#------------------------------------------------------------------------------
#$Date: 2019-10-30 12:29:58 +0200 (Wed, 30 Oct 2019) $
#$Revision: 220544 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/48/7234877.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_7234877
loop_
_publ_author_name
'Soumyabrata Roy'
'Oinam Bijeta Chanu'
'Sumanta Sarkar'
'Sebastian C. Peter'
_publ_section_title
;
 Selective colorimetric detection of Cu2+ by lanthanide based hybrid
 complexes associated with a single crystal growth mediated transformation
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              6256
_journal_page_last               6269
_journal_paper_doi               10.1039/C6TC00785F
_journal_volume                  4
_journal_year                    2016
_chemical_formula_moiety
'C48 H40 Dy2 N10 O14, 2(C10 H8 N2), 2(C2 H6 O), 2(N O3)'
_chemical_formula_sum            'C72 H68 Dy2 N16 O22'
_chemical_formula_weight         1834.42
_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
_atom_sites_solution_primary     direct
_cell_angle_alpha                101.792(3)
_cell_angle_beta                 101.965(3)
_cell_angle_gamma                104.347(2)
_cell_formula_units_Z            1
_cell_length_a                   10.0671(5)
_cell_length_b                   10.8650(5)
_cell_length_c                   19.0097(12)
_cell_measurement_reflns_used    7551
_cell_measurement_temperature    295
_cell_measurement_theta_max      26.46
_cell_volume                     1897.56(18)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      295.15
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0899
_diffrn_reflns_av_unetI/netI     0.1205
_diffrn_reflns_Laue_measured_fraction_full 0.969
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            27267
_diffrn_reflns_point_group_measured_fraction_full 0.969
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.461
_diffrn_reflns_theta_min         2.009
_exptl_absorpt_coefficient_mu    2.039
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.6453
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'clear reddish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_description       rhombohedral
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.093
_refine_diff_density_min         -2.661
_refine_diff_density_rms         0.350
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         7551
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.1171
_refine_ls_R_factor_gt           0.0653
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1290P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1615
_refine_ls_wR_factor_ref         0.2162
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5052
_reflns_number_total             7551
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            J-Mater-Chem-C-2016-4-6256.cif
_cod_data_source_block           obcr_2
_cod_database_code               7234877
_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   0.854
_shelx_estimated_absorpt_t_min   0.750
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
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
C1 C 0.2124(11) 0.0398(10) 0.6161(6) 0.036(2) Uani 1 1 d . . . . .
C2 C 0.2679(11) -0.0063(10) 0.6814(6) 0.039(2) Uani 1 1 d . . . . .
C3 C 0.1784(12) -0.0757(10) 0.7173(6) 0.043(3) Uani 1 1 d . . . . .
H3 H 0.0801 -0.0950 0.7002 0.051 Uiso 1 1 calc R . . . .
C4 C 0.2362(13) -0.1147(11) 0.7774(6) 0.047(3) Uani 1 1 d . . . . .
H4 H 0.1761 -0.1601 0.8009 0.057 Uiso 1 1 calc R . . . .
C5 C 0.3822(15) -0.0884(12) 0.8041(7) 0.056(3) Uani 1 1 d . . . . .
C6 C 0.4700(12) -0.0182(11) 0.7684(6) 0.047(3) Uani 1 1 d . . . . .
H6 H 0.5680 -0.0012 0.7851 0.056 Uiso 1 1 calc R . . . .
C7 C 0.4181(11) 0.0252(10) 0.7111(6) 0.041(2) Uani 1 1 d . . . . .
H7 H 0.4800 0.0761 0.6906 0.049 Uiso 1 1 calc R . . . .
C9 C -0.0856(10) 0.1436(10) 0.6083(6) 0.036(2) Uani 1 1 d . . . . .
C10 C -0.1055(10) 0.2127(10) 0.6780(5) 0.033(2) Uani 1 1 d . . . . .
C11 C -0.1492(13) 0.1474(12) 0.7301(7) 0.051(3) Uani 1 1 d . . . . .
H11 H -0.1751 0.0558 0.7179 0.061 Uiso 1 1 calc R . . . .
C12 C -0.1545(13) 0.2140(13) 0.7972(6) 0.055(3) Uani 1 1 d . . . . .
H12 H -0.1827 0.1674 0.8303 0.066 Uiso 1 1 calc R . . . .
C13 C -0.1189(12) 0.3505(13) 0.8179(6) 0.050(3) Uani 1 1 d . . . . .
C14 C -0.0829(14) 0.4154(13) 0.7652(7) 0.056(3) Uani 1 1 d . . . . .
H14 H -0.0649 0.5064 0.7760 0.067 Uiso 1 1 calc R . . . .
C15 C -0.0735(12) 0.3497(11) 0.6988(6) 0.045(3) Uani 1 1 d . . . . .
H15 H -0.0448 0.3970 0.6661 0.054 Uiso 1 1 calc R . . . .
C16 C 0.4593(11) 0.1462(12) 0.4639(7) 0.048(3) Uani 1 1 d . . . . .
H16 H 0.3994 0.0644 0.4338 0.057 Uiso 1 1 calc R . . . .
C17 C 0.6023(12) 0.1734(13) 0.4721(7) 0.055(3) Uani 1 1 d . . . . .
H17 H 0.6380 0.1118 0.4470 0.066 Uiso 1 1 calc R . . . .
C18 C 0.6932(12) 0.2926(13) 0.5177(7) 0.056(3) Uani 1 1 d . . . . .
H18 H 0.7909 0.3131 0.5234 0.068 Uiso 1 1 calc R . . . .
C19 C 0.4905(11) 0.3466(10) 0.5432(6) 0.037(2) Uani 1 1 d . . . . .
C20 C 0.4247(10) 0.4391(10) 0.5819(6) 0.037(2) Uani 1 1 d . . . . .
C21 C 0.2181(13) 0.4849(10) 0.5967(6) 0.046(3) Uani 1 1 d . . . . .
H21 H 0.1191 0.4592 0.5849 0.055 Uiso 1 1 calc R . . . .
C22 C 0.2909(12) 0.6074(11) 0.6441(8) 0.057(3) Uani 1 1 d . . . . .
H22 H 0.2440 0.6627 0.6652 0.069 Uiso 1 1 calc R . . . .
C23 C 0.4375(14) 0.6445(11) 0.6591(7) 0.061(4) Uani 1 1 d . . . . .
H23 H 0.4907 0.7269 0.6913 0.074 Uiso 1 1 calc R . . . .
C24 C 0.5059(12) 0.5644(11) 0.6284(7) 0.049(3) Uani 1 1 d . . . . .
H24 H 0.6046 0.5919 0.6379 0.059 Uiso 1 1 calc R . . . .
C25 C 0.6373(12) 0.3802(12) 0.5544(7) 0.051(3) Uani 1 1 d . . . . .
H25 H 0.6964 0.4609 0.5863 0.061 Uiso 1 1 calc R . . . .
C31 C 0.5052(16) -0.4622(13) 0.8890(8) 0.062(4) Uani 1 1 d . . . . .
C33 C 0.5917(16) -0.3693(13) 0.9645(7) 0.058(3) Uani 1 1 d . . . . .
C35 C 0.591(3) -0.2103(18) 1.0646(12) 0.128(9) Uani 1 1 d . . . . .
H35 H 0.5455 -0.1585 1.0897 0.154 Uiso 1 1 calc R . . . .
C36 C 0.735(3) -0.2015(19) 1.0981(11) 0.114(7) Uani 1 1 d . . . . .
H36 H 0.7863 -0.1398 1.1434 0.136 Uiso 1 1 calc R . . . .
C37 C 0.792(2) -0.282(2) 1.0635(12) 0.116(7) Uani 1 1 d . . . . .
H37 H 0.8830 -0.2827 1.0872 0.139 Uiso 1 1 calc R . . . .
C38 C 0.7252(18) -0.3656(18) 0.9947(9) 0.089(5) Uani 1 1 d . . . . .
H38 H 0.7702 -0.4180 0.9695 0.107 Uiso 1 1 calc R . . . .
C39 C 0.5623(18) -0.5442(15) 0.8481(8) 0.071(4) Uani 1 1 d . . . . .
H39 H 0.6550 -0.5462 0.8652 0.086 Uiso 1 1 calc R . . . .
C40 C 0.470(3) -0.6265(18) 0.7772(11) 0.108(7) Uani 1 1 d . . . . .
H40 H 0.5012 -0.6841 0.7460 0.129 Uiso 1 1 calc R . . . .
C41 C 0.333(3) -0.6178(17) 0.7565(11) 0.117(8) Uani 1 1 d . . . . .
H41 H 0.2728 -0.6695 0.7103 0.140 Uiso 1 1 calc R . . . .
C42 C 0.290(2) -0.543(2) 0.7977(11) 0.111(7) Uani 1 1 d . . . . .
H42 H 0.1962 -0.5427 0.7814 0.133 Uiso 1 1 calc R . . . .
C44 C 0.873(2) -0.092(2) 0.8961(14) 0.120(8) Uani 1 1 d D . . . .
H44A H 0.8932 -0.1297 0.9376 0.145 Uiso 1 1 calc R . . . .
H44B H 0.9581 -0.0226 0.8996 0.145 Uiso 1 1 calc R . . . .
C45 C 0.836(3) -0.194(3) 0.8259(14) 0.161(11) Uani 1 1 d . . . . .
H45A H 0.9139 -0.2292 0.8239 0.242 Uiso 1 1 calc R . . . .
H45B H 0.7527 -0.2627 0.8228 0.242 Uiso 1 1 calc R . . . .
H45C H 0.8174 -0.1557 0.7849 0.242 Uiso 1 1 calc R . . . .
N1 N 0.4365(14) -0.1334(12) 0.8639(7) 0.081(4) Uani 1 1 d . . . . .
H1A H 0.3796 -0.1775 0.8842 0.097 Uiso 1 1 calc R . . . .
H1B H 0.5270 -0.1171 0.8805 0.097 Uiso 1 1 calc R . . . .
N2 N -0.1206(13) 0.4210(12) 0.8866(6) 0.072(3) Uani 1 1 d . . . . .
H2A H -0.1445 0.3803 0.9186 0.086 Uiso 1 1 calc R . . . .
H2B H -0.0978 0.5057 0.8976 0.086 Uiso 1 1 calc R . . . .
N3 N 0.4016(8) 0.2315(8) 0.4971(5) 0.037(2) Uani 1 1 d . . . . .
N4 N 0.2794(9) 0.3993(8) 0.5660(5) 0.038(2) Uani 1 1 d . . . . .
N5 N 0.3689(14) -0.4636(14) 0.8639(7) 0.082(4) Uani 1 1 d . . . . .
N6 N 0.5206(17) -0.2951(13) 0.9956(7) 0.087(4) Uani 1 1 d . . . . .
N7 N 0.0666(11) 0.3211(9) 0.3957(6) 0.048(2) Uani 1 1 d . . . . .
N8 N 0.1598(18) -0.2588(17) 0.9596(9) 0.089(4) Uani 1 1 d . . . . .
O1 O 0.2888(7) 0.1412(7) 0.6045(4) 0.0445(18) Uani 1 1 d . . . . .
O2 O 0.0909(7) -0.0251(7) 0.5713(4) 0.0415(17) Uani 1 1 d . . . . .
O3 O 0.0024(7) 0.2074(7) 0.5800(4) 0.0397(17) Uani 1 1 d . . . . .
O4 O -0.1584(8) 0.0224(7) 0.5789(4) 0.0464(18) Uani 1 1 d . . . . .
O5 O 0.1588(8) 0.2536(8) 0.3900(4) 0.051(2) Uani 1 1 d . . . . .
O6 O 0.0093(9) 0.3126(7) 0.4468(5) 0.052(2) Uani 1 1 d . . . . .
O7 O 0.0488(10) 0.3888(8) 0.3545(5) 0.067(3) Uani 1 1 d . . . . .
O8 O 0.0753(18) -0.2728(19) 0.9951(9) 0.148(7) Uani 1 1 d . . . . .
O9 O 0.2436(19) -0.1482(18) 0.9660(9) 0.142(6) Uani 1 1 d . . . . .
O10 O 0.1626(15) -0.3445(17) 0.9086(10) 0.146(6) Uani 1 1 d . . . . .
O11 O 0.7646(15) -0.0402(16) 0.9001(8) 0.135(5) Uani 1 1 d D . . . .
H11A H 0.7867 0.0168 0.9398 0.203 Uiso 1 1 calc R . . . .
Dy1 Dy 0.13551(5) 0.16168(4) 0.49647(3) 0.0317(2) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
Dy Dy -0.1892 4.4098 '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'
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
C2 C1 Dy1 172.5(7) . .
O1 C1 C2 119.5(9) . .
O1 C1 O2 120.7(10) . .
O1 C1 Dy1 53.1(5) . .
O2 C1 C2 119.7(10) . .
O2 C1 Dy1 67.8(6) . .
C3 C2 C1 122.7(10) . .
C3 C2 C7 118.1(10) . .
C7 C2 C1 119.1(10) . .
C2 C3 H3 120.1 . .
C4 C3 C2 119.8(11) . .
C4 C3 H3 120.1 . .
C3 C4 H4 119.1 . .
C3 C4 C5 121.7(12) . .
C5 C4 H4 119.1 . .
C4 C5 C6 117.9(11) . .
C4 C5 N1 119.9(13) . .
N1 C5 C6 122.2(12) . .
C5 C6 H6 118.9 . .
C7 C6 C5 122.3(11) . .
C7 C6 H6 118.9 . .
C2 C7 H7 120.0 . .
C6 C7 C2 120.1(11) . .
C6 C7 H7 120.0 . .
O3 C9 C10 118.1(9) . .
O3 C9 O4 123.4(9) . .
O4 C9 C10 118.5(9) . .
C11 C10 C9 122.8(9) . .
C15 C10 C9 121.1(9) . .
C15 C10 C11 116.0(10) . .
C10 C11 H11 119.0 . .
C12 C11 C10 122.0(11) . .
C12 C11 H11 119.0 . .
C11 C12 H12 119.3 . .
C11 C12 C13 121.4(11) . .
C13 C12 H12 119.3 . .
C12 C13 C14 117.0(10) . .
N2 C13 C12 122.5(12) . .
N2 C13 C14 120.4(12) . .
C13 C14 H14 119.1 . .
C15 C14 C13 121.8(11) . .
C15 C14 H14 119.1 . .
C10 C15 H15 119.1 . .
C14 C15 C10 121.7(11) . .
C14 C15 H15 119.1 . .
C17 C16 H16 118.5 . .
N3 C16 H16 118.5 . .
N3 C16 C17 123.0(11) . .
C16 C17 H17 120.2 . .
C16 C17 C18 119.5(11) . .
C18 C17 H17 120.2 . .
C17 C18 H18 120.7 . .
C25 C18 C17 118.7(10) . .
C25 C18 H18 120.7 . .
C25 C19 C20 120.7(10) . .
N3 C19 C20 116.9(9) . .
N3 C19 C25 122.4(10) . .
C24 C20 C19 122.0(9) . .
N4 C20 C19 116.7(9) . .
N4 C20 C24 121.2(9) . .
C22 C21 H21 117.7 . .
N4 C21 H21 117.7 . .
N4 C21 C22 124.6(11) . .
C21 C22 H22 121.7 . .
C21 C22 C23 116.5(11) . .
C23 C22 H22 121.7 . .
C22 C23 H23 119.1 . .
C24 C23 C22 121.9(11) . .
C24 C23 H23 119.1 . .
C20 C24 H24 120.8 . .
C23 C24 C20 118.4(10) . .
C23 C24 H24 120.8 . .
C18 C25 C19 118.8(11) . .
C18 C25 H25 120.6 . .
C19 C25 H25 120.6 . .
C39 C31 C33 121.1(13) . .
N5 C31 C33 117.7(12) . .
N5 C31 C39 121.1(13) . .
C38 C33 C31 121.6(12) . .
C38 C33 N6 125.4(13) . .
N6 C33 C31 113.1(13) . .
C36 C35 H35 120.0 . .
N6 C35 H35 120.0 . .
N6 C35 C36 120(2) . .
C35 C36 H36 120.8 . .
C37 C36 C35 118.3(19) . .
C37 C36 H36 120.8 . .
C36 C37 H37 118.8 . .
C36 C37 C38 122(2) . .
C38 C37 H37 118.8 . .
C33 C38 C37 117.3(17) . .
C33 C38 H38 121.4 . .
C37 C38 H38 121.4 . .
C31 C39 H39 122.1 . .
C31 C39 C40 115.8(15) . .
C40 C39 H39 122.1 . .
C39 C40 H40 120.9 . .
C41 C40 C39 118.1(16) . .
C41 C40 H40 120.9 . .
C40 C41 H41 119.1 . .
C42 C41 C40 122(2) . .
C42 C41 H41 119.1 . .
C41 C42 H42 118.1 . .
C41 C42 N5 124(2) . .
N5 C42 H42 118.1 . .
H44A C44 H44B 108.1 . .
C45 C44 H44A 109.6 . .
C45 C44 H44B 109.6 . .
O11 C44 H44A 109.6 . .
O11 C44 H44B 109.6 . .
O11 C44 C45 110.5(19) . .
C44 C45 H45A 109.5 . .
C44 C45 H45B 109.5 . .
C44 C45 H45C 109.5 . .
H45A C45 H45B 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
C5 N1 H1A 120.0 . .
C5 N1 H1B 120.0 . .
H1A N1 H1B 120.0 . .
C13 N2 H2A 120.0 . .
C13 N2 H2B 120.0 . .
H2A N2 H2B 120.0 . .
C16 N3 C19 117.6(9) . .
C16 N3 Dy1 121.4(7) . .
C19 N3 Dy1 119.8(6) . .
C20 N4 Dy1 120.8(6) . .
C21 N4 C20 117.4(9) . .
C21 N4 Dy1 121.3(7) . .
C42 N5 C31 119.5(16) . .
C33 N6 C35 116.4(17) . .
O5 N7 Dy1 56.8(5) . .
O6 N7 O5 115.8(9) . .
O6 N7 Dy1 59.0(5) . .
O7 N7 O5 119.4(10) . .
O7 N7 O6 124.8(11) . .
O7 N7 Dy1 175.2(8) . .
O8 N8 O9 122.1(19) . .
O8 N8 O10 124(2) . .
O10 N8 O9 113.2(18) . .
C1 O1 Dy1 101.8(6) . .
C1 O2 Dy1 171.0(7) . 2_556
C1 O2 Dy1 86.5(6) . .
Dy1 O2 Dy1 102.3(3) 2_556 .
C9 O3 Dy1 137.8(6) . .
C9 O4 Dy1 137.6(7) . 2_556
N7 O5 Dy1 96.5(6) . .
N7 O6 Dy1 96.1(6) . .
C44 O11 H11A 109.5 . .
C1 Dy1 N7 170.9(3) . .
C1 Dy1 Dy1 61.0(2) . 2_556
N3 Dy1 C1 88.4(3) . .
N3 Dy1 N7 91.7(3) . .
N3 Dy1 O2 109.1(2) . .
N3 Dy1 Dy1 135.07(17) . 2_556
N4 Dy1 C1 98.1(3) . .
N4 Dy1 N3 63.7(3) . .
N4 Dy1 N7 73.9(3) . .
N4 Dy1 O2 120.5(2) . .
N4 Dy1 Dy1 145.78(19) . 2_556
N7 Dy1 Dy1 123.72(19) . 2_556
O1 Dy1 C1 25.1(3) . .
O1 Dy1 N3 67.3(3) . .
O1 Dy1 N4 76.6(3) . .
O1 Dy1 N7 149.3(3) . .
O1 Dy1 O2 50.8(2) . .
O1 Dy1 O5 137.8(3) . .
O1 Dy1 O6 143.7(3) . .
O1 Dy1 Dy1 86.08(17) . 2_556
O2 Dy1 C1 25.7(2) . .
O2 Dy1 C1 103.4(3) 2_556 .
O2 Dy1 N3 144.7(3) 2_556 .
O2 Dy1 N4 143.7(3) 2_556 .
O2 Dy1 N7 158.2(3) . .
O2 Dy1 N7 81.6(3) 2_556 .
O2 Dy1 O1 128.5(3) 2_556 .
O2 Dy1 O2 77.7(3) 2_556 .
O2 Dy1 O3 78.7(3) 2_556 .
O2 Dy1 O5 90.0(3) 2_556 .
O2 Dy1 O6 75.2(3) 2_556 .
O2 Dy1 Dy1 42.41(18) 2_556 2_556
O2 Dy1 Dy1 35.28(14) . 2_556
O3 Dy1 C1 73.3(3) . .
O3 Dy1 N3 136.6(3) . .
O3 Dy1 N4 79.9(2) . .
O3 Dy1 N7 100.7(3) . .
O3 Dy1 O1 82.3(3) . .
O3 Dy1 O2 68.8(2) . .
O3 Dy1 O5 127.4(3) . .
O3 Dy1 O6 75.8(3) . .
O3 Dy1 Dy1 68.53(17) . 2_556
O4 Dy1 C1 84.1(3) 2_556 .
O4 Dy1 N3 76.5(3) 2_556 .
O4 Dy1 N4 140.1(3) 2_556 .
O4 Dy1 N7 104.7(3) 2_556 .
O4 Dy1 O1 92.4(3) 2_556 .
O4 Dy1 O2 75.2(2) 2_556 .
O4 Dy1 O2 71.8(3) 2_556 2_556
O4 Dy1 O3 137.3(2) 2_556 .
O4 Dy1 O5 83.4(3) 2_556 .
O4 Dy1 O6 123.2(3) 2_556 .
O4 Dy1 Dy1 68.83(18) 2_556 2_556
O5 Dy1 C1 157.8(3) . .
O5 Dy1 N3 70.9(3) . .
O5 Dy1 N4 80.1(3) . .
O5 Dy1 N7 26.8(3) . .
O5 Dy1 O2 157.7(3) . .
O5 Dy1 O6 51.6(3) . .
O5 Dy1 Dy1 129.73(19) . 2_556
O6 Dy1 C1 148.7(3) . .
O6 Dy1 N3 111.1(3) . .
O6 Dy1 N4 71.3(3) . .
O6 Dy1 N7 24.9(3) . .
O6 Dy1 O2 138.8(3) . .
O6 Dy1 Dy1 111.6(2) . 2_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.486(15) .
C1 O1 1.266(12) .
C1 O2 1.270(12) .
C1 Dy1 2.921(11) .
C2 C3 1.405(15) .
C2 C7 1.427(15) .
C3 H3 0.9300 .
C3 C4 1.366(15) .
C4 H4 0.9300 .
C4 C5 1.386(18) .
C5 C6 1.397(18) .
C5 N1 1.389(16) .
C6 H6 0.9300 .
C6 C7 1.332(15) .
C7 H7 0.9300 .
C9 C10 1.462(14) .
C9 O3 1.265(12) .
C9 O4 1.278(12) .
C10 C11 1.411(15) .
C10 C15 1.394(14) .
C11 H11 0.9300 .
C11 C12 1.350(16) .
C12 H12 0.9300 .
C12 C13 1.386(17) .
C13 C14 1.394(17) .
C13 N2 1.380(15) .
C14 H14 0.9300 .
C14 C15 1.352(16) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C16 C17 1.364(15) .
C16 N3 1.332(13) .
C17 H17 0.9300 .
C17 C18 1.375(17) .
C18 H18 0.9300 .
C18 C25 1.367(17) .
C19 C20 1.491(14) .
C19 C25 1.390(15) .
C19 N3 1.344(12) .
C20 C24 1.400(14) .
C20 N4 1.366(13) .
C21 H21 0.9300 .
C21 C22 1.369(15) .
C21 N4 1.341(13) .
C22 H22 0.9300 .
C22 C23 1.381(17) .
C23 H23 0.9300 .
C23 C24 1.352(16) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C31 C33 1.514(18) .
C31 C39 1.373(19) .
C31 N5 1.352(18) .
C33 C38 1.33(2) .
C33 N6 1.334(17) .
C35 H35 0.9300 .
C35 C36 1.42(3) .
C35 N6 1.37(2) .
C36 H36 0.9300 .
C36 C37 1.31(3) .
C37 H37 0.9300 .
C37 C38 1.35(2) .
C38 H38 0.9300 .
C39 H39 0.9300 .
C39 C40 1.43(3) .
C40 H40 0.9300 .
C40 C41 1.38(3) .
C41 H41 0.9300 .
C41 C42 1.23(3) .
C42 H42 0.9300 .
C42 N5 1.33(2) .
C44 H44A 0.9700 .
C44 H44B 0.9700 .
C44 C45 1.46(3) .
C44 O11 1.354(9) .
C45 H45A 0.9600 .
C45 H45B 0.9600 .
C45 H45C 0.9600 .
N1 H1A 0.8600 .
N1 H1B 0.8600 .
N2 H2A 0.8600 .
N2 H2B 0.8600 .
N3 Dy1 2.594(8) .
N4 Dy1 2.543(8) .
N7 O5 1.326(12) .
N7 O6 1.237(12) .
N7 O7 1.195(12) .
N7 Dy1 2.925(10) .
N8 O8 1.191(19) .
N8 O9 1.25(2) .
N8 O10 1.210(18) .
O1 Dy1 2.386(7) .
O2 Dy1 2.320(7) 2_556
O2 Dy1 2.709(7) .
O3 Dy1 2.335(7) .
O4 Dy1 2.302(7) 2_556
O5 Dy1 2.462(8) .
O6 Dy1 2.522(7) .
O11 H11A 0.8200 .
Dy1 O2 2.320(7) 2_556
Dy1 O4 2.302(7) 2_556
Dy1 Dy1 3.9241(9) 2_556
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
C1 C2 C3 C4 -179.6(10) . . . .
C1 C2 C7 C6 -178.2(9) . . . .
C2 C1 O1 Dy1 -178.3(7) . . . .
C2 C1 O2 Dy1 178.9(8) . . . .
C2 C3 C4 C5 -0.4(17) . . . .
C3 C2 C7 C6 4.3(16) . . . .
C3 C4 C5 C6 1.0(18) . . . .
C3 C4 C5 N1 -178.0(11) . . . .
C4 C5 C6 C7 1.2(17) . . . .
C5 C6 C7 C2 -3.8(17) . . . .
C7 C2 C3 C4 -2.2(15) . . . .
C9 C10 C11 C12 173.9(11) . . . .
C9 C10 C15 C14 -175.8(10) . . . .
C10 C9 O3 Dy1 158.6(7) . . . .
C10 C9 O4 Dy1 -152.2(7) . . . 2_556
C10 C11 C12 C13 0.9(19) . . . .
C11 C10 C15 C14 0.5(16) . . . .
C11 C12 C13 C14 2.5(18) . . . .
C11 C12 C13 N2 -178.6(12) . . . .
C12 C13 C14 C15 -4.4(18) . . . .
C13 C14 C15 C10 3.0(19) . . . .
C15 C10 C11 C12 -2.4(17) . . . .
C16 C17 C18 C25 1(2) . . . .
C17 C16 N3 C19 -3.1(17) . . . .
C17 C16 N3 Dy1 -170.3(10) . . . .
C17 C18 C25 C19 -1.2(18) . . . .
C19 C20 C24 C23 177.4(11) . . . .
C19 C20 N4 C21 -175.8(9) . . . .
C19 C20 N4 Dy1 12.6(12) . . . .
C20 C19 C25 C18 -179.9(10) . . . .
C20 C19 N3 C16 -178.0(10) . . . .
C20 C19 N3 Dy1 -10.6(12) . . . .
C21 C22 C23 C24 0(2) . . . .
C22 C21 N4 C20 -1.8(17) . . . .
C22 C21 N4 Dy1 169.7(10) . . . .
C22 C23 C24 C20 -2(2) . . . .
C24 C20 N4 C21 0.0(15) . . . .
C24 C20 N4 Dy1 -171.5(8) . . . .
C25 C19 C20 C24 2.5(16) . . . .
C25 C19 C20 N4 178.4(10) . . . .
C25 C19 N3 C16 2.6(16) . . . .
C25 C19 N3 Dy1 170.0(8) . . . .
C31 C33 C38 C37 -177.9(18) . . . .
C31 C33 N6 C35 178.9(16) . . . .
C31 C39 C40 C41 -1(3) . . . .
C33 C31 C39 C40 -179.4(14) . . . .
C33 C31 N5 C42 179.6(16) . . . .
C35 C36 C37 C38 6(4) . . . .
C36 C35 N6 C33 2(3) . . . .
C36 C37 C38 C33 -4(3) . . . .
C38 C33 N6 C35 -1(2) . . . .
C39 C31 C33 C38 -1(2) . . . .
C39 C31 C33 N6 178.6(14) . . . .
C39 C31 N5 C42 -2(2) . . . .
C39 C40 C41 C42 -1(3) . . . .
C40 C41 C42 N5 1(4) . . . .
C41 C42 N5 C31 0(3) . . . .
N1 C5 C6 C7 -179.8(11) . . . .
N2 C13 C14 C15 176.7(12) . . . .
N3 C16 C17 C18 1(2) . . . .
N3 C19 C20 C24 -176.9(10) . . . .
N3 C19 C20 N4 -1.1(14) . . . .
N3 C19 C25 C18 -0.5(17) . . . .
N4 C20 C24 C23 1.8(17) . . . .
N4 C21 C22 C23 2(2) . . . .
N5 C31 C33 C38 177.3(17) . . . .
N5 C31 C33 N6 -3(2) . . . .
N5 C31 C39 C40 2(2) . . . .
N6 C33 C38 C37 2(3) . . . .
N6 C35 C36 C37 -5(4) . . . .
O1 C1 C2 C3 151.8(10) . . . .
O1 C1 C2 C7 -25.5(14) . . . .
O1 C1 O2 Dy1 -3.4(9) . . . .
O2 C1 C2 C3 -30.5(14) . . . .
O2 C1 C2 C7 152.2(9) . . . .
O2 C1 O1 Dy1 4.0(10) . . . .
O3 C9 C10 C11 -152.7(10) . . . .
O3 C9 C10 C15 23.3(14) . . . .
O3 C9 O4 Dy1 28.2(16) . . . 2_556
O4 C9 C10 C11 27.6(14) . . . .
O4 C9 C10 C15 -156.3(10) . . . .
O4 C9 O3 Dy1 -21.8(16) . . . .
O5 N7 O6 Dy1 0.3(9) . . . .
O6 N7 O5 Dy1 -0.3(9) . . . .
O7 N7 O5 Dy1 176.7(9) . . . .
O7 N7 O6 Dy1 -176.5(10) . . . .
