#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:08:36 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180413 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/82/7208219.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_7208219
loop_
_publ_author_name
'Yan, Xuhuan'
'Yan, Zhenzhong'
'Zhang, Ye'
'Liu, Weisheng'
'Tang, Yu'
'Tan, Minyu'
_publ_section_title
;
 Anions make the difference: conversion from zero- to one-dimensional
 structures and luminescent properties of lanthanide-based complexes
;
_journal_issue                   15
_journal_name_full               CrystEngComm
_journal_page_first              4989
_journal_paper_doi               10.1039/c2ce25210d
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C84 H92 Dy2 N14 O28'
_chemical_formula_weight         2070.72
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.0430(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.5259(5)
_cell_length_b                   14.0911(4)
_cell_length_c                   19.6787(6)
_cell_measurement_reflns_used    8596
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      26.93
_cell_measurement_theta_min      2.23
_cell_volume                     4481.7(2)
_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-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_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  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0430
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            23720
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    1.741
_exptl_absorpt_correction_T_max  0.8053
_exptl_absorpt_correction_T_min  0.5080
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2100
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.39
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.734
_refine_diff_density_min         -0.778
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     583
_refine_ls_number_reflns         10111
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0465
_refine_ls_R_factor_gt           0.0319
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0263P)²+2.9463P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0666
_refine_ls_wR_factor_ref         0.0739
_reflns_number_gt                7958
_reflns_number_total             10111
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce25210d.txt
_cod_data_source_block           666995
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7208219
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.0803(2) 0.7828(3) 0.2130(2) 0.0554(9) Uani 1 1 d .
H1 H 0.0945 0.7957 0.1707 0.066 Uiso 1 1 calc R
C2 C -0.0258(2) 0.7741(3) 0.2800(2) 0.0737(12) Uani 1 1 d .
H2A H 0.0181 0.7453 0.3133 0.110 Uiso 1 1 calc R
H2B H -0.0724 0.7320 0.2705 0.110 Uiso 1 1 calc R
H2C H -0.0417 0.8326 0.2985 0.110 Uiso 1 1 calc R
C3 C 0.46893(17) 0.6546(2) 0.36863(15) 0.0380(7) Uani 1 1 d .
C4 C 0.4791(2) 0.6451(2) 0.44519(16) 0.0469(8) Uani 1 1 d .
C5 C 0.53058(19) 0.6472(3) 0.26522(17) 0.0560(10) Uani 1 1 d .
H5A H 0.4777 0.6722 0.2410 0.067 Uiso 1 1 calc R
H5B H 0.5364 0.5836 0.2481 0.067 Uiso 1 1 calc R
C6 C 0.4176(4) 0.6682(4) 0.5451(2) 0.0878(16) Uani 1 1 d .
H6 H 0.3735 0.6888 0.5638 0.105 Uiso 1 1 calc R
C7 C 0.4136(2) 0.6745(3) 0.47446(18) 0.0604(10) Uani 1 1 d .
H7 H 0.3661 0.6988 0.4459 0.072 Uiso 1 1 calc R
C8 C 0.5507(3) 0.6076(3) 0.4893(2) 0.0668(12) Uani 1 1 d .
C9 C 0.6943(3) 0.5576(5) 0.4975(4) 0.158(4) Uani 1 1 d .
H9A H 0.6904 0.5400 0.5444 0.190 Uiso 1 1 calc R
H9B H 0.7149 0.5027 0.4767 0.190 Uiso 1 1 calc R
C10 C 0.7489(2) 0.6255(4) 0.5016(3) 0.0975(19) Uani 1 1 d .
H10A H 0.8011 0.5951 0.4997 0.117 Uiso 1 1 calc R
H10B H 0.7553 0.6525 0.5477 0.117 Uiso 1 1 calc R
C11 C 0.7900(3) 0.6953(4) 0.4015(2) 0.0760(13) Uani 1 1 d .
H11A H 0.7829 0.7528 0.3738 0.091 Uiso 1 1 calc R
H11B H 0.7679 0.6433 0.3710 0.091 Uiso 1 1 calc R
C12 C 0.8812(3) 0.6788(4) 0.4267(2) 0.0755(13) Uani 1 1 d .
C13 C 0.7426(2) 0.7958(3) 0.4874(2) 0.0583(10) Uani 1 1 d .
H13A H 0.7589 0.8439 0.4576 0.070 Uiso 1 1 calc R
H13B H 0.7833 0.7950 0.5307 0.070 Uiso 1 1 calc R
C14 C 0.65822(19) 0.8199(3) 0.5015(2) 0.0532(9) Uani 1 1 d .
H14A H 0.6168 0.8195 0.4586 0.064 Uiso 1 1 calc R
H14B H 0.6425 0.7738 0.5330 0.064 Uiso 1 1 calc R
C15 C 0.60120(17) 0.9453(2) 0.56038(16) 0.0400(7) Uani 1 1 d .
C16 C 0.46642(19) 0.9296(3) 0.58605(17) 0.0500(9) Uani 1 1 d .
H16 H 0.4177 0.8954 0.5831 0.060 Uiso 1 1 calc R
C17 C 0.52811(18) 0.8942(3) 0.55589(17) 0.0458(8) Uani 1 1 d .
H17 H 0.5210 0.8365 0.5326 0.055 Uiso 1 1 calc R
C18 C 0.47617(19) 1.0149(3) 0.62052(18) 0.0510(9) Uani 1 1 d .
H18 H 0.4340 1.0383 0.6406 0.061 Uiso 1 1 calc R
C19 C 0.54844(18) 1.0659(3) 0.62536(16) 0.0431(7) Uani 1 1 d .
H19 H 0.5547 1.1234 0.6490 0.052 Uiso 1 1 calc R
C20 C 0.61220(16) 1.0323(2) 0.59531(15) 0.0360(7) Uani 1 1 d .
C21 C 0.68819(17) 1.0919(2) 0.60445(15) 0.0365(7) Uani 1 1 d .
C22 C 0.82319(18) 1.1196(3) 0.57289(19) 0.0490(8) Uani 1 1 d .
H22A H 0.8233 1.1789 0.5979 0.059 Uiso 1 1 calc R
H22B H 0.8335 1.1339 0.5272 0.059 Uiso 1 1 calc R
C23 C 0.9177(4) 0.5962(4) 0.4114(3) 0.116(2) Uani 1 1 d .
H23 H 0.8854 0.5497 0.3851 0.139 Uiso 1 1 calc R
C24 C 1.0172(3) 0.7292(5) 0.4887(4) 0.125(2) Uani 1 1 d .
H24 H 1.0502 0.7740 0.5163 0.150 Uiso 1 1 calc R
C25 C 0.9328(3) 0.7452(4) 0.4651(3) 0.0959(17) Uani 1 1 d .
H25 H 0.9104 0.8026 0.4757 0.115 Uiso 1 1 calc R
C26 C 1.0017(5) 0.5809(6) 0.4342(5) 0.149(3) Uani 1 1 d .
H26 H 1.0247 0.5237 0.4240 0.179 Uiso 1 1 calc R
C27 C 1.0507(4) 0.6473(7) 0.4708(5) 0.146(4) Uani 1 1 d .
H27 H 1.1074 0.6372 0.4839 0.175 Uiso 1 1 calc R
C28 C 0.6614(2) 0.6709(3) 0.22133(18) 0.0554(9) Uani 1 1 d .
H28 H 0.6617 0.6062 0.2120 0.067 Uiso 1 1 calc R
C29 C 0.59957(18) 0.7092(3) 0.25013(16) 0.0454(8) Uani 1 1 d .
C30 C 0.6013(2) 0.8048(3) 0.2634(2) 0.0630(10) Uani 1 1 d .
H30 H 0.5597 0.8316 0.2825 0.076 Uiso 1 1 calc R
C31 C 0.6632(3) 0.8621(3) 0.2492(2) 0.0733(12) Uani 1 1 d .
H31 H 0.6635 0.9266 0.2590 0.088 Uiso 1 1 calc R
C32 C 0.7239(2) 0.8236(4) 0.2206(2) 0.0729(12) Uani 1 1 d .
H32 H 0.7659 0.8619 0.2109 0.088 Uiso 1 1 calc R
C33 C 0.7233(2) 0.7288(4) 0.2062(2) 0.0688(12) Uani 1 1 d .
H33 H 0.7645 0.7029 0.1861 0.083 Uiso 1 1 calc R
C34 C 0.4872(5) 0.6314(4) 0.5876(2) 0.111(2) Uani 1 1 d .
H34 H 0.4897 0.6262 0.6351 0.133 Uiso 1 1 calc R
C35 C 0.5523(4) 0.6023(4) 0.5605(2) 0.098(2) Uani 1 1 d .
H35 H 0.5991 0.5783 0.5902 0.118 Uiso 1 1 calc R
C36 C 0.8897(3) 1.0233(3) 0.6769(2) 0.0701(11) Uani 1 1 d .
H36 H 0.8442 1.0361 0.6963 0.084 Uiso 1 1 calc R
C37 C 0.8913(2) 1.0563(3) 0.6115(2) 0.0522(9) Uani 1 1 d .
C38 C 0.9587(2) 1.0346(3) 0.5829(3) 0.0807(14) Uani 1 1 d .
H38 H 0.9603 1.0551 0.5382 0.097 Uiso 1 1 calc R
C39 C 0.9546(4) 0.9716(4) 0.7139(3) 0.1008(17) Uani 1 1 d .
H39 H 0.9525 0.9491 0.7580 0.121 Uiso 1 1 calc R
C40 C 1.0242(3) 0.9821(5) 0.6209(4) 0.112(2) Uani 1 1 d .
H40 H 1.0693 0.9671 0.6015 0.134 Uiso 1 1 calc R
C41 C 1.0224(4) 0.9529(4) 0.6862(4) 0.115(2) Uani 1 1 d .
H41 H 1.0672 0.9202 0.7122 0.138 Uiso 1 1 calc R
C42 C -0.0597(3) 0.8197(5) 0.1565(3) 0.1059(19) Uani 1 1 d .
H42A H -0.0330 0.8357 0.1191 0.159 Uiso 1 1 calc R
H42B H -0.0900 0.8736 0.1676 0.159 Uiso 1 1 calc R
H42C H -0.0970 0.7677 0.1427 0.159 Uiso 1 1 calc R
Dy1 Dy 0.275647(7) 0.726126(11) 0.269829(7) 0.03406(5) Uani 1 1 d .
H6' H 0.735(2) 1.034(3) 0.5386(18) 0.048(11) Uiso 1 1 d .
N1 N 0.3177(2) 0.8914(3) 0.19775(16) 0.0599(8) Uani 1 1 d .
N2 N 0.20842(15) 0.5769(2) 0.34157(16) 0.0473(7) Uani 1 1 d .
N3 N 0.26210(17) 0.6175(2) 0.14302(15) 0.0549(8) Uani 1 1 d .
N4 N 0.74028(17) 0.7040(2) 0.45404(15) 0.0500(7) Uani 1 1 d .
N5 N 0.53232(15) 0.6434(2) 0.33933(14) 0.0545(8) Uani 1 1 d .
H5 H 0.5795 0.6329 0.3664 0.065 Uiso 1 1 calc R
N6 N 0.74232(16) 1.0745(2) 0.56533(16) 0.0464(7) Uani 1 1 d .
N7 N 0.00209(16) 0.7926(2) 0.21697(16) 0.0549(8) Uani 1 1 d .
O1 O 0.36857(14) 0.8243(2) 0.21867(13) 0.0565(6) Uani 1 1 d .
O2 O 0.3384(2) 0.9642(2) 0.17370(18) 0.0932(10) Uani 1 1 d .
O3 O 0.24416(15) 0.8764(2) 0.20423(15) 0.0682(7) Uani 1 1 d .
O4 O 0.22278(14) 0.56749(18) 0.28135(13) 0.0551(6) Uani 1 1 d .
O5 O 0.23073(13) 0.65426(18) 0.37214(12) 0.0520(6) Uani 1 1 d .
O6 O 0.17535(17) 0.5146(2) 0.36882(15) 0.0758(8) Uani 1 1 d .
O7 O 0.32663(13) 0.6161(2) 0.19000(12) 0.0567(7) Uani 1 1 d .
O8 O 0.20750(14) 0.6775(2) 0.15119(12) 0.0610(7) Uani 1 1 d .
O9 O 0.25237(18) 0.5642(3) 0.09340(14) 0.0897(10) Uani 1 1 d .
O10 O 0.13558(12) 0.75775(17) 0.26159(13) 0.0503(6) Uani 1 1 d .
O11 O 0.39918(11) 0.67487(18) 0.33253(10) 0.0464(5) Uani 1 1 d .
O12 O 0.70000(12) 1.15710(17) 0.64798(12) 0.0485(6) Uani 1 1 d .
O13 O 0.61236(15) 0.5776(2) 0.45899(16) 0.0880(11) Uani 1 1 d .
O14 O 0.66474(13) 0.91241(17) 0.53206(13) 0.0526(6) 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'
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'
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'
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
O10 C1 N7 124.3(4) . .
O10 C1 H1 117.8 . .
N7 C1 H1 117.8 . .
N7 C2 H2A 109.5 . .
N7 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
N7 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
O11 C3 N5 120.3(3) . .
O11 C3 C4 119.4(3) . .
N5 C3 C4 120.3(3) . .
C7 C4 C8 118.7(3) . .
C7 C4 C3 117.3(3) . .
C8 C4 C3 124.0(3) . .
N5 C5 C29 111.1(3) . .
N5 C5 H5A 109.4 . .
C29 C5 H5A 109.4 . .
N5 C5 H5B 109.4 . .
C29 C5 H5B 109.4 . .
H5A C5 H5B 108.0 . .
C34 C6 C7 119.7(5) . .
C34 C6 H6 120.2 . .
C7 C6 H6 120.2 . .
C6 C7 C4 121.3(4) . .
C6 C7 H7 119.4 . .
C4 C7 H7 119.4 . .
O13 C8 C35 124.6(4) . .
O13 C8 C4 117.1(3) . .
C35 C8 C4 118.3(5) . .
C10 C9 O13 116.9(4) . .
C10 C9 H9A 108.1 . .
O13 C9 H9A 108.1 . .
C10 C9 H9B 108.1 . .
O13 C9 H9B 108.1 . .
H9A C9 H9B 107.3 . .
C9 C10 N4 123.4(4) . .
C9 C10 H10A 106.5 . .
N4 C10 H10A 106.5 . .
C9 C10 H10B 106.5 . .
N4 C10 H10B 106.5 . .
H10A C10 H10B 106.5 . .
N4 C11 C12 117.1(3) . .
N4 C11 H11A 108.0 . .
C12 C11 H11A 108.0 . .
N4 C11 H11B 108.0 . .
C12 C11 H11B 108.0 . .
H11A C11 H11B 107.3 . .
C23 C12 C25 116.4(5) . .
C23 C12 C11 121.0(5) . .
C25 C12 C11 122.6(4) . .
N4 C13 C14 110.1(3) . .
N4 C13 H13A 109.6 . .
C14 C13 H13A 109.6 . .
N4 C13 H13B 109.6 . .
C14 C13 H13B 109.6 . .
H13A C13 H13B 108.1 . .
O14 C14 C13 106.8(3) . .
O14 C14 H14A 110.4 . .
C13 C14 H14A 110.4 . .
O14 C14 H14B 110.4 . .
C13 C14 H14B 110.4 . .
H14A C14 H14B 108.6 . .
O14 C15 C17 121.9(3) . .
O14 C15 C20 117.7(3) . .
C17 C15 C20 120.4(3) . .
C18 C16 C17 120.6(3) . .
C18 C16 H16 119.7 . .
C17 C16 H16 119.7 . .
C16 C17 C15 119.8(3) . .
C16 C17 H17 120.1 . .
C15 C17 H17 120.1 . .
C16 C18 C19 120.0(3) . .
C16 C18 H18 120.0 . .
C19 C18 H18 120.0 . .
C18 C19 C20 120.9(3) . .
C18 C19 H19 119.5 . .
C20 C19 H19 119.5 . .
C19 C20 C15 118.3(3) . .
C19 C20 C21 116.7(3) . .
C15 C20 C21 125.0(3) . .
O12 C21 N6 120.7(3) . .
O12 C21 C20 120.5(3) . .
N6 C21 C20 118.8(3) . .
N6 C22 C37 111.5(3) . .
N6 C22 H22A 109.3 . .
C37 C22 H22A 109.3 . .
N6 C22 H22B 109.3 . .
C37 C22 H22B 109.3 . .
H22A C22 H22B 108.0 . .
C12 C23 C26 121.2(7) . .
C12 C23 H23 119.4 . .
C26 C23 H23 119.4 . .
C27 C24 C25 119.0(7) . .
C27 C24 H24 120.5 . .
C25 C24 H24 120.5 . .
C12 C25 C24 122.3(6) . .
C12 C25 H25 118.9 . .
C24 C25 H25 118.9 . .
C27 C26 C23 121.1(8) . .
C27 C26 H26 119.4 . .
C23 C26 H26 119.4 . .
C26 C27 C24 119.9(7) . .
C26 C27 H27 120.0 . .
C24 C27 H27 120.0 . .
C29 C28 C33 120.1(4) . .
C29 C28 H28 119.9 . .
C33 C28 H28 119.9 . .
C30 C29 C28 118.3(3) . .
C30 C29 C5 121.1(3) . .
C28 C29 C5 120.6(3) . .
C29 C30 C31 121.6(4) . .
C29 C30 H30 119.2 . .
C31 C30 H30 119.2 . .
C32 C31 C30 119.5(4) . .
C32 C31 H31 120.2 . .
C30 C31 H31 120.2 . .
C31 C32 C33 120.1(4) . .
C31 C32 H32 119.9 . .
C33 C32 H32 119.9 . .
C32 C33 C28 120.2(4) . .
C32 C33 H33 119.9 . .
C28 C33 H33 119.9 . .
C35 C34 C6 120.4(5) . .
C35 C34 H34 119.8 . .
C6 C34 H34 119.8 . .
C34 C35 C8 121.7(5) . .
C34 C35 H35 119.2 . .
C8 C35 H35 119.2 . .
C39 C36 C37 120.8(5) . .
C39 C36 H36 119.6 . .
C37 C36 H36 119.6 . .
C36 C37 C38 118.8(4) . .
C36 C37 C22 120.8(3) . .
C38 C37 C22 120.3(4) . .
C37 C38 C40 120.0(5) . .
C37 C38 H38 120.0 . .
C40 C38 H38 120.0 . .
C41 C39 C36 120.2(6) . .
C41 C39 H39 119.9 . .
C36 C39 H39 119.9 . .
C41 C40 C38 120.1(5) . .
C41 C40 H40 119.9 . .
C38 C40 H40 119.9 . .
C40 C41 C39 120.1(5) . .
C40 C41 H41 120.0 . .
C39 C41 H41 120.0 . .
N7 C42 H42A 109.5 . .
N7 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
N7 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
O11 Dy1 O12 80.72(8) . 3_676
O11 Dy1 O10 149.99(8) . .
O12 Dy1 O10 86.39(8) 3_676 .
O11 Dy1 O4 87.52(9) . .
O12 Dy1 O4 127.66(8) 3_676 .
O10 Dy1 O4 79.10(8) . .
O11 Dy1 O1 80.35(8) . .
O12 Dy1 O1 81.40(8) 3_676 .
O10 Dy1 O1 124.45(9) . .
O4 Dy1 O1 146.29(9) . .
O11 Dy1 O8 127.34(8) . .
O12 Dy1 O8 148.03(9) 3_676 .
O10 Dy1 O8 74.73(8) . .
O4 Dy1 O8 74.37(9) . .
O1 Dy1 O8 88.24(9) . .
O11 Dy1 O7 76.08(8) . .
O12 Dy1 O7 150.16(7) 3_676 .
O10 Dy1 O7 122.70(8) . .
O4 Dy1 O7 70.10(8) . .
O1 Dy1 O7 76.46(9) . .
O8 Dy1 O7 51.29(8) . .
O11 Dy1 O3 128.45(9) . .
O12 Dy1 O3 74.92(9) 3_676 .
O10 Dy1 O3 72.70(8) . .
O4 Dy1 O3 142.65(8) . .
O1 Dy1 O3 51.77(8) . .
O8 Dy1 O3 74.92(10) . .
O7 Dy1 O3 105.47(9) . .
O11 Dy1 O5 79.52(7) . .
O12 Dy1 O5 76.09(8) 3_676 .
O10 Dy1 O5 71.09(8) . .
O4 Dy1 O5 51.60(8) . .
O1 Dy1 O5 151.83(8) . .
O8 Dy1 O5 119.71(8) . .
O7 Dy1 O5 117.04(9) . .
O3 Dy1 O5 134.43(9) . .
O2 N1 O3 122.4(4) . .
O2 N1 O1 122.3(3) . .
O3 N1 O1 115.3(3) . .
O6 N2 O5 121.8(3) . .
O6 N2 O4 121.9(3) . .
O5 N2 O4 116.3(3) . .
O9 N3 O7 122.0(3) . .
O9 N3 O8 122.3(3) . .
O7 N3 O8 115.7(3) . .
C10 N4 C13 113.8(4) . .
C10 N4 C11 113.8(4) . .
C13 N4 C11 115.6(3) . .
C3 N5 C5 126.1(3) . .
C3 N5 H5 117.0 . .
C5 N5 H5 117.0 . .
C21 N6 C22 125.3(3) . .
C21 N6 H6' 120(3) . .
C22 N6 H6' 114(3) . .
C1 N7 C2 121.8(3) . .
C1 N7 C42 120.7(4) . .
C2 N7 C42 117.4(3) . .
N1 O1 Dy1 97.13(19) . .
N1 O3 Dy1 95.3(2) . .
N2 O4 Dy1 97.65(19) . .
N2 O5 Dy1 94.16(18) . .
N3 O7 Dy1 96.20(18) . .
N3 O8 Dy1 96.23(18) . .
C1 O10 Dy1 132.6(2) . .
C3 O11 Dy1 174.6(2) . .
C21 O12 Dy1 178.3(2) . 3_676
C8 O13 C9 122.9(4) . .
C15 O14 C14 118.9(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O10 1.228(4) .
C1 N7 1.317(4) .
C1 H1 0.9300 .
C2 N7 1.434(5) .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
C3 O11 1.254(3) .
C3 N5 1.307(4) .
C3 C4 1.487(4) .
C4 C7 1.392(5) .
C4 C8 1.415(5) .
C5 N5 1.454(4) .
C5 C29 1.514(5) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 C34 1.374(8) .
C6 C7 1.380(5) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 O13 1.352(5) .
C8 C35 1.398(6) .
C9 C10 1.307(6) .
C9 O13 1.434(4) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 N4 1.437(5) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 N4 1.453(5) .
C11 C12 1.503(6) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C23 1.374(7) .
C12 C25 1.380(7) .
C13 N4 1.447(5) .
C13 C14 1.517(4) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 O14 1.431(4) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 O14 1.368(3) .
C15 C17 1.393(4) .
C15 C20 1.398(4) .
C16 C18 1.373(5) .
C16 C17 1.376(4) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 C19 1.380(4) .
C18 H18 0.9300 .
C19 C20 1.394(4) .
C19 H19 0.9300 .
C20 C21 1.490(4) .
C21 O12 1.244(4) .
C21 N6 1.319(4) .
C22 N6 1.459(4) .
C22 C37 1.510(5) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C26 1.384(9) .
C23 H23 0.9300 .
C24 C27 1.357(10) .
C24 C25 1.395(7) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C26 C27 1.344(11) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 C29 1.378(4) .
C28 C33 1.388(5) .
C28 H28 0.9300 .
C29 C30 1.372(5) .
C30 C31 1.377(6) .
C30 H30 0.9300 .
C31 C32 1.361(6) .
C31 H31 0.9300 .
C32 C33 1.366(7) .
C32 H32 0.9300 .
C33 H33 0.9300 .
C34 C35 1.359(8) .
C34 H34 0.9300 .
C35 H35 0.9300 .
C36 C39 1.374(6) .
C36 C37 1.374(6) .
C36 H36 0.9300 .
C37 C38 1.382(5) .
C38 C40 1.394(7) .
C38 H38 0.9300 .
C39 C41 1.371(8) .
C39 H39 0.9300 .
C40 C41 1.355(8) .
C40 H40 0.9300 .
C41 H41 0.9300 .
C42 N7 1.448(5) .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
Dy1 O11 2.2718(19) .
Dy1 O12 2.283(2) 3_676
Dy1 O10 2.329(2) .
Dy1 O4 2.428(2) .
Dy1 O1 2.435(2) .
Dy1 O8 2.468(2) .
Dy1 O7 2.477(2) .
Dy1 O3 2.479(3) .
Dy1 O5 2.501(2) .
N1 O2 1.209(4) .
N1 O3 1.265(4) .
N1 O1 1.275(4) .
N2 O6 1.216(3) .
N2 O5 1.263(4) .
N2 O4 1.263(4) .
N3 O9 1.216(4) .
N3 O7 1.257(3) .
N3 O8 1.271(4) .
N5 H5 0.8600 .
N6 H6' 0.77(3) .
O12 Dy1 2.283(2) 3_676
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_4
O11 C3 C4 C7 -10.3(5) . .
N5 C3 C4 C7 168.6(3) . .
O11 C3 C4 C8 169.1(3) . .
N5 C3 C4 C8 -11.9(5) . .
C34 C6 C7 C4 -0.7(7) . .
C8 C4 C7 C6 0.4(6) . .
C3 C4 C7 C6 180.0(4) . .
C7 C4 C8 O13 178.4(3) . .
C3 C4 C8 O13 -1.1(5) . .
C7 C4 C8 C35 -0.4(5) . .
C3 C4 C8 C35 -179.8(3) . .
O13 C9 C10 N4 -20.1(11) . .
N4 C11 C12 C23 115.9(5) . .
N4 C11 C12 C25 -65.1(6) . .
N4 C13 C14 O14 -178.0(3) . .
C18 C16 C17 C15 0.1(5) . .
O14 C15 C17 C16 179.1(3) . .
C20 C15 C17 C16 0.0(5) . .
C17 C16 C18 C19 -0.2(5) . .
C16 C18 C19 C20 0.4(5) . .
C18 C19 C20 C15 -0.3(5) . .
C18 C19 C20 C21 -179.1(3) . .
O14 C15 C20 C19 -179.0(3) . .
C17 C15 C20 C19 0.1(5) . .
O14 C15 C20 C21 -0.3(5) . .
C17 C15 C20 C21 178.8(3) . .
C19 C20 C21 O12 14.0(4) . .
C15 C20 C21 O12 -164.7(3) . .
C19 C20 C21 N6 -165.7(3) . .
C15 C20 C21 N6 15.6(5) . .
C25 C12 C23 C26 0.7(8) . .
C11 C12 C23 C26 179.7(5) . .
C23 C12 C25 C24 -1.4(8) . .
C11 C12 C25 C24 179.6(5) . .
C27 C24 C25 C12 2.9(9) . .
C12 C23 C26 C27 -1.5(11) . .
C23 C26 C27 C24 3.0(13) . .
C25 C24 C27 C26 -3.6(11) . .
C33 C28 C29 C30 -0.3(5) . .
C33 C28 C29 C5 178.5(3) . .
N5 C5 C29 C30 -65.1(4) . .
N5 C5 C29 C28 116.2(4) . .
C28 C29 C30 C31 -0.5(6) . .
C5 C29 C30 C31 -179.2(4) . .
C29 C30 C31 C32 0.6(6) . .
C30 C31 C32 C33 0.0(6) . .
C31 C32 C33 C28 -0.8(6) . .
C29 C28 C33 C32 0.9(6) . .
C7 C6 C34 C35 0.9(8) . .
C6 C34 C35 C8 -0.8(8) . .
O13 C8 C35 C34 -178.1(4) . .
C4 C8 C35 C34 0.6(7) . .
C39 C36 C37 C38 1.5(6) . .
C39 C36 C37 C22 -175.2(4) . .
N6 C22 C37 C36 -57.0(5) . .
N6 C22 C37 C38 126.3(4) . .
C36 C37 C38 C40 -1.5(7) . .
C22 C37 C38 C40 175.2(4) . .
C37 C36 C39 C41 0.6(8) . .
C37 C38 C40 C41 -0.6(9) . .
C38 C40 C41 C39 2.7(10) . .
C36 C39 C41 C40 -2.7(9) . .
C9 C10 N4 C13 122.7(7) . .
C9 C10 N4 C11 -102.0(7) . .
C14 C13 N4 C10 -82.2(4) . .
C14 C13 N4 C11 143.3(3) . .
C12 C11 N4 C10 -54.4(5) . .
C12 C11 N4 C13 80.1(5) . .
O11 C3 N5 C5 -3.5(6) . .
C4 C3 N5 C5 177.5(3) . .
C29 C5 N5 C3 132.7(4) . .
O12 C21 N6 C22 7.1(5) . .
C20 C21 N6 C22 -173.2(3) . .
C37 C22 N6 C21 99.9(4) . .
O10 C1 N7 C2 -0.2(6) . .
O10 C1 N7 C42 -178.1(4) . .
O2 N1 O1 Dy1 172.7(3) . .
O3 N1 O1 Dy1 -7.0(3) . .
O11 Dy1 O1 N1 -155.4(2) . .
O12 Dy1 O1 N1 -73.4(2) 3_676 .
O10 Dy1 O1 N1 6.2(2) . .
O4 Dy1 O1 N1 134.1(2) . .
O8 Dy1 O1 N1 76.2(2) . .
O7 Dy1 O1 N1 126.7(2) . .
O3 Dy1 O1 N1 4.13(19) . .
O5 Dy1 O1 N1 -110.5(2) . .
O2 N1 O3 Dy1 -172.8(3) . .
O1 N1 O3 Dy1 6.9(3) . .
O11 Dy1 O3 N1 22.0(3) . .
O12 Dy1 O3 N1 86.7(2) 3_676 .
O10 Dy1 O3 N1 177.6(2) . .
O4 Dy1 O3 N1 -139.7(2) . .
O1 Dy1 O3 N1 -4.15(19) . .
O8 Dy1 O3 N1 -104.0(2) . .
O7 Dy1 O3 N1 -62.3(2) . .
O5 Dy1 O3 N1 138.92(19) . .
O6 N2 O4 Dy1 175.4(3) . .
O5 N2 O4 Dy1 -5.0(3) . .
O11 Dy1 O4 N2 81.45(17) . .
O12 Dy1 O4 N2 5.2(2) 3_676 .
O10 Dy1 O4 N2 -71.55(18) . .
O1 Dy1 O4 N2 149.90(17) . .
O8 Dy1 O4 N2 -148.57(19) . .
O7 Dy1 O4 N2 157.54(19) . .
O3 Dy1 O4 N2 -112.8(2) . .
O5 Dy1 O4 N2 2.87(16) . .
O6 N2 O5 Dy1 -175.6(3) . .
O4 N2 O5 Dy1 4.8(3) . .
O11 Dy1 O5 N2 -98.05(17) . .
O12 Dy1 O5 N2 179.02(18) 3_676 .
O10 Dy1 O5 N2 88.09(17) . .
O4 Dy1 O5 N2 -2.86(16) . .
O1 Dy1 O5 N2 -143.07(19) . .
O8 Dy1 O5 N2 29.2(2) . .
O7 Dy1 O5 N2 -29.71(19) . .
O3 Dy1 O5 N2 127.20(18) . .
O9 N3 O7 Dy1 -171.5(3) . .
O8 N3 O7 Dy1 7.8(3) . .
O11 Dy1 O7 N3 173.4(2) . .
O12 Dy1 O7 N3 -146.6(2) 3_676 .
O10 Dy1 O7 N3 19.1(2) . .
O4 Dy1 O7 N3 81.0(2) . .
O1 Dy1 O7 N3 -103.4(2) . .
O8 Dy1 O7 N3 -4.61(19) . .
O3 Dy1 O7 N3 -60.0(2) . .
O5 Dy1 O7 N3 103.1(2) . .
O9 N3 O8 Dy1 171.5(3) . .
O7 N3 O8 Dy1 -7.8(3) . .
O11 Dy1 O8 N3 2.1(2) . .
O12 Dy1 O8 N3 149.19(19) 3_676 .
O10 Dy1 O8 N3 -154.9(2) . .
O4 Dy1 O8 N3 -72.2(2) . .
O1 Dy1 O8 N3 78.6(2) . .
O7 Dy1 O8 N3 4.56(18) . .
O3 Dy1 O8 N3 129.3(2) . .
O5 Dy1 O8 N3 -97.8(2) . .
N7 C1 O10 Dy1 176.1(3) . .
O11 Dy1 O10 C1 -174.6(3) . .
O12 Dy1 O10 C1 121.0(3) 3_676 .
O4 Dy1 O10 C1 -109.5(3) . .
O1 Dy1 O10 C1 44.0(4) . .
O8 Dy1 O10 C1 -32.9(3) . .
O7 Dy1 O10 C1 -51.9(4) . .
O3 Dy1 O10 C1 45.7(3) . .
O5 Dy1 O10 C1 -162.4(3) . .
N5 C3 O11 Dy1 -96(2) . .
C4 C3 O11 Dy1 83(2) . .
O12 Dy1 O11 C3 -28(2) 3_676 .
O10 Dy1 O11 C3 -94(2) . .
O4 Dy1 O11 C3 -157(2) . .
O1 Dy1 O11 C3 54(2) . .
O8 Dy1 O11 C3 135(2) . .
O7 Dy1 O11 C3 133(2) . .
O3 Dy1 O11 C3 34(2) . .
O5 Dy1 O11 C3 -106(2) . .
N6 C21 O12 Dy1 -80(7) . 3_676
C20 C21 O12 Dy1 100(7) . 3_676
C35 C8 O13 C9 -15.2(6) . .
C4 C8 O13 C9 166.1(4) . .
C10 C9 O13 C8 -95.6(7) . .
C17 C15 O14 C14 -4.7(5) . .
C20 C15 O14 C14 174.4(3) . .
C13 C14 O14 C15 -169.5(3) . .
