#------------------------------------------------------------------------------
#$Date: 2016-08-07 11:02:22 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185137 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/24/1542449.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_1542449
loop_
_publ_author_name
'Wu, Jianfeng'
'Jung, Julie'
'Zhang, Peng'
'Zhang, Haixia'
'Tang, Jinkui'
'Le Guennic, Boris'
_publ_section_title
;
 Cis--trans isomerism modulates the magnetic relaxation of dysprosium
 single-molecule magnets
;
_journal_issue                   6
_journal_name_full               'Chem. Sci.'
_journal_page_first              3632
_journal_paper_doi               10.1039/C5SC04510J
_journal_volume                  7
_journal_year                    2016
_chemical_formula_sum            'C32 H30 Dy N13 O9'
_chemical_formula_weight         903.19
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-12-25 deposited with the CCDC.
2016-02-16 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 129.531(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   30.250(5)
_cell_length_b                   17.599(3)
_cell_length_c                   20.537(3)
_cell_measurement_reflns_used    7919
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.05
_cell_measurement_theta_min      2.28
_cell_volume                     8433(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0553
_diffrn_reflns_av_sigmaI/netI    0.0603
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            26368
_diffrn_reflns_theta_full        26.19
_diffrn_reflns_theta_max         26.19
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    1.834
_exptl_absorpt_correction_T_max  0.680
_exptl_absorpt_correction_T_min  0.662
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.423
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3608
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.983
_refine_diff_density_min         -0.636
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     494
_refine_ls_number_reflns         8396
_refine_ls_number_restraints     84
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0769
_refine_ls_R_factor_gt           0.0511
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1004P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1530
_refine_ls_wR_factor_ref         0.1661
_reflns_number_gt                5558
_reflns_number_total             8396
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5sc04510j2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'multi_scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 1542448--1542450.cif.
;
_cod_original_cell_volume        8433(2)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               1542449
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.1598(3) 0.2179(5) 0.2248(5) 0.069(2) Uani 1 1 d .
H1 H 0.1230 0.2379 0.1875 0.083 Uiso 1 1 calc R
C2 C 0.2005(3) 0.2465(4) 0.2181(4) 0.0639(18) Uani 1 1 d .
C3 C 0.1811(4) 0.3002(5) 0.1541(5) 0.087(3) Uani 1 1 d .
H3 H 0.1426 0.3138 0.1161 0.104 Uiso 1 1 calc R
C4 C 0.2204(5) 0.3324(5) 0.1489(6) 0.092(3) Uani 1 1 d .
H4 H 0.2079 0.3669 0.1060 0.111 Uiso 1 1 calc R
C5 C 0.2776(4) 0.3142(4) 0.2061(5) 0.082(2) Uani 1 1 d .
H5 H 0.3033 0.3373 0.2020 0.099 Uiso 1 1 calc R
C6 C 0.2968(3) 0.2632(4) 0.2681(4) 0.0629(18) Uani 1 1 d .
C7 C 0.2594(3) 0.2257(4) 0.2771(4) 0.0532(16) Uani 1 1 d .
C8 C 0.3952(4) 0.2857(7) 0.3338(7) 0.125(4) Uani 1 1 d U
H8A H 0.3897 0.2782 0.2828 0.187 Uiso 1 1 calc R
H8B H 0.4330 0.2691 0.3812 0.187 Uiso 1 1 calc R
H8C H 0.3910 0.3387 0.3400 0.187 Uiso 1 1 calc R
C9 C 0.1443(3) -0.0367(5) 0.3261(5) 0.068(2) Uani 1 1 d .
H9 H 0.1061 -0.0517 0.2877 0.082 Uiso 1 1 calc R
C10 C 0.1804(3) -0.0803(4) 0.4028(5) 0.0625(18) Uani 1 1 d .
C11 C 0.1538(4) -0.1393(5) 0.4139(6) 0.093(3) Uani 1 1 d .
H11 H 0.1146 -0.1476 0.3734 0.112 Uiso 1 1 calc R
C12 C 0.1852(4) -0.1825(6) 0.4822(6) 0.098(3) Uani 1 1 d U
H12 H 0.1678 -0.2213 0.4895 0.117 Uiso 1 1 calc R
C13 C 0.2431(4) -0.1707(5) 0.5425(6) 0.087(2) Uani 1 1 d .
H13 H 0.2646 -0.2017 0.5900 0.104 Uiso 1 1 calc R
C14 C 0.2697(3) -0.1138(5) 0.5335(5) 0.0651(19) Uani 1 1 d .
C15 C 0.2398(3) -0.0663(4) 0.4639(4) 0.0510(15) Uani 1 1 d .
C16 C 0.3610(4) -0.1397(5) 0.6673(5) 0.098(3) Uani 1 1 d U
H16A H 0.3449 -0.1358 0.6951 0.147 Uiso 1 1 calc R
H16B H 0.3995 -0.1206 0.7039 0.147 Uiso 1 1 calc R
H16C H 0.3612 -0.1919 0.6541 0.147 Uiso 1 1 calc R
C17 C 0.1609(3) 0.0411(5) 0.1603(4) 0.074(2) Uani 1 1 d .
H17 H 0.1316 0.0501 0.1627 0.089 Uiso 1 1 calc R
C18 C 0.1466(4) 0.0305(5) 0.0832(4) 0.085(3) Uani 1 1 d .
H18 H 0.1085 0.0315 0.0342 0.102 Uiso 1 1 calc R
C19 C 0.1897(3) 0.0182(5) 0.0798(4) 0.078(2) Uani 1 1 d .
H19 H 0.1812 0.0115 0.0279 0.094 Uiso 1 1 calc R
C20 C 0.2469(3) 0.0158(5) 0.1548(4) 0.069(2) Uani 1 1 d .
H20 H 0.2768 0.0077 0.1536 0.083 Uiso 1 1 calc R
C21 C 0.2573(3) 0.0257(4) 0.2293(4) 0.0546(16) Uani 1 1 d .
C22 C 0.3177(3) 0.0192(4) 0.3126(4) 0.0529(15) Uani 1 1 d .
C23 C 0.4101(3) 0.0029(5) 0.3823(4) 0.070(2) Uani 1 1 d .
C24 C 0.3757(2) -0.0015(4) 0.4527(4) 0.0495(15) Uani 1 1 d .
C25 C 0.1587(3) 0.1450(4) 0.4148(5) 0.0650(19) Uani 1 1 d .
H25 H 0.1316 0.1408 0.3564 0.078 Uiso 1 1 calc R
C26 C 0.1386(3) 0.1563(4) 0.4588(5) 0.070(2) Uani 1 1 d .
H26 H 0.0997 0.1577 0.4319 0.083 Uiso 1 1 calc R
C27 C 0.1792(3) 0.1653(5) 0.5434(5) 0.077(2) Uani 1 1 d .
H27 H 0.1681 0.1746 0.5757 0.092 Uiso 1 1 calc R
C28 C 0.2377(3) 0.1607(4) 0.5830(5) 0.069(2) Uani 1 1 d .
H28 H 0.2655 0.1660 0.6412 0.083 Uiso 1 1 calc R
C29 C 0.2527(3) 0.1483(4) 0.5337(4) 0.0504(15) Uani 1 1 d .
C30 C 0.3136(3) 0.1478(4) 0.5700(4) 0.0512(15) Uani 1 1 d .
C31 C 0.4064(3) 0.1555(4) 0.6828(4) 0.0654(19) Uani 1 1 d .
C32 C 0.3798(3) 0.1578(4) 0.5523(4) 0.0507(15) Uani 1 1 d .
Dy1 Dy 0.245297(11) 0.086774(17) 0.371930(16) 0.04539(11) Uani 1 1 d .
N1 N 0.2134(2) 0.1395(3) 0.4491(3) 0.0521(13) Uani 1 1 d .
N2 N 0.3245(2) 0.1449(3) 0.5159(3) 0.0462(12) Uani 1 1 d .
N3 N 0.3935(2) 0.1684(3) 0.5034(3) 0.0589(14) Uani 1 1 d .
H3A H 0.4285 0.1772 0.5255 0.071 Uiso 1 1 calc R
H3B H 0.3674 0.1664 0.4494 0.071 Uiso 1 1 calc R
N4 N 0.4227(2) 0.1617(3) 0.6357(3) 0.0586(14) Uani 1 1 d U
N5 N 0.4470(3) 0.1538(4) 0.7676(4) 0.090(2) Uani 1 1 d U
H5A H 0.4826 0.1568 0.7905 0.108 Uiso 1 1 calc R
H5B H 0.4372 0.1499 0.7986 0.108 Uiso 1 1 calc R
N6 N 0.3516(2) 0.1525(3) 0.6525(3) 0.0605(15) Uani 1 1 d U
N7 N 0.2157(2) 0.0391(3) 0.2339(3) 0.0571(15) Uani 1 1 d .
N8 N 0.32274(18) 0.0179(3) 0.3821(3) 0.0438(11) Uani 1 1 d .
N9 N 0.3833(2) -0.0165(3) 0.5225(3) 0.0579(14) Uani 1 1 d .
H9A H 0.3548 -0.0137 0.5224 0.070 Uiso 1 1 calc R
H9B H 0.4167 -0.0289 0.5680 0.070 Uiso 1 1 calc R
N10 N 0.4223(2) -0.0062(4) 0.4572(3) 0.0643(15) Uani 1 1 d .
N11 N 0.4554(3) 0.0036(5) 0.3836(4) 0.095(2) Uani 1 1 d U
H11A H 0.4500 0.0102 0.3376 0.114 Uiso 1 1 calc R
H11B H 0.4895 -0.0024 0.4306 0.114 Uiso 1 1 calc R
N12 N 0.3578(2) 0.0126(4) 0.3074(3) 0.0646(16) Uani 1 1 d .
N13 N -0.0047(13) 0.0930(11) 0.1807(12) 0.903(10) Uani 1 1 d DU
O1 O 0.16776(18) 0.1692(3) 0.2748(3) 0.0645(13) Uani 1 1 d .
O2 O 0.27977(17) 0.1783(2) 0.3382(3) 0.0539(11) Uani 1 1 d .
O3 O 0.3538(2) 0.2431(3) 0.3299(3) 0.0841(16) Uani 1 1 d U
O4 O 0.15829(18) 0.0181(3) 0.3058(3) 0.0651(13) Uani 1 1 d .
O5 O 0.26551(16) -0.0118(2) 0.4558(2) 0.0512(10) Uani 1 1 d .
O6 O 0.3276(2) -0.0964(3) 0.5918(3) 0.0764(16) Uani 1 1 d .
O7 O -0.0024(16) 0.1489(16) 0.141(2) 0.884(10) Uani 1 1 d DU
O8 O -0.0100(17) 0.0307(14) 0.142(2) 0.869(10) Uani 1 1 d DU
O9 O 0.0000 0.097(3) 0.2500 0.913(11) Uani 1 2 d SDU
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
O1 C1 C2 127.3(6) .
O1 C1 H1 116.3 .
C2 C1 H1 116.3 .
C3 C2 C1 117.3(7) .
C3 C2 C7 121.3(8) .
C1 C2 C7 121.3(6) .
C4 C3 C2 118.7(8) .
C4 C3 H3 120.7 .
C2 C3 H3 120.7 .
C5 C4 C3 121.0(8) .
C5 C4 H4 119.5 .
C3 C4 H4 119.5 .
C6 C5 C4 120.9(8) .
C6 C5 H5 119.5 .
C4 C5 H5 119.5 .
C5 C6 O3 124.9(7) .
C5 C6 C7 122.0(7) .
O3 C6 C7 113.1(6) .
O2 C7 C6 119.9(6) .
O2 C7 C2 124.0(6) .
C6 C7 C2 116.0(6) .
O3 C8 H8A 109.5 .
O3 C8 H8B 109.5 .
H8A C8 H8B 109.5 .
O3 C8 H8C 109.5 .
H8A C8 H8C 109.5 .
H8B C8 H8C 109.5 .
O4 C9 C10 127.2(6) .
O4 C9 H9 116.4 .
C10 C9 H9 116.4 .
C15 C10 C11 121.1(7) .
C15 C10 C9 122.0(6) .
C11 C10 C9 116.9(7) .
C12 C11 C10 119.5(8) .
C12 C11 H11 120.2 .
C10 C11 H11 120.2 .
C11 C12 C13 120.8(8) .
C11 C12 H12 119.6 .
C13 C12 H12 119.6 .
C14 C13 C12 120.8(8) .
C14 C13 H13 119.6 .
C12 C13 H13 119.6 .
C13 C14 C15 121.9(7) .
C13 C14 O6 124.9(7) .
C15 C14 O6 113.2(6) .
O5 C15 C14 121.6(6) .
O5 C15 C10 122.5(6) .
C14 C15 C10 116.0(6) .
O6 C16 H16A 109.5 .
O6 C16 H16B 109.5 .
H16A C16 H16B 109.5 .
O6 C16 H16C 109.5 .
H16A C16 H16C 109.5 .
H16B C16 H16C 109.5 .
N7 C17 C18 123.3(7) .
N7 C17 H17 118.4 .
C18 C17 H17 118.4 .
C17 C18 C19 118.3(7) .
C17 C18 H18 120.9 .
C19 C18 H18 120.9 .
C18 C19 C20 119.8(7) .
C18 C19 H19 120.1 .
C20 C19 H19 120.1 .
C21 C20 C19 118.0(7) .
C21 C20 H20 121.0 .
C19 C20 H20 121.0 .
N7 C21 C20 123.1(6) .
N7 C21 C22 116.3(5) .
C20 C21 C22 120.6(6) .
N12 C22 N8 127.9(6) .
N12 C22 C21 115.7(6) .
N8 C22 C21 116.4(5) .
N12 C23 N10 126.2(6) .
N12 C23 N11 117.6(6) .
N10 C23 N11 116.2(6) .
N9 C24 N8 118.8(5) .
N9 C24 N10 117.2(5) .
N8 C24 N10 124.0(6) .
N1 C25 C26 125.5(7) .
N1 C25 H25 117.3 .
C26 C25 H25 117.3 .
C27 C26 C25 115.9(7) .
C27 C26 H26 122.1 .
C25 C26 H26 122.1 .
C26 C27 C28 121.1(7) .
C26 C27 H27 119.4 .
C28 C27 H27 119.4 .
C29 C28 C27 118.1(7) .
C29 C28 H28 120.9 .
C27 C28 H28 120.9 .
N1 C29 C28 122.4(6) .
N1 C29 C30 116.2(6) .
C28 C29 C30 121.3(6) .
N6 C30 N2 126.5(6) .
N6 C30 C29 116.0(6) .
N2 C30 C29 117.6(5) .
N4 C31 N5 118.9(7) .
N4 C31 N6 125.3(6) .
N5 C31 N6 115.8(7) .
N3 C32 N4 116.6(6) .
N3 C32 N2 118.7(5) .
N4 C32 N2 124.6(6) .
O5 Dy1 O2 146.84(14) .
O5 Dy1 O1 139.53(15) .
O2 Dy1 O1 73.00(16) .
O5 Dy1 O4 72.98(15) .
O2 Dy1 O4 138.25(15) .
O1 Dy1 O4 71.87(17) .
O5 Dy1 N1 80.02(16) .
O2 Dy1 N1 111.72(16) .
O1 Dy1 N1 74.47(17) .
O4 Dy1 N1 79.51(17) .
O5 Dy1 N7 109.63(17) .
O2 Dy1 N7 78.11(17) .
O1 Dy1 N7 78.71(18) .
O4 Dy1 N7 73.54(17) .
N1 Dy1 N7 146.67(16) .
O5 Dy1 N8 77.30(15) .
O2 Dy1 N8 77.39(16) .
O1 Dy1 N8 136.99(16) .
O4 Dy1 N8 115.71(17) .
N1 Dy1 N8 146.91(15) .
N7 Dy1 N8 65.04(16) .
O5 Dy1 N2 79.86(15) .
O2 Dy1 N2 78.06(15) .
O1 Dy1 N2 115.19(16) .
O4 Dy1 N2 138.18(16) .
N1 Dy1 N2 64.71(16) .
N7 Dy1 N2 147.02(16) .
N8 Dy1 N2 87.68(15) .
C25 N1 C29 117.0(6) .
C25 N1 Dy1 123.0(4) .
C29 N1 Dy1 118.6(4) .
C30 N2 C32 113.9(5) .
C30 N2 Dy1 115.4(4) .
C32 N2 Dy1 128.9(4) .
C32 N3 H3A 120.0 .
C32 N3 H3B 120.0 .
H3A N3 H3B 120.0 .
C31 N4 C32 114.7(6) .
C31 N5 H5A 120.0 .
C31 N5 H5B 120.0 .
H5A N5 H5B 120.0 .
C30 N6 C31 114.1(6) .
C21 N7 C17 117.5(6) .
C21 N7 Dy1 117.5(4) .
C17 N7 Dy1 123.5(5) .
C22 N8 C24 113.7(5) .
C22 N8 Dy1 115.8(4) .
C24 N8 Dy1 127.8(4) .
C24 N9 H9A 120.0 .
C24 N9 H9B 120.0 .
H9A N9 H9B 120.0 .
C23 N10 C24 113.5(5) .
C23 N11 H11A 120.0 .
C23 N11 H11B 120.0 .
H11A N11 H11B 120.0 .
C22 N12 C23 113.7(6) .
O7 N13 O8 107.0(13) .
O7 N13 O9 127.1(16) .
O8 N13 O9 125.8(16) .
C1 O1 Dy1 133.4(4) .
C7 O2 Dy1 137.1(4) .
C6 O3 C8 117.1(7) .
C9 O4 Dy1 134.3(4) .
C15 O5 Dy1 140.5(4) .
C14 O6 C16 117.0(6) .
N13 O9 N13 173(4) 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.237(8) .
C1 C2 1.415(10) .
C1 H1 0.9300 .
C2 C3 1.408(10) .
C2 C7 1.424(9) .
C3 C4 1.380(13) .
C3 H3 0.9300 .
C4 C5 1.374(12) .
C4 H4 0.9300 .
C5 C6 1.350(10) .
C5 H5 0.9300 .
C6 O3 1.386(8) .
C6 C7 1.421(9) .
C7 O2 1.291(7) .
C8 O3 1.419(10) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 O4 1.228(9) .
C9 C10 1.440(10) .
C9 H9 0.9300 .
C10 C15 1.413(9) .
C10 C11 1.418(10) .
C11 C12 1.324(12) .
C11 H11 0.9300 .
C12 C13 1.373(12) .
C12 H12 0.9300 .
C13 C14 1.368(10) .
C13 H13 0.9300 .
C14 C15 1.384(10) .
C14 O6 1.386(9) .
C15 O5 1.310(7) .
C16 O6 1.419(9) .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 N7 1.359(8) .
C17 C18 1.361(10) .
C17 H17 0.9300 .
C18 C19 1.369(11) .
C18 H18 0.9300 .
C19 C20 1.406(9) .
C19 H19 0.9300 .
C20 C21 1.363(9) .
C20 H20 0.9300 .
C21 N7 1.341(8) .
C21 C22 1.516(8) .
C22 N12 1.289(7) .
C22 N8 1.334(7) .
C23 N12 1.343(8) .
C23 N10 1.345(8) .
C23 N11 1.351(8) .
C24 N9 1.327(7) .
C24 N8 1.352(7) .
C24 N10 1.356(7) .
C25 N1 1.326(8) .
C25 C26 1.388(10) .
C25 H25 0.9300 .
C26 C27 1.355(10) .
C26 H26 0.9300 .
C27 C28 1.402(10) .
C27 H27 0.9300 .
C28 C29 1.365(9) .
C28 H28 0.9300 .
C29 N1 1.351(8) .
C29 C30 1.482(9) .
C30 N6 1.312(8) .
C30 N2 1.346(8) .
C31 N4 1.339(9) .
C31 N5 1.348(8) .
C31 N6 1.350(9) .
C32 N3 1.322(8) .
C32 N4 1.340(8) .
C32 N2 1.348(7) .
Dy1 O5 2.238(4) .
Dy1 O2 2.254(4) .
Dy1 O1 2.373(5) .
Dy1 O4 2.383(5) .
Dy1 N1 2.500(5) .
Dy1 N7 2.513(5) .
Dy1 N8 2.526(5) .
Dy1 N2 2.551(5) .
N3 H3A 0.8600 .
N3 H3B 0.8600 .
N5 H5A 0.8600 .
N5 H5B 0.8600 .
N9 H9A 0.8600 .
N9 H9B 0.8600 .
N11 H11A 0.8600 .
N11 H11B 0.8600 .
N13 O7 1.302(10) .
N13 O8 1.303(10) .
N13 O9 1.339(9) .
O9 N13 1.339(9) 2
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_4
O1 C1 C2 C3 177.8(8) .
O1 C1 C2 C7 -6.2(12) .
C1 C2 C3 C4 176.4(8) .
C7 C2 C3 C4 0.5(12) .
C2 C3 C4 C5 -1.7(13) .
C3 C4 C5 C6 1.2(14) .
C4 C5 C6 O3 -177.9(8) .
C4 C5 C6 C7 0.4(12) .
C5 C6 C7 O2 -178.9(7) .
O3 C6 C7 O2 -0.3(9) .
C5 C6 C7 C2 -1.5(10) .
O3 C6 C7 C2 177.0(6) .
C3 C2 C7 O2 178.3(7) .
C1 C2 C7 O2 2.5(11) .
C3 C2 C7 C6 1.0(10) .
C1 C2 C7 C6 -174.7(7) .
O4 C9 C10 C15 -4.0(12) .
O4 C9 C10 C11 177.3(8) .
C15 C10 C11 C12 -0.5(14) .
C9 C10 C11 C12 178.3(9) .
C10 C11 C12 C13 0.1(16) .
C11 C12 C13 C14 0.2(16) .
C12 C13 C14 C15 -0.3(14) .
C12 C13 C14 O6 178.4(9) .
C13 C14 C15 O5 179.7(7) .
O6 C14 C15 O5 0.9(10) .
C13 C14 C15 C10 -0.1(11) .
O6 C14 C15 C10 -178.9(6) .
C11 C10 C15 O5 -179.3(7) .
C9 C10 C15 O5 1.9(11) .
C11 C10 C15 C14 0.4(11) .
C9 C10 C15 C14 -178.3(7) .
N7 C17 C18 C19 -0.9(14) .
C17 C18 C19 C20 0.8(14) .
C18 C19 C20 C21 0.2(13) .
C19 C20 C21 N7 -1.4(12) .
C19 C20 C21 C22 176.4(7) .
N7 C21 C22 N12 -174.6(6) .
C20 C21 C22 N12 7.5(10) .
N7 C21 C22 N8 8.1(9) .
C20 C21 C22 N8 -169.9(7) .
N1 C25 C26 C27 2.6(12) .
C25 C26 C27 C28 -1.9(12) .
C26 C27 C28 C29 1.2(12) .
C27 C28 C29 N1 -0.8(11) .
C27 C28 C29 C30 175.9(7) .
N1 C29 C30 N6 -176.6(6) .
C28 C29 C30 N6 6.4(9) .
N1 C29 C30 N2 5.2(8) .
C28 C29 C30 N2 -171.7(6) .
C26 C25 N1 C29 -2.3(11) .
C26 C25 N1 Dy1 163.8(6) .
C28 C29 N1 C25 1.3(10) .
C30 C29 N1 C25 -175.6(6) .
C28 C29 N1 Dy1 -165.4(5) .
C30 C29 N1 Dy1 17.7(7) .
O5 Dy1 N1 C25 -103.8(5) .
O2 Dy1 N1 C25 108.6(5) .
O1 Dy1 N1 C25 44.5(5) .
O4 Dy1 N1 C25 -29.4(5) .
N7 Dy1 N1 C25 6.9(7) .
N8 Dy1 N1 C25 -151.0(5) .
N2 Dy1 N1 C25 172.8(6) .
O5 Dy1 N1 C29 62.2(5) .
O2 Dy1 N1 C29 -85.5(5) .
O1 Dy1 N1 C29 -149.5(5) .
O4 Dy1 N1 C29 136.5(5) .
N7 Dy1 N1 C29 172.9(4) .
N8 Dy1 N1 C29 14.9(6) .
N2 Dy1 N1 C29 -21.2(4) .
N6 C30 N2 C32 -8.8(9) .
C29 C30 N2 C32 169.1(5) .
N6 C30 N2 Dy1 157.6(5) .
C29 C30 N2 Dy1 -24.5(7) .
N3 C32 N2 C30 -169.3(6) .
N4 C32 N2 C30 9.9(9) .
N3 C32 N2 Dy1 26.6(8) .
N4 C32 N2 Dy1 -154.2(5) .
O5 Dy1 N2 C30 -60.4(4) .
O2 Dy1 N2 C30 144.5(4) .
O1 Dy1 N2 C30 80.0(4) .
O4 Dy1 N2 C30 -10.6(5) .
N1 Dy1 N2 C30 23.3(4) .
N7 Dy1 N2 C30 -170.9(4) .
N8 Dy1 N2 C30 -137.9(4) .
O5 Dy1 N2 C32 103.6(5) .
O2 Dy1 N2 C32 -51.5(5) .
O1 Dy1 N2 C32 -116.1(5) .
O4 Dy1 N2 C32 153.4(5) .
N1 Dy1 N2 C32 -172.7(6) .
N7 Dy1 N2 C32 -7.0(7) .
N8 Dy1 N2 C32 26.1(5) .
N5 C31 N4 C32 175.8(7) .
N6 C31 N4 C32 -6.0(11) .
N3 C32 N4 C31 176.0(6) .
N2 C32 N4 C31 -3.2(10) .
N2 C30 N6 C31 1.0(10) .
C29 C30 N6 C31 -177.0(6) .
N4 C31 N6 C30 7.1(11) .
N5 C31 N6 C30 -174.6(7) .
C20 C21 N7 C17 1.4(11) .
C22 C21 N7 C17 -176.5(6) .
C20 C21 N7 Dy1 -165.4(6) .
C22 C21 N7 Dy1 16.7(8) .
C18 C17 N7 C21 -0.2(12) .
C18 C17 N7 Dy1 165.7(7) .
O5 Dy1 N7 C21 -86.9(5) .
O2 Dy1 N7 C21 59.5(5) .
O1 Dy1 N7 C21 134.3(5) .
O4 Dy1 N7 C21 -151.5(5) .
N1 Dy1 N7 C21 171.1(4) .
N8 Dy1 N7 C21 -21.9(5) .
N2 Dy1 N7 C21 15.0(7) .
O5 Dy1 N7 C17 107.2(6) .
O2 Dy1 N7 C17 -106.4(6) .
O1 Dy1 N7 C17 -31.6(6) .
O4 Dy1 N7 C17 42.6(6) .
N1 Dy1 N7 C17 5.2(8) .
N8 Dy1 N7 C17 172.2(6) .
N2 Dy1 N7 C17 -150.9(5) .
N12 C22 N8 C24 -8.3(10) .
C21 C22 N8 C24 168.7(6) .
N12 C22 N8 Dy1 154.6(6) .
C21 C22 N8 Dy1 -28.4(7) .
N9 C24 N8 C22 -169.4(6) .
N10 C24 N8 C22 11.3(9) .
N9 C24 N8 Dy1 30.3(8) .
N10 C24 N8 Dy1 -149.1(5) .
O5 Dy1 N8 C22 145.1(5) .
O2 Dy1 N8 C22 -56.5(4) .
O1 Dy1 N8 C22 -9.2(6) .
O4 Dy1 N8 C22 81.3(5) .
N1 Dy1 N8 C22 -167.0(4) .
N7 Dy1 N8 C22 26.1(4) .
N2 Dy1 N8 C22 -134.8(5) .
O5 Dy1 N8 C24 -54.8(5) .
O2 Dy1 N8 C24 103.6(5) .
O1 Dy1 N8 C24 150.8(5) .
O4 Dy1 N8 C24 -118.6(5) .
N1 Dy1 N8 C24 -7.0(7) .
N7 Dy1 N8 C24 -173.8(6) .
N2 Dy1 N8 C24 25.3(5) .
N12 C23 N10 C24 -2.7(12) .
N11 C23 N10 C24 176.0(7) .
N9 C24 N10 C23 174.2(7) .
N8 C24 N10 C23 -6.4(10) .
N8 C22 N12 C23 0.4(11) .
C21 C22 N12 C23 -176.6(7) .
N10 C23 N12 C22 5.6(12) .
N11 C23 N12 C22 -173.1(7) .
C2 C1 O1 Dy1 -8.7(12) .
O5 Dy1 O1 C1 -171.2(6) .
O2 Dy1 O1 C1 16.8(6) .
O4 Dy1 O1 C1 -140.3(7) .
N1 Dy1 O1 C1 135.9(7) .
N7 Dy1 O1 C1 -64.1(7) .
N8 Dy1 O1 C1 -31.7(8) .
N2 Dy1 O1 C1 84.3(7) .
C6 C7 O2 Dy1 -164.7(5) .
C2 C7 O2 Dy1 18.1(10) .
O5 Dy1 O2 C7 167.5(5) .
O1 Dy1 O2 C7 -22.0(6) .
O4 Dy1 O2 C7 11.8(7) .
N1 Dy1 O2 C7 -86.9(6) .
N7 Dy1 O2 C7 59.7(6) .
N8 Dy1 O2 C7 126.5(6) .
N2 Dy1 O2 C7 -143.3(6) .
C5 C6 O3 C8 7.7(12) .
C7 C6 O3 C8 -170.8(7) .
C10 C9 O4 Dy1 -1.4(12) .
O5 Dy1 O4 C9 5.2(6) .
O2 Dy1 O4 C9 171.5(6) .
O1 Dy1 O4 C9 -154.4(7) .
N1 Dy1 O4 C9 -77.5(7) .
N7 Dy1 O4 C9 122.3(7) .
N8 Dy1 O4 C9 71.4(7) .
N2 Dy1 O4 C9 -46.6(8) .
C14 C15 O5 Dy1 -173.4(5) .
C10 C15 O5 Dy1 6.4(11) .
O2 Dy1 O5 C15 -171.4(6) .
O1 Dy1 O5 C15 22.6(7) .
O4 Dy1 O5 C15 -8.0(6) .
N1 Dy1 O5 C15 73.9(6) .
N7 Dy1 O5 C15 -73.0(6) .
N8 Dy1 O5 C15 -130.3(6) .
N2 Dy1 O5 C15 139.8(6) .
C13 C14 O6 C16 -2.0(12) .
C15 C14 O6 C16 176.8(7) .
O7 N13 O9 N13 -173(4) 2
O8 N13 O9 N13 4(4) 2
