#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:44:41 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179732 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/28/7002892.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_7002892
loop_
_publ_author_name
'Zhang, Juwen'
'Yan, Pengfei'
'Li, Guangming'
'Hou, Guangfeng'
'Suda, Masayuki'
'Einaga, Yasuaki'
_publ_section_title
;
 Systematic investigation of an array of TCNQ lanthanide complexes:
 synthesis, structure and magnetic properties
;
_journal_issue                   47
_journal_name_full               'Dalton Transactions'
_journal_page_first              10466
_journal_page_last               10473
_journal_paper_doi               10.1039/b909213g
_journal_year                    2009
_chemical_formula_moiety
'C48 H36 Dy2 N16 O10, 2(C12 H4 N4), 4(H2 O), H4 O'
_chemical_formula_sum            'C72 H56 Dy2 N24 O15'
_chemical_formula_weight         1822.41
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                106.16(3)
_cell_angle_beta                 102.66(3)
_cell_angle_gamma                99.98(3)
_cell_formula_units_Z            1
_cell_length_a                   11.824(2)
_cell_length_b                   13.307(3)
_cell_length_c                   13.760(3)
_cell_measurement_reflns_used    16699
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      55.04
_cell_measurement_theta_min      6.18
_cell_volume                     1964.5(9)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku Corporation, 1998)'
_computing_data_reduction
'CrystalStructure (Rigaku/MSC and Rigaku Corporation, 2002)'
_computing_molecular_graphics    'XP (Sheldrick, 1993)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'ω scan'
_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  0.0324
_diffrn_reflns_av_sigmaI/netI    0.0428
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            19121
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.09
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.966
_exptl_absorpt_correction_T_max  0.8143
_exptl_absorpt_correction_T_min  0.5182
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.540
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             908
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.464
_refine_diff_density_min         -1.196
_refine_diff_density_rms         0.149
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     558
_refine_ls_number_reflns         8872
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0527
_refine_ls_R_factor_gt           0.0436
_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)+(0.0669P)²+3.7456P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1200
_refine_ls_wR_factor_ref         0.1255
_reflns_number_gt                7679
_reflns_number_total             8872
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b909213g.txt
_cod_data_source_block           zjw-4
_cod_depositor_comments
;
The following automatic conversions were performed:
'_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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1964.5(7)
_cod_database_code               7002892
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.5224(4) 0.7981(4) 0.8753(3) 0.0281(9) Uani 1 1 d . . .
C2 C 0.4281(4) 0.8415(4) 0.8372(3) 0.0291(9) Uani 1 1 d . . .
C3 C 0.3780(4) 0.9004(4) 0.9121(4) 0.0315(10) Uani 1 1 d . . .
C4 C 0.3834(4) 0.8267(4) 0.7283(3) 0.0270(9) Uani 1 1 d . . .
C5 C 0.2943(4) 0.8776(4) 0.6906(3) 0.0293(9) Uani 1 1 d . . .
C6 C 0.2554(4) 0.8644(4) 0.5856(4) 0.0295(9) Uani 1 1 d . . .
C7 C 0.2990(4) 0.7978(4) 0.5100(4) 0.0297(9) Uani 1 1 d . . .
C8 C 0.3869(5) 0.7471(4) 0.5481(4) 0.0328(10) Uani 1 1 d . . .
C9 C 0.4277(4) 0.7616(4) 0.6530(4) 0.0300(9) Uani 1 1 d . . .
C10 C 0.2586(5) 0.7833(4) 0.4017(4) 0.0340(10) Uani 1 1 d . . .
C11 C 0.1730(5) 0.8344(5) 0.3620(4) 0.0429(12) Uani 1 1 d . . .
C12 C 0.2975(5) 0.7120(5) 0.3250(4) 0.0392(11) Uani 1 1 d . . .
C13 C 0.9408(4) 0.5337(4) 0.8503(3) 0.0298(9) Uani 1 1 d . . .
C14 C 0.9890(4) 0.4592(4) 0.7897(3) 0.0264(9) Uani 1 1 d . . .
C15 C 1.0693(5) 0.4128(4) 0.8438(3) 0.0318(10) Uani 1 1 d . . .
C16 C 0.9575(4) 0.4323(4) 0.6773(3) 0.0243(8) Uani 1 1 d . . .
C17 C 0.8698(4) 0.4757(4) 0.6256(3) 0.0267(9) Uani 1 1 d . . .
C18 C 0.8395(4) 0.4518(4) 0.5179(3) 0.0269(9) Uani 1 1 d . . .
C19 C 0.8932(4) 0.3836(4) 0.4553(3) 0.0267(9) Uani 1 1 d . . .
C20 C 0.9797(4) 0.3391(4) 0.5071(4) 0.0290(9) Uani 1 1 d . . .
C21 C 1.0100(4) 0.3626(4) 0.6139(3) 0.0283(9) Uani 1 1 d . . .
C22 C 0.8628(4) 0.3593(4) 0.3447(3) 0.0309(10) Uani 1 1 d . . .
C23 C 0.7770(5) 0.4022(4) 0.2910(4) 0.0357(11) Uani 1 1 d . . .
C24 C 0.9207(5) 0.2957(4) 0.2806(4) 0.0326(10) Uani 1 1 d . . .
C25 C 0.5910(5) 0.5723(4) 0.5851(4) 0.0393(12) Uani 1 1 d . . .
H9 H 0.6523 0.6206 0.6423 0.047 Uiso 1 1 calc R . .
C26 C 0.5830(5) 0.5804(4) 0.4826(4) 0.0385(11) Uani 1 1 d . . .
C27 C 0.4875(5) 0.5034(5) 0.3984(4) 0.0406(12) Uani 1 1 d . . .
C28 C 0.6592(6) 0.6722(5) 0.3677(5) 0.0524(15) Uani 1 1 d . . .
C29 C 0.6635(5) 0.6610(5) 0.4667(4) 0.0441(13) Uani 1 1 d . . .
C30 C 0.7572(6) 0.7405(5) 0.5507(5) 0.0495(14) Uani 1 1 d . . .
C31 C 0.5857(5) -0.0492(4) 0.5379(4) 0.0314(10) Uani 1 1 d . . .
C32 C 0.5382(4) 0.0173(4) 0.6099(4) 0.0297(9) Uani 1 1 d . . .
C33 C 0.4502(5) 0.0654(4) 0.5671(4) 0.0332(10) Uani 1 1 d . . .
C34 C 0.6586(5) -0.0197(4) 0.7608(4) 0.0386(11) Uani 1 1 d . . .
C35 C 0.5734(5) 0.0313(4) 0.7184(4) 0.0328(10) Uani 1 1 d . . .
C36 C 0.5217(5) 0.0934(4) 0.7902(4) 0.0362(11) Uani 1 1 d . . .
Dy1 Dy 0.78976(2) 0.719234(19) 0.986144(15) 0.03155(9) Uani 1 1 d . . .
H1 H 0.255(5) 0.915(5) 0.742(5) 0.040(15) Uiso 1 1 d . . .
H2 H 0.213(5) 0.902(5) 0.559(4) 0.038(15) Uiso 1 1 d . . .
H3 H 0.415(5) 0.705(4) 0.500(4) 0.027(13) Uiso 1 1 d . . .
H4 H 0.495(6) 0.730(5) 0.674(5) 0.059(19) Uiso 1 1 d . . .
H5 H 0.833(4) 0.517(4) 0.667(4) 0.022(12) Uiso 1 1 d . . .
H6 H 0.788(6) 0.489(6) 0.479(6) 0.06(2) Uiso 1 1 d . . .
H7 H 1.011(5) 0.294(4) 0.467(4) 0.027(13) Uiso 1 1 d . . .
H8 H 1.075(5) 0.336(5) 0.642(5) 0.042(16) Uiso 1 1 d . . .
H10 H 0.483(5) 0.513(4) 0.332(5) 0.036(14) Uiso 1 1 d . . .
H11 H 0.633(6) -0.081(5) 0.564(5) 0.049(17) Uiso 1 1 d . . .
H12 H 0.421(5) 0.099(4) 0.609(4) 0.028(13) Uiso 1 1 d . . .
N1 N 0.5995(4) 0.7629(4) 0.9050(3) 0.0377(10) Uani 1 1 d . . .
N2 N 0.3344(5) 0.9469(5) 0.9698(4) 0.0535(13) Uani 1 1 d . . .
N3 N 0.1024(6) 0.8761(5) 0.3315(5) 0.0721(18) Uani 1 1 d . . .
N4 N 0.3279(6) 0.6558(5) 0.2624(4) 0.0594(14) Uani 1 1 d . . .
N5 N 0.7070(5) 0.4345(5) 0.2460(4) 0.0601(14) Uani 1 1 d . . .
N6 N 0.9682(5) 0.2466(4) 0.2284(4) 0.0504(12) Uani 1 1 d . . .
N7 N 0.8991(4) 0.5950(4) 0.8988(3) 0.0403(10) Uani 1 1 d . . .
N8 N 1.1329(5) 0.3762(4) 0.8914(3) 0.0442(11) Uani 1 1 d . . .
N9 N 0.6600(8) 0.6831(6) 0.2883(5) 0.090(2) Uani 1 1 d . . .
N10 N 0.8323(5) 0.8061(5) 0.6178(5) 0.0628(15) Uani 1 1 d . . .
N11 N 0.7256(6) -0.0616(5) 0.7937(4) 0.0605(15) Uani 1 1 d . . .
N12 N 0.4776(5) 0.1424(5) 0.8460(4) 0.0575(14) Uani 1 1 d . . .
O1 O 0.6555(4) 0.5514(4) 0.8896(4) 0.0578(11) Uani 1 1 d . . .
H14 H 0.6598 0.5038 0.8364 0.069 Uiso 1 1 d R . .
H13 H 0.6084 0.5330 0.9043 0.069 Uiso 1 1 d R . .
O2 O 0.8188(4) 0.7687(4) 0.8411(3) 0.0505(10) Uani 1 1 d . . .
H16 H 0.8729 0.7605 0.8105 0.061 Uiso 1 1 d R . .
H15 H 0.7905 0.8226 0.8215 0.061 Uiso 1 1 d R . .
O3 O 0.9923(4) 0.8097(4) 1.0629(4) 0.0679(13) Uani 1 1 d . . .
H18 H 1.0539 0.8322 1.1148 0.082 Uiso 1 1 d R . .
H17 H 1.0344 0.8179 1.0300 0.082 Uiso 1 1 d R . .
O4 O 0.6738(6) 0.7230(6) 1.1018(4) 0.089(2) Uani 1 1 d . . .
H19 H 0.6123 0.6439 1.0697 0.107 Uiso 1 1 d R . .
H20 H 0.6305 0.7577 1.1244 0.107 Uiso 1 1 d R . .
O5 O 0.8107(5) 0.9068(4) 1.0607(4) 0.0791(17) Uani 1 1 d . . .
H21 H 0.7738 0.9526 1.0486 0.095 Uiso 1 1 d R . .
H22 H 0.8788 0.9231 1.0506 0.095 Uiso 1 1 d R . .
O6 O 0.5598(6) 0.4710(7) 0.0822(6) 0.121(3) Uani 1 1 d . . .
H24 H 0.6041 0.4692 0.1383 0.145 Uiso 1 1 d R . .
H23 H 0.6099 0.5431 0.0815 0.145 Uiso 1 1 d R . .
O7 O 0.9596(7) 0.0067(5) 0.2502(6) 0.054(3) Uani 0.50 1 d P . .
H25 H 0.9650 0.0736 0.2622 0.064 Uiso 1 1 d R . .
H26 H 1.0166 0.0004 0.2945 0.064 Uiso 1 1 d R . .
O8 O 0.2024(8) 0.7435(15) 0.0438(9) 0.277(10) Uani 1 1 d . . .
H27 H 0.1888 0.6821 -0.0027 0.333 Uiso 1 1 d R . .
H28 H 0.2778 0.7697 0.0657 0.333 Uiso 1 1 d R . .
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
_geom_angle_publ_flag
N1 C1 C2 179.1(5) . . ?
C1 C2 C3 117.3(4) . . ?
C1 C2 C4 122.0(4) . . ?
C3 C2 C4 120.7(4) . . ?
N2 C3 C2 177.8(5) . . ?
C9 C4 C2 120.6(4) . . ?
C9 C4 C5 117.5(4) . . ?
C2 C4 C5 122.0(4) . . ?
C6 C5 C4 120.7(4) . . ?
C6 C5 H1 121(3) . . ?
C4 C5 H1 117(3) . . ?
C5 C6 C7 121.6(4) . . ?
C5 C6 H2 126(4) . . ?
C7 C6 H2 112(4) . . ?
C10 C7 C8 120.9(4) . . ?
C10 C7 C6 121.9(4) . . ?
C8 C7 C6 117.2(4) . . ?
C9 C8 C7 121.3(4) . . ?
C9 C8 H3 122(3) . . ?
C7 C8 H3 117(3) . . ?
C8 C9 C4 121.6(4) . . ?
C8 C9 H4 116(4) . . ?
C4 C9 H4 122(4) . . ?
C7 C10 C11 122.1(5) . . ?
C7 C10 C12 122.0(5) . . ?
C11 C10 C12 115.9(4) . . ?
N3 C11 C10 178.6(7) . . ?
N4 C12 C10 178.8(6) . . ?
N7 C13 C14 178.6(5) . . ?
C13 C14 C15 117.2(4) . . ?
C13 C14 C16 120.6(4) . . ?
C15 C14 C16 122.2(4) . . ?
N8 C15 C14 177.2(5) . . ?
C21 C16 C17 117.6(4) . . ?
C21 C16 C14 122.3(4) . . ?
C17 C16 C14 120.0(4) . . ?
C18 C17 C16 120.8(4) . . ?
C18 C17 H5 123(3) . . ?
C16 C17 H5 116(3) . . ?
C17 C18 C19 121.3(4) . . ?
C17 C18 H6 124(4) . . ?
C19 C18 H6 115(4) . . ?
C18 C19 C22 121.5(4) . . ?
C18 C19 C20 117.7(4) . . ?
C22 C19 C20 120.8(4) . . ?
C21 C20 C19 121.1(4) . . ?
C21 C20 H7 121(3) . . ?
C19 C20 H7 117(3) . . ?
C20 C21 C16 121.3(4) . . ?
C20 C21 H8 115(4) . . ?
C16 C21 H8 124(4) . . ?
C19 C22 C23 122.0(4) . . ?
C19 C22 C24 122.4(4) . . ?
C23 C22 C24 115.4(4) . . ?
N5 C23 C22 178.4(6) . . ?
N6 C24 C22 178.4(6) . . ?
C27 C25 C26 122.1(5) 2_666 . ?
C27 C25 H9 118.9 2_666 . ?
C26 C25 H9 118.9 . . ?
C29 C26 C27 122.3(5) . . ?
C29 C26 C25 121.6(5) . . ?
C27 C26 C25 116.0(5) . . ?
C25 C27 C26 121.9(5) 2_666 . ?
C25 C27 H10 124(3) 2_666 . ?
C26 C27 H10 114(4) . . ?
N9 C28 C29 177.5(9) . . ?
C28 C29 C26 123.7(6) . . ?
C28 C29 C30 113.4(6) . . ?
C26 C29 C30 122.9(5) . . ?
N10 C30 C29 178.8(7) . . ?
C33 C31 C32 121.7(4) 2_656 . ?
C33 C31 H11 123(4) 2_656 . ?
C32 C31 H11 115(4) . . ?
C35 C32 C31 121.4(4) . . ?
C35 C32 C33 121.5(4) . . ?
C31 C32 C33 117.0(4) . . ?
C31 C33 C32 121.3(4) 2_656 . ?
C31 C33 H12 123(4) 2_656 . ?
C32 C33 H12 115(4) . . ?
N11 C34 C35 179.1(7) . . ?
C32 C35 C34 121.6(4) . . ?
C32 C35 C36 121.7(4) . . ?
C34 C35 C36 116.6(4) . . ?
N12 C36 C35 178.3(6) . . ?
O4 Dy1 O1 83.7(2) . . ?
O4 Dy1 O3 115.6(2) . . ?
O1 Dy1 O3 144.70(17) . . ?
O4 Dy1 O2 145.07(15) . . ?
O1 Dy1 O2 96.71(17) . . ?
O3 Dy1 O2 83.67(18) . . ?
O4 Dy1 O5 78.3(2) . . ?
O1 Dy1 O5 145.50(17) . . ?
O3 Dy1 O5 69.72(18) . . ?
O2 Dy1 O5 82.41(19) . . ?
O4 Dy1 N7 137.54(18) . . ?
O1 Dy1 N7 71.10(16) . . ?
O3 Dy1 N7 75.32(17) . . ?
O2 Dy1 N7 73.36(14) . . ?
O5 Dy1 N7 139.2(2) . . ?
O4 Dy1 N8 72.01(15) . 2_767 ?
O1 Dy1 N8 84.28(17) . 2_767 ?
O3 Dy1 N8 75.21(19) . 2_767 ?
O2 Dy1 N8 142.90(14) . 2_767 ?
O5 Dy1 N8 116.84(18) . 2_767 ?
N7 Dy1 N8 71.97(14) . 2_767 ?
O4 Dy1 N1 73.01(16) . . ?
O1 Dy1 N1 75.01(16) . . ?
O3 Dy1 N1 137.16(17) . . ?
O2 Dy1 N1 73.41(14) . . ?
O5 Dy1 N1 71.71(16) . . ?
N7 Dy1 N1 128.50(14) . . ?
N8 Dy1 N1 140.89(16) 2_767 . ?
O4 Dy1 H22 95.6 . . ?
O1 Dy1 H22 159.3 . . ?
O3 Dy1 H22 53.3 . . ?
O2 Dy1 H22 72.1 . . ?
O5 Dy1 H22 19.4 . . ?
N7 Dy1 H22 119.8 . . ?
N8 Dy1 H22 115.2 2_767 . ?
N1 Dy1 H22 85.0 . . ?
C1 N1 Dy1 170.0(4) . . ?
C13 N7 Dy1 173.8(4) . . ?
C15 N8 Dy1 160.8(4) . 2_767 ?
Dy1 O1 H14 128.4 . . ?
Dy1 O1 H13 122.0 . . ?
H14 O1 H13 109.5 . . ?
Dy1 O2 H16 129.1 . . ?
Dy1 O2 H15 124.1 . . ?
H16 O2 H15 103.5 . . ?
Dy1 O3 H18 150.4 . . ?
Dy1 O3 H17 122.0 . . ?
H18 O3 H17 86.1 . . ?
Dy1 O4 H19 103.7 . . ?
Dy1 O4 H20 138.9 . . ?
H19 O4 H20 99.2 . . ?
Dy1 O5 H21 137.0 . . ?
Dy1 O5 H22 92.9 . . ?
H21 O5 H22 107.5 . . ?
H24 O6 H23 97.2 . . ?
H25 O7 H26 107.5 . . ?
H27 O8 H28 107.7 . . ?
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
C1 N1 1.144(6) . ?
C1 C2 1.410(6) . ?
C2 C3 1.417(6) . ?
C2 C4 1.420(6) . ?
C3 N2 1.138(7) . ?
C4 C9 1.411(6) . ?
C4 C5 1.428(6) . ?
C5 C6 1.367(6) . ?
C5 H1 0.99(6) . ?
C6 C7 1.419(6) . ?
C6 H2 0.86(6) . ?
C7 C10 1.408(6) . ?
C7 C8 1.418(6) . ?
C8 C9 1.365(6) . ?
C8 H3 0.91(5) . ?
C9 H4 0.98(7) . ?
C10 C11 1.411(7) . ?
C10 C12 1.425(7) . ?
C11 N3 1.148(8) . ?
C12 N4 1.141(7) . ?
C13 N7 1.155(6) . ?
C13 C14 1.396(6) . ?
C14 C15 1.409(6) . ?
C14 C16 1.432(6) . ?
C15 N8 1.149(6) . ?
C16 C21 1.411(6) . ?
C16 C17 1.424(6) . ?
C17 C18 1.376(6) . ?
C17 H5 0.91(5) . ?
C18 C19 1.404(6) . ?
C18 H6 1.01(7) . ?
C19 C22 1.413(6) . ?
C19 C20 1.424(6) . ?
C20 C21 1.365(6) . ?
C20 H7 0.88(5) . ?
C21 H8 0.96(6) . ?
C22 C23 1.417(7) . ?
C22 C24 1.419(7) . ?
C23 N5 1.140(7) . ?
C24 N6 1.140(7) . ?
C25 C27 1.351(8) 2_666 ?
C25 C26 1.428(7) . ?
C25 H9 0.9300 . ?
C26 C29 1.404(8) . ?
C26 C27 1.426(8) . ?
C27 C25 1.351(8) 2_666 ?
C27 H10 0.94(6) . ?
C28 N9 1.143(9) . ?
C28 C29 1.403(8) . ?
C29 C30 1.426(9) . ?
C30 N10 1.152(9) . ?
C31 C33 1.357(7) 2_656 ?
C31 C32 1.417(6) . ?
C31 H11 0.83(7) . ?
C32 C35 1.408(6) . ?
C32 C33 1.418(6) . ?
C33 C31 1.357(7) 2_656 ?
C33 H12 0.80(6) . ?
C34 N11 1.130(7) . ?
C34 C35 1.420(7) . ?
C35 C36 1.421(7) . ?
C36 N12 1.140(7) . ?
Dy1 O4 2.313(5) . ?
Dy1 O1 2.339(5) . ?
Dy1 O3 2.342(5) . ?
Dy1 O2 2.343(4) . ?
Dy1 O5 2.365(5) . ?
Dy1 N7 2.483(4) . ?
Dy1 N8 2.491(4) 2_767 ?
Dy1 N1 2.521(4) . ?
Dy1 H22 2.5527 . ?
N8 Dy1 2.491(4) 2_767 ?
O1 H14 0.8420 . ?
O1 H13 0.6633 . ?
O2 H16 0.8450 . ?
O2 H15 0.9225 . ?
O3 H18 0.8413 . ?
O3 H17 0.7563 . ?
O4 H19 1.0806 . ?
O4 H20 0.8012 . ?
O5 H21 0.8408 . ?
O5 H22 0.8494 . ?
O6 H24 0.8418 . ?
O6 H23 1.0402 . ?
O7 H25 0.8465 . ?
O7 H26 0.8370 . ?
O8 H27 0.8500 . ?
O8 H28 0.8499 . ?
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
O1 H14 N4 0.84 2.23 3.029(7) 158.7 2_666
O1 H13 O6 0.66 2.03 2.637(9) 152.5 2_666
O2 H16 N6 0.85 2.07 2.903(7) 166.5 2_766
O2 H15 N11 0.92 1.93 2.848(6) 174.0 1_565
O3 H17 O8 0.76 2.36 2.816(16) 119.8 1_656
O4 H19 O6 1.08 2.34 3.303(11) 147.4 1_556
O4 H19 O6 1.08 2.47 3.395(11) 142.4 2_666
O4 H20 N12 0.80 2.02 2.808(7) 167.0 2_667
O5 H21 N2 0.84 2.03 2.865(7) 170.8 2_677
O6 H24 N5 0.84 1.92 2.743(8) 167.1 .
O6 H23 O4 1.04 2.30 3.303(11) 161.4 1_554
O7 H25 N6 0.85 2.47 3.275(8) 159.5 .
O7 H25 N10 0.85 2.55 2.993(9) 113.9 2_766
O7 H26 N3 0.84 2.20 2.897(8) 140.5 1_645
