.20(19) . . ?
N7 Dy1 N4 70.89(18) . . ?
N3 Dy1 N4 61.19(16) . . ?
N9 Dy1 N6 85.3(2) . . ?
N8 Dy1 N6 82.7(2) . . ?
N7 Dy1 N6 103.36(18) . . ?
N3 Dy1 N6 177.50(16) . . ?
N4 Dy1 N6 118.20(16) . . ?
N9 Dy1 N1 70.2(2) . . ?
N8 Dy1 N1 74.07(19) . . ?
N7 Dy1 N1 146.82(19) . . ?
N3 Dy1 N1 117.82(16) . . ?
N4 Dy1 N1 141.85(16) . . ?
N6 Dy1 N1 60.94(15) . . ?
N9 Dy1 N2 87.5(2) . . ?
N8 Dy1 N2 69.68(19) . . ?
N7 Dy1 N2 117.90(19) . . ?
N3 Dy1 N2 59.22(16) . . ?
N4 Dy1 N2 115.29(16) . . ?
N6 Dy1 N2 120.18(16) . . ?
N1 Dy1 N2 60.82(16) . . ?
N9 Dy1 N5 82.44(19) . . ?
N8 Dy1 N5 119.20(19) . . ?
N7 Dy1 N5 70.77(18) . . ?
N3 Dy1 N5 120.74(16) . . ?
N4 Dy1 N5 61.18(16) . . ?
N6 Dy1 N5 59.36(16) . . ?
N1 Dy1 N5 115.30(16) . . ?
N2 Dy1 N5 169.90(16) . . ?
C1 N1 C5 117.2(6) . . ?
C1 N1 Dy1 120.4(4) . . ?
C5 N1 Dy1 121.7(4) . . ?
C6 N2 C7 119.5(6) . . ?
C6 N2 Dy1 121.6(4) . . ?
C7 N2 Dy1 118.7(4) . . ?
C13 N3 C12 118.1(5) . . ?
C13 N3 Dy1 121.6(4) . . ?
C12 N3 Dy1 119.9(4) . . ?
C14 N4 C18 117.3(5) . . ?
C14 N4 Dy1 121.0(4) . . ?
C18 N4 Dy1 121.6(4) . . ?
C19 N5 C20 119.4(5) . . ?
C19 N5 Dy1 120.6(4) . . ?
C20 N5 Dy1 120.0(4) . . ?
C26 N6 C25 118.5(5) . . ?
C26 N6 Dy1 120.8(4) . . ?
C25 N6 Dy1 119.7(4) . . ?
N1 C1 C2 122.4(6) . . ?
N1 C1 C26 115.3(6) . . ?
C2 C1 C26 122.3(6) . . ?
C3 C2 C1 119.3(7) . . ?
C2 C3 C4 118.6(7) . . ?
C3 C4 C5 118.7(7) . . ?
N1 C5 C4 123.7(6) . . ?
N1 C5 C6 114.9(6) . . ?
C4 C5 C6 121.3(6) . . ?
N2 C6 C5 119.3(6) . . ?
C8 C7 N2 125.5(7) . . ?
C8 C7 C12 118.5(6) . . ?
N2 C7 C12 115.9(6) . . ?
C9 C8 C7 120.6(8) . . ?
C8 C9 C10 119.9(7) . . ?
C9 C10 C11 121.6(7) . . ?
C12 C11 C10 117.7(7) . . ?
C11 C12 C7 121.7(6) . . ?
C11 C12 N3 124.1(6) . . ?
C7 C12 N3 114.1(6) . . ?
N3 C13 C14 119.4(6) . . ?
N4 C14 C15 123.0(6) . . ?
N4 C14 C13 115.4(6) . . ?
C15 C14 C13 121.5(6) . . ?
C14 C15 C16 118.4(7) . . ?
C17 C16 C15 118.8(7) . . ?
C16 C17 C18 118.9(7) . . ?
N4 C18 C17 123.4(6) . . ?
N4 C18 C19 115.3(6) . . ?
C17 C18 C19 121.2(6) . . ?
N5 C19 C18 120.3(6) . . ?
C25 C20 N5 115.9(5) . . ?
C25 C20 C21 119.6(6) . . ?
N5 C20 C21 124.5(6) . . ?
C22 C21 C20 118.8(7) . . ?
C23 C22 C21 121.6(7) . . ?
C22 C23 C24 120.1(7) . . ?
C23 C24 C25 119.8(7) . . ?
C20 C25 C24 120.1(6) . . ?
C20 C25 N6 115.4(6) . . ?
C24 C25 N6 124.5(6) . . ?
N6 C26 C1 120.3(6) . . ?
C27 N8 Dy1 149.3(6) . . ?
N8 C27 S1 179.2(8) . . ?
C28 N7 Dy1 152.3(5) . . ?
N7 C28 S2 178.2(7) . . ?
C29 N9 Dy1 166.8(6) . . ?
N9 C29 S3 179.1(8) . . ?
N10 C30 C31 178(2) . . ?
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 N9 2.358(6) . ?
Dy1 N8 2.386(6) . ?
Dy1 N7 2.400(5) . ?
Dy1 N3 2.598(5) . ?
Dy1 N4 2.618(5) . ?
Dy1 N6 2.621(5) . ?
Dy1 N1 2.630(5) . ?
Dy1 N2 2.638(5) . ?
Dy1 N5 2.639(5) . ?
N1 C1 1.327(8) . ?
N1 C5 1.333(8) . ?
N2 C6 1.281(8) . ?
N2 C7 1.394(8) . ?
N3 C13 1.272(8) . ?
N3 C12 1.421(8) . ?
N4 C14 1.325(8) . ?
N4 C18 1.328(8) . ?
N5 C19 1.262(8) . ?
N5 C20 1.398(8) . ?
N6 C26 1.260(8) . ?
N6 C25 1.417(8) . ?
C1 C2 1.420(9) . ?
C1 C26 1.458(9) . ?
C2 C3 1.350(10) . ?
C3 C4 1.385(10) . ?
C4 C5 1.387(9) . ?
C5 C6 1.472(9) . ?
C7 C8 1.392(9) . ?
C7 C12 1.397(9) . ?
C8 C9 1.367(10) . ?
C9 C10 1.368(11) . ?
C10 C11 1.398(10) . ?
C11 C12 1.372(9) . ?
C13 C14 1.459(9) . ?
C14 C15 1.379(9) . ?
C15 C16 1.385(10) . ?
C16 C17 1.355(10) . ?
C17 C18 1.374(9) . ?
C18 C19 1.468(9) . ?
C20 C25 1.385(9) . ?
C20 C21 1.408(9) . ?
C21 C22 1.370(10) . ?
C22 C23 1.368(11) . ?
C23 C24 1.376(10) . ?
C24 C25 1.387(9) . ?
N8 C27 1.138(8) . ?
C27 S1 1.611(8) . ?
N7 C28 1.141(8) . ?
C28 S2 1.607(7) . ?
N9 C29 1.146(8) . ?
C29 S3 1.616(8) . ?
N10 C30 1.06(2) . ?
C30 C31 1.40(2) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C19 H19 S2 0.93 2.77 3.625(7) 152.7 3_666
C6 H6 N10 0.93 2.67 3.414(17) 137.7 3_566
C13 H13 S1 0.93 2.94 3.558(7) 125.3 1_565
C8 H8 N10 0.93 2.70 3.617(17) 169.7 3_566
C17 H17 S2 0.93 2.89 3.719(8) 149.6 3_666
C26 H26 S2 0.93 2.78 3.587(7) 146.0 4_566
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
C5 N1 C1 C2 -3.1(11) . . . . ?
Dy1 N1 C1 C2 166.8(6) . . . . ?
C5 N1 C1 C26 176.2(7) . . . . ?
Dy1 N1 C1 C26 -13.9(9) . . . . ?
N1 C1 C2 C3 0.7(13) . . . . ?
C26 C1 C2 C3 -178.5(8) . . . . ?
C1 C2 C3 C4 2.6(14) . . . . ?
C2 C3 C4 C5 -3.4(14) . . . . ?
C1 N1 C5 C4 2.3(11) . . . . ?
Dy1 N1 C5 C4 -167.5(6) . . . . ?
C1 N1 C5 C6 -174.6(6) . . . . ?
Dy1 N1 C5 C6 15.7(8) . . . . ?
C3 C4 C5 N1 0.9(13) . . . . ?
C3 C4 C5 C6 177.6(8) . . . . ?
C7 N2 C6 C5 173.7(6) . . . . ?
Dy1 N2 C6 C5 -1.2(9) . . . . ?
N1 C5 C6 N2 -9.4(10) . . . . ?
C4 C5 C6 N2 173.7(7) . . . . ?
C6 N2 C7 C8 -25.5(10) . . . . ?
Dy1 N2 C7 C8 149.6(6) . . . . ?
C6 N2 C7 C12 158.0(6) . . . . ?
Dy1 N2 C7 C12 -26.9(7) . . . . ?
N2 C7 C8 C9 -178.7(7) . . . . ?
C12 C7 C8 C9 -2.2(11) . . . . ?
C7 C8 C9 C10 1.1(13) . . . . ?
C8 C9 C10 C11 0.4(13) . . . . ?
C9 C10 C11 C12 -0.7(12) . . . . ?
C10 C11 C12 C7 -0.5(11) . . . . ?
C10 C11 C12 N3 178.2(6) . . . . ?
C8 C7 C12 C11 1.9(10) . . . . ?
N2 C7 C12 C11 178.7(6) . . . . ?
C8 C7 C12 N3 -176.9(6) . . . . ?
N2 C7 C12 N3 -0.1(8) . . . . ?
C13 N3 C12 C11 36.2(9) . . . . ?
Dy1 N3 C12 C11 -150.9(6) . . . . ?
C13 N3 C12 C7 -145.0(6) . . . . ?
Dy1 N3 C12 C7 27.9(7) . . . . ?
C12 N3 C13 C14 -177.4(6) . . . . ?
Dy1 N3 C13 C14 9.8(8) . . . . ?
C18 N4 C14 C15 -3.9(9) . . . . ?
Dy1 N4 C14 C15 173.2(5) . . . . ?
C18 N4 C14 C13 174.2(6) . . . . ?
Dy1 N4 C14 C13 -8.7(7) . . . . ?
N3 C13 C14 N4 -0.7(9) . . . . ?
N3 C13 C14 C15 177.5(6) . . . . ?
N4 C14 C15 C16 1.6(11) . . . . ?
C13 C14 C15 C16 -176.4(7) . . . . ?
C14 C15 C16 C17 1.6(11) . . . . ?
C15 C16 C17 C18 -2.3(12) . . . . ?
C14 N4 C18 C17 3.2(10) . . . . ?
Dy1 N4 C18 C17 -173.9(5) . . . . ?
C14 N4 C18 C19 -175.0(6) . . . . ?
Dy1 N4 C18 C19 8.0(8) . . . . ?
C16 C17 C18 N4 -0.1(11) . . . . ?
C16 C17 C18 C19 177.9(7) . . . . ?
C20 N5 C19 C18 172.8(6) . . . . ?
Dy1 N5 C19 C18 -7.8(9) . . . . ?
N4 C18 C19 N5 0.0(10) . . . . ?
C17 C18 C19 N5 -178.2(7) . . . . ?
C19 N5 C20 C25 156.6(6) . . . . ?
Dy1 N5 C20 C25 -22.7(7) . . . . ?
C19 N5 C20 C21 -24.9(10) . . . . ?
Dy1 N5 C20 C21 155.8(5) . . . . ?
C25 C20 C21 C22 -0.7(10) . . . . ?
N5 C20 C21 C22 -179.1(6) . . . . ?
C20 C21 C22 C23 0.2(11) . . . . ?
C21 C22 C23 C24 -0.5(12) . . . . ?
C22 C23 C24 C25 1.2(12) . . . . ?
N5 C20 C25 C24 179.9(6) . . . . ?
C21 C20 C25 C24 1.4(10) . . . . ?
N5 C20 C25 N6 -2.3(8) . . . . ?
C21 C20 C25 N6 179.1(6) . . . . ?
C23 C24 C25 C20 -1.6(11) . . . . ?
C23 C24 C25 N6 -179.2(6) . . . . ?
C26 N6 C25 C20 -141.7(7) . . . . ?
Dy1 N6 C25 C20 26.5(7) . . . . ?
C26 N6 C25 C24 35.9(10) . . . . ?
Dy1 N6 C25 C24 -155.8(5) . . . . ?
C25 N6 C26 C1 178.7(6) . . . . ?
Dy1 N6 C26 C1 10.6(10) . . . . ?
N1 C1 C26 N6 2.3(11) . . . . ?
C2 C1 C26 N6 -178.5(8) . . . . ?
