#------------------------------------------------------------------------------
#$Date: 2019-09-23 12:48:42 +0300 (Mon, 23 Sep 2019) $
#$Revision: 218742 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/09/4340974.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_4340974
loop_
_publ_author_name
'Zhao, Fang-Hua'
'Li, Hui'
'Che, Yun-Xia'
'Zheng, Ji-Min'
'Vieru, Veacheslav'
'Chibotaru, Liviu F.'
'Grandjean, Fernande'
'Long, Gary J.'
_publ_section_title
;
 Synthesis, structure, and magnetic properties of Dy₂Co₂L₁₀(bipy)₂
 and Ln₂Ni₂L₁₀(bipy)₂, Ln = La, Gd, Tb, Dy, and Ho: slow magnetic
 relaxation in Dy₂Co₂L₁₀(bipy)₂ and Dy₂Ni₂L₁₀(bipy)₂
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   18
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9785
_journal_page_last               9799
_journal_paper_doi               10.1021/ic501374q
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C90 H46 Cl20 Dy2 N4 Ni2 O20'
_chemical_formula_weight         2654.73
_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                 130.946(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.429(4)
_cell_length_b                   13.013(3)
_cell_length_c                   27.080(8)
_cell_measurement_reflns_used    22005
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      27.465
_cell_measurement_theta_min      3.025
_cell_volume                     4905(3)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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      153(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω 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  0.0820
_diffrn_reflns_av_sigmaI/netI    0.0716
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            44184
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    2.499
_exptl_absorpt_correction_T_max  0.6348
_exptl_absorpt_correction_T_min  0.6348
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.797
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2604
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.728
_refine_diff_density_min         -0.707
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     622
_refine_ls_number_reflns         11025
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0821
_refine_ls_R_factor_gt           0.0447
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0161P)²+11.9276P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0720
_refine_ls_wR_factor_ref         0.0889
_reflns_number_gt                7616
_reflns_number_total             11025
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic501374q_si_001.cif
_cod_data_source_block           5Dy2Ni2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/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 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4340970--4340975.cif.
;
_cod_original_cell_volume        4905(2)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4340974
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 0.8882(3) 0.9721(4) 0.4272(2) 0.0394(12) Uani 1 1 d .
H1 H 0.8565 1.0366 0.4151 0.047 Uiso 1 1 calc R
C2 C 0.9511(4) 0.9559(5) 0.4168(3) 0.0516(15) Uani 1 1 d .
H2 H 0.9629 1.0078 0.3982 0.062 Uiso 1 1 calc R
C3 C 0.9956(5) 0.8633(6) 0.4341(4) 0.070(2) Uani 1 1 d .
H3 H 1.0405 0.8497 0.4285 0.084 Uiso 1 1 calc R
C4 C 0.9752(5) 0.7886(5) 0.4600(4) 0.069(2) Uani 1 1 d .
H4 H 1.0062 0.7237 0.4722 0.083 Uiso 1 1 calc R
C5 C 0.9098(4) 0.8081(4) 0.4683(3) 0.0413(13) Uani 1 1 d .
C6 C 0.8797(4) 0.7338(4) 0.4930(3) 0.0448(14) Uani 1 1 d .
C7 C 0.9112(5) 0.6334(5) 0.5083(3) 0.0633(18) Uani 1 1 d .
H7 H 0.9565 0.6095 0.5049 0.076 Uiso 1 1 calc R
C8 C 0.8770(5) 0.5687(5) 0.5283(4) 0.075(2) Uani 1 1 d .
H8 H 0.8991 0.4997 0.5394 0.089 Uiso 1 1 calc R
C9 C 0.8109(5) 0.6024(5) 0.5325(3) 0.0639(18) Uani 1 1 d .
H9 H 0.7850 0.5576 0.5453 0.077 Uiso 1 1 calc R
C10 C 0.7832(5) 0.7051(4) 0.5173(3) 0.0569(16) Uani 1 1 d .
H10 H 0.7387 0.7306 0.5211 0.068 Uiso 1 1 calc R
C11 C 0.5977(4) 0.8383(4) 0.3683(3) 0.0369(12) Uani 1 1 d .
C12 C 0.5346(3) 0.7610(4) 0.3161(2) 0.0348(12) Uani 1 1 d .
C13 C 0.5711(4) 0.7013(4) 0.2944(3) 0.0397(12) Uani 1 1 d .
H13 H 0.6341 0.7137 0.3104 0.048 Uiso 1 1 calc R
C14 C 0.5161(4) 0.6238(4) 0.2496(3) 0.0440(13) Uani 1 1 d .
C15 C 0.4234(4) 0.6065(4) 0.2236(3) 0.0451(14) Uani 1 1 d .
H15 H 0.3853 0.5537 0.1924 0.054 Uiso 1 1 calc R
C16 C 0.3875(4) 0.6690(4) 0.2448(3) 0.0410(13) Uani 1 1 d .
C17 C 0.4422(4) 0.7430(4) 0.2916(3) 0.0404(12) Uani 1 1 d .
H17 H 0.4169 0.7817 0.3071 0.048 Uiso 1 1 calc R
C18 C 0.8201(3) 0.9534(3) 0.5799(3) 0.0348(12) Uani 1 1 d .
C19 C 0.8669(3) 0.9675(4) 0.6497(2) 0.0377(12) Uani 1 1 d .
C20 C 0.9514(3) 1.0247(4) 0.6892(3) 0.0441(13) Uani 1 1 d .
H20 H 0.9792 1.0508 0.6721 0.053 Uiso 1 1 calc R
C21 C 0.9940(4) 1.0430(4) 0.7531(3) 0.0480(14) Uani 1 1 d .
C22 C 0.9574(4) 1.0033(4) 0.7797(3) 0.0534(16) Uani 1 1 d .
H22 H 0.9881 1.0163 0.8241 0.064 Uiso 1 1 calc R
C23 C 0.8756(5) 0.9446(5) 0.7411(3) 0.0547(16) Uani 1 1 d .
C24 C 0.8285(4) 0.9278(4) 0.6759(3) 0.0469(14) Uani 1 1 d .
H24 H 0.7705 0.8894 0.6493 0.056 Uiso 1 1 calc R
C25 C 0.3611(3) 0.8953(4) 0.3972(3) 0.0362(12) Uani 1 1 d .
C26 C 0.2723(3) 0.8305(4) 0.3616(3) 0.0345(12) Uani 1 1 d .
C27 C 0.2192(3) 0.8075(4) 0.2962(3) 0.0418(13) Uani 1 1 d .
H27 H 0.2392 0.8313 0.2736 0.050 Uiso 1 1 calc R
C28 C 0.1373(4) 0.7497(4) 0.2646(3) 0.0457(14) Uani 1 1 d .
C29 C 0.1080(4) 0.7117(4) 0.2964(3) 0.0500(15) Uani 1 1 d .
H29 H 0.0526 0.6694 0.2744 0.060 Uiso 1 1 calc R
C30 C 0.1619(4) 0.7371(4) 0.3616(3) 0.0445(14) Uani 1 1 d .
C31 C 0.2435(3) 0.7966(4) 0.3948(3) 0.0380(12) Uani 1 1 d .
H31 H 0.2791 0.8140 0.4394 0.046 Uiso 1 1 calc R
C32 C 0.4298(3) 1.1779(4) 0.4382(3) 0.0348(12) Uani 1 1 d .
C33 C 0.3905(3) 1.2757(4) 0.4007(3) 0.0383(12) Uani 1 1 d .
C34 C 0.3822(4) 1.3621(4) 0.4269(3) 0.0482(14) Uani 1 1 d .
H34 H 0.4020 1.3604 0.4693 0.058 Uiso 1 1 calc R
C35 C 0.3445(4) 1.4501(4) 0.3897(3) 0.0532(16) Uani 1 1 d .
C36 C 0.3146(4) 1.4569(5) 0.3286(3) 0.0601(17) Uani 1 1 d .
H36 H 0.2887 1.5189 0.3041 0.072 Uiso 1 1 calc R
C37 C 0.3235(5) 1.3703(5) 0.3036(3) 0.0598(17) Uani 1 1 d .
C38 C 0.3636(4) 1.2806(4) 0.3392(3) 0.0459(14) Uani 1 1 d .
H38 H 0.3726 1.2232 0.3221 0.055 Uiso 1 1 calc R
C39 C 0.6916(3) 1.1269(4) 0.4378(2) 0.0348(12) Uani 1 1 d .
C40 C 0.6891(3) 1.2390(4) 0.4226(2) 0.0355(12) Uani 1 1 d .
C41 C 0.6267(4) 1.3063(4) 0.4174(3) 0.0435(13) Uani 1 1 d .
H41 H 0.5848 1.2834 0.4241 0.052 Uiso 1 1 calc R
C42 C 0.6263(4) 1.4067(4) 0.4023(3) 0.0501(15) Uani 1 1 d .
C43 C 0.6856(4) 1.4415(4) 0.3914(3) 0.0513(15) Uani 1 1 d .
H43 H 0.6840 1.5113 0.3804 0.062 Uiso 1 1 calc R
C44 C 0.7461(4) 1.3732(4) 0.3969(3) 0.0465(14) Uani 1 1 d .
C45 C 0.7514(4) 1.2711(4) 0.4129(3) 0.0422(13) Uani 1 1 d .
H45 H 0.7951 1.2249 0.4171 0.051 Uiso 1 1 calc R
Cl1 Cl 0.56497(12) 0.54727(12) 0.22434(9) 0.0682(5) Uani 1 1 d .
Cl2 Cl 0.26929(10) 0.65237(12) 0.21116(8) 0.0562(4) Uani 1 1 d .
Cl3 Cl 1.09784(12) 1.11864(17) 0.80085(9) 0.0867(6) Uani 1 1 d .
Cl4 Cl 0.82992(18) 0.8964(2) 0.77477(11) 0.1125(8) Uani 1 1 d .
Cl5 Cl 0.12604(13) 0.69086(13) 0.40323(10) 0.0729(5) Uani 1 1 d .
Cl6 Cl 0.06552(11) 0.72444(16) 0.18119(8) 0.0777(5) Uani 1 1 d .
Cl7 Cl 0.33798(17) 1.56047(13) 0.42348(11) 0.0966(7) Uani 1 1 d .
Cl8 Cl 0.2911(2) 1.37417(16) 0.22701(10) 0.1120(8) Uani 1 1 d .
Cl9 Cl 0.55031(13) 1.49503(13) 0.39679(11) 0.0821(6) Uani 1 1 d .
Cl10 Cl 0.82238(14) 1.41687(14) 0.38361(11) 0.0833(6) Uani 1 1 d .
Dy1 Dy 0.561122(16) 0.973795(17) 0.460609(11) 0.02827(7) Uani 1 1 d .
N1 N 0.8694(3) 0.9020(3) 0.4535(2) 0.0345(10) Uani 1 1 d .
N2 N 0.8162(3) 0.7694(3) 0.4976(2) 0.0428(11) Uani 1 1 d .
Ni1 Ni 0.77679(4) 0.92125(5) 0.46919(3) 0.03419(16) Uani 1 1 d U
O1 O 0.6705(2) 0.8679(3) 0.37838(18) 0.0428(9) Uani 1 1 d .
O2 O 0.5737(2) 0.8695(3) 0.39990(17) 0.0417(9) Uani 1 1 d .
O3 O 0.8715(2) 0.9654(3) 0.56490(17) 0.0468(9) Uani 1 1 d .
O4 O 0.7333(2) 0.9271(3) 0.53746(17) 0.0413(8) Uani 1 1 d U
O5 O 0.4043(2) 0.9025(3) 0.37637(17) 0.0421(9) Uani 1 1 d .
O6 O 0.3905(2) 0.9408(3) 0.44893(18) 0.0433(9) Uani 1 1 d .
O7 O 0.4294(2) 1.1656(2) 0.48390(18) 0.0385(8) Uani 1 1 d .
O8 O 0.4596(2) 1.1133(3) 0.42027(17) 0.0416(9) Uani 1 1 d .
O9 O 0.6350(3) 1.0989(3) 0.44658(19) 0.0464(10) Uani 1 1 d .
O10 O 0.7496(2) 1.0696(3) 0.44184(18) 0.0417(9) 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'
Ni Ni 0.3393 1.1124 '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'
Cl Cl 0.1484 0.1585 '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
N1 C1 C2 123.5(5) . .
N1 C1 H1 118.3 . .
C2 C1 H1 118.3 . .
C3 C2 C1 117.7(6) . .
C3 C2 H2 121.2 . .
C1 C2 H2 121.2 . .
C2 C3 C4 119.6(6) . .
C2 C3 H3 120.2 . .
C4 C3 H3 120.2 . .
C5 C4 C3 120.4(6) . .
C5 C4 H4 119.8 . .
C3 C4 H4 119.8 . .
N1 C5 C4 119.0(5) . .
N1 C5 C6 115.6(4) . .
C4 C5 C6 125.3(5) . .
N2 C6 C7 121.4(5) . .
N2 C6 C5 115.3(4) . .
C7 C6 C5 123.3(5) . .
C8 C7 C6 119.6(6) . .
C8 C7 H7 120.2 . .
C6 C7 H7 120.2 . .
C7 C8 C9 120.4(6) . .
C7 C8 H8 119.8 . .
C9 C8 H8 119.8 . .
C8 C9 C10 117.1(6) . .
C8 C9 H9 121.4 . .
C10 C9 H9 121.4 . .
N2 C10 C9 123.0(6) . .
N2 C10 H10 118.5 . .
C9 C10 H10 118.5 . .
O1 C11 O2 124.0(5) . .
O1 C11 C12 118.6(5) . .
O2 C11 C12 117.4(4) . .
C17 C12 C13 119.3(5) . .
C17 C12 C11 121.4(5) . .
C13 C12 C11 119.2(4) . .
C14 C13 C12 120.1(5) . .
C14 C13 H13 119.9 . .
C12 C13 H13 119.9 . .
C15 C14 C13 121.3(5) . .
C15 C14 Cl1 119.4(4) . .
C13 C14 Cl1 119.2(4) . .
C14 C15 C16 117.5(5) . .
C14 C15 H15 121.2 . .
C16 C15 H15 121.2 . .
C17 C16 C15 122.3(5) . .
C17 C16 Cl2 118.8(4) . .
C15 C16 Cl2 119.0(4) . .
C16 C17 C12 119.4(5) . .
C16 C17 H17 120.3 . .
C12 C17 H17 120.3 . .
O4 C18 O3 120.8(5) . .
O4 C18 C19 121.7(5) . .
O3 C18 C19 117.5(4) . .
C24 C19 C20 119.7(5) . .
C24 C19 C18 122.5(5) . .
C20 C19 C18 117.8(5) . .
C21 C20 C19 119.2(5) . .
C21 C20 H20 120.4 . .
C19 C20 H20 120.4 . .
C22 C21 C20 121.7(5) . .
C22 C21 Cl3 120.0(5) . .
C20 C21 Cl3 118.3(5) . .
C21 C22 C23 118.9(6) . .
C21 C22 H22 120.6 . .
C23 C22 H22 120.6 . .
C22 C23 C24 121.2(6) . .
C22 C23 Cl4 118.4(5) . .
C24 C23 Cl4 120.4(5) . .
C23 C24 C19 119.3(5) . .
C23 C24 H24 120.3 . .
C19 C24 H24 120.3 . .
O5 C25 O6 121.9(5) . .
O5 C25 C26 120.1(5) . .
O6 C25 C26 118.0(5) . .
C31 C26 C27 120.9(5) . .
C31 C26 C25 118.8(5) . .
C27 C26 C25 120.2(5) . .
C28 C27 C26 118.9(5) . .
C28 C27 H27 120.5 . .
C26 C27 H27 120.5 . .
C27 C28 C29 121.9(5) . .
C27 C28 Cl6 120.1(5) . .
C29 C28 Cl6 117.9(4) . .
C28 C29 C30 117.8(5) . .
C28 C29 H29 121.1 . .
C30 C29 H29 121.1 . .
C31 C30 C29 122.1(5) . .
C31 C30 Cl5 119.1(5) . .
C29 C30 Cl5 118.8(4) . .
C30 C31 C26 118.3(5) . .
C30 C31 H31 120.8 . .
C26 C31 H31 120.8 . .
O7 C32 O8 125.5(5) . .
O7 C32 C33 117.9(5) . .
O8 C32 C33 116.5(5) . .
C34 C33 C38 120.1(5) . .
C34 C33 C32 120.7(5) . .
C38 C33 C32 119.2(5) . .
C35 C34 C33 118.1(6) . .
C35 C34 H34 120.9 . .
C33 C34 H34 120.9 . .
C36 C35 C34 123.5(6) . .
C36 C35 Cl7 118.0(4) . .
C34 C35 Cl7 118.5(5) . .
C35 C36 C37 117.3(5) . .
C35 C36 H36 121.3 . .
C37 C36 H36 121.3 . .
C36 C37 C38 122.0(6) . .
C36 C37 Cl8 120.1(5) . .
C38 C37 Cl8 117.7(5) . .
C37 C38 C33 118.8(5) . .
C37 C38 H38 120.6 . .
C33 C38 H38 120.6 . .
O10 C39 O9 125.1(5) . .
O10 C39 C40 118.3(4) . .
O9 C39 C40 116.6(4) . .
C41 C40 C45 121.6(5) . .
C41 C40 C39 121.1(4) . .
C45 C40 C39 117.2(4) . .
C42 C41 C40 118.6(5) . .
C42 C41 H41 120.7 . .
C40 C41 H41 120.7 . .
C41 C42 C43 121.8(5) . .
C41 C42 Cl9 120.2(4) . .
C43 C42 Cl9 118.0(4) . .
C44 C43 C42 118.1(5) . .
C44 C43 H43 121.0 . .
C42 C43 H43 121.0 . .
C43 C44 C45 123.3(5) . .
C43 C44 Cl10 118.5(4) . .
C45 C44 Cl10 118.3(4) . .
C44 C45 C40 116.6(5) . .
C44 C45 H45 121.7 . .
C40 C45 H45 121.7 . .
O2 Dy1 O6 157.45(12) . 3_676
O2 Dy1 O7 90.10(13) . 3_676
O6 Dy1 O7 82.69(13) 3_676 3_676
O2 Dy1 O8 124.57(13) . .
O6 Dy1 O8 75.44(13) 3_676 .
O7 Dy1 O8 128.63(12) 3_676 .
O2 Dy1 O9 87.18(13) . .
O6 Dy1 O9 88.60(13) 3_676 .
O7 Dy1 O9 150.24(12) 3_676 .
O8 Dy1 O9 75.51(12) . .
O2 Dy1 O5 73.19(12) . .
O6 Dy1 O5 126.13(12) 3_676 .
O7 Dy1 O5 81.01(13) 3_676 .
O8 Dy1 O5 75.90(12) . .
O9 Dy1 O5 126.05(13) . .
O2 Dy1 O4 77.14(12) . .
O6 Dy1 O4 80.37(12) 3_676 .
O7 Dy1 O4 75.48(12) 3_676 .
O8 Dy1 O4 142.00(12) . .
O9 Dy1 O4 75.02(12) . .
O5 Dy1 O4 141.79(12) . .
C1 N1 C5 119.6(4) . .
C1 N1 Ni1 125.1(3) . .
C5 N1 Ni1 115.1(3) . .
C10 N2 C6 118.5(5) . .
C10 N2 Ni1 127.3(4) . .
C6 N2 Ni1 114.2(4) . .
O10 Ni1 O1 94.18(15) . .
O10 Ni1 N1 94.72(15) . .
O1 Ni1 N1 88.88(15) . .
O10 Ni1 O3 89.81(15) . .
O1 Ni1 O3 170.45(14) . .
N1 Ni1 O3 99.46(15) . .
O10 Ni1 N2 174.29(16) . .
O1 Ni1 N2 87.06(16) . .
N1 Ni1 N2 79.73(17) . .
O3 Ni1 N2 89.82(17) . .
O10 Ni1 O4 97.02(13) . .
O1 Ni1 O4 113.23(13) . .
N1 Ni1 O4 153.98(14) . .
O3 Ni1 O4 57.57(12) . .
N2 Ni1 O4 87.58(15) . .
C11 O1 Ni1 114.9(3) . .
C11 O2 Dy1 159.6(3) . .
C18 O3 Ni1 100.2(3) . .
C18 O4 Ni1 81.4(3) . .
C18 O4 Dy1 149.7(3) . .
Ni1 O4 Dy1 104.26(13) . .
C25 O5 Dy1 109.1(3) . .
C25 O6 Dy1 177.9(4) . 3_676
C32 O7 Dy1 134.6(3) . 3_676
C32 O8 Dy1 139.9(3) . .
C39 O9 Dy1 151.9(3) . .
C39 O10 Ni1 126.8(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.334(6) .
C1 C2 1.377(7) .
C1 H1 0.9500 .
C2 C3 1.357(8) .
C2 H2 0.9500 .
C3 C4 1.388(9) .
C3 H3 0.9500 .
C4 C5 1.387(15) .
C4 H4 0.9500 .
C5 N1 1.348(6) .
C5 C6 1.474(7) .
C6 N2 1.338(6) .
C6 C7 1.379(7) .
C7 C8 1.357(9) .
C7 H7 0.9500 .
C8 C9 1.368(9) .
C8 H8 0.9500 .
C9 C10 1.394(8) .
C9 H9 0.9500 .
C10 N2 1.334(6) .
C10 H10 0.9500 .
C11 O1 1.242(5) .
C11 O2 1.259(6) .
C11 C12 1.485(7) .
C12 C17 1.384(7) .
C12 C13 1.387(6) .
C13 C14 1.380(7) .
C13 H13 0.9500 .
C14 C15 1.375(7) .
C14 Cl1 1.754(5) .
C15 C16 1.387(7) .
C15 H15 0.9500 .
C16 C17 1.370(7) .
C16 Cl2 1.738(5) .
C17 H17 0.9500 .
C18 O4 1.260(5) .
C18 O3 1.262(6) .
C18 C19 1.488(7) .
C19 C24 1.389(7) .
C19 C20 1.393(7) .
C20 C21 1.374(7) .
C20 H20 0.9500 .
C21 C22 1.371(8) .
C21 Cl3 1.749(6) .
C22 C23 1.373(8) .
C22 H22 0.9500 .
C23 C24 1.381(8) .
C23 Cl4 1.714(6) .
C24 H24 0.9500 .
C25 O5 1.245(6) .
C25 O6 1.268(6) .
C25 C26 1.501(7) .
C26 C31 1.382(7) .
C26 C27 1.382(7) .
C27 C28 1.373(7) .
C27 H27 0.9500 .
C28 C29 1.374(8) .
C28 Cl6 1.744(6) .
C29 C30 1.384(8) .
C29 H29 0.9500 .
C30 C31 1.377(7) .
C30 Cl5 1.746(6) .
C31 H31 0.9500 .
C32 O7 1.252(6) .
C32 O8 1.262(6) .
C32 C33 1.488(7) .
C33 C34 1.390(7) .
C33 C38 1.393(7) .
C34 C35 1.374(7) .
C34 H34 0.9500 .
C35 C36 1.364(8) .
C35 Cl7 1.748(6) .
C36 C37 1.378(8) .
C36 H36 0.9500 .
C37 C38 1.380(7) .
C37 Cl8 1.743(6) .
C38 H38 0.9500 .
C39 O10 1.248(5) .
C39 O9 1.265(5) .
C39 C40 1.508(7) .
C40 C41 1.377(7) .
C40 C45 1.399(6) .
C41 C42 1.367(7) .
C41 H41 0.9500 .
C42 C43 1.381(8) .
C42 Cl9 1.741(6) .
C43 C44 1.357(7) .
C43 H43 0.9500 .
C44 C45 1.381(7) .
C44 Cl10 1.758(5) .
C45 H45 0.9500 .
Dy1 O2 2.259(3) .
Dy1 O6 2.274(4) 3_676
Dy1 O7 2.288(3) 3_676
Dy1 O8 2.304(3) .
Dy1 O9 2.308(3) .
Dy1 O5 2.404(3) .
Dy1 O4 2.473(3) .
N1 Ni1 2.028(4) .
N2 Ni1 2.072(4) .
Ni1 O10 2.009(3) .
Ni1 O1 2.013(4) .
Ni1 O3 2.041(4) .
Ni1 O4 2.451(3) .
O6 Dy1 2.274(4) 3_676
O7 Dy1 2.288(3) 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
N1 C1 C2 C3 0.3(9) . .
C1 C2 C3 C4 1.3(10) . .
C2 C3 C4 C5 0.0(11) . .
C3 C4 C5 N1 -2.8(10) . .
C3 C4 C5 C6 177.6(6) . .
N1 C5 C6 N2 -0.1(7) . .
C4 C5 C6 N2 179.4(6) . .
N1 C5 C6 C7 177.6(6) . .
C4 C5 C6 C7 -2.8(10) . .
N2 C6 C7 C8 0.3(10) . .
C5 C6 C7 C8 -177.4(6) . .
C6 C7 C8 C9 0.8(11) . .
C7 C8 C9 C10 -1.7(10) . .
C8 C9 C10 N2 1.7(10) . .
O1 C11 C12 C17 -164.2(5) . .
O2 C11 C12 C17 16.0(7) . .
O1 C11 C12 C13 19.9(7) . .
O2 C11 C12 C13 -159.9(5) . .
C17 C12 C13 C14 -1.0(8) . .
C11 C12 C13 C14 175.1(5) . .
C12 C13 C14 C15 2.5(8) . .
C12 C13 C14 Cl1 -178.5(4) . .
C13 C14 C15 C16 -0.8(8) . .
Cl1 C14 C15 C16 -179.8(4) . .
C14 C15 C16 C17 -2.5(8) . .
C14 C15 C16 Cl2 177.9(4) . .
C15 C16 C17 C12 4.0(8) . .
Cl2 C16 C17 C12 -176.4(4) . .
C13 C12 C17 C16 -2.2(8) . .
C11 C12 C17 C16 -178.2(5) . .
O4 C18 C19 C24 17.5(7) . .
O3 C18 C19 C24 -160.3(5) . .
O4 C18 C19 C20 -161.2(5) . .
O3 C18 C19 C20 21.0(7) . .
C24 C19 C20 C21 -1.6(8) . .
C18 C19 C20 C21 177.1(5) . .
C19 C20 C21 C22 2.3(8) . .
C19 C20 C21 Cl3 -177.9(4) . .
C20 C21 C22 C23 -0.6(9) . .
Cl3 C21 C22 C23 179.7(4) . .
C21 C22 C23 C24 -2.0(9) . .
C21 C22 C23 Cl4 -179.4(4) . .
C22 C23 C24 C19 2.6(9) . .
Cl4 C23 C24 C19 -179.9(4) . .
C20 C19 C24 C23 -0.8(8) . .
C18 C19 C24 C23 -179.5(5) . .
O5 C25 C26 C31 159.4(5) . .
O6 C25 C26 C31 -19.8(7) . .
O5 C25 C26 C27 -22.2(7) . .
O6 C25 C26 C27 158.6(5) . .
C31 C26 C27 C28 -0.4(7) . .
C25 C26 C27 C28 -178.7(4) . .
C26 C27 C28 C29 -1.8(8) . .
C26 C27 C28 Cl6 176.9(4) . .
C27 C28 C29 C30 2.6(8) . .
Cl6 C28 C29 C30 -176.1(4) . .
C28 C29 C30 C31 -1.3(8) . .
C28 C29 C30 Cl5 179.5(4) . .
C29 C30 C31 C26 -0.8(8) . .
Cl5 C30 C31 C26 178.4(4) . .
C27 C26 C31 C30 1.6(7) . .
C25 C26 C31 C30 -180.0(4) . .
O7 C32 C33 C34 19.9(7) . .
O8 C32 C33 C34 -161.1(5) . .
O7 C32 C33 C38 -161.3(5) . .
O8 C32 C33 C38 17.7(7) . .
C38 C33 C34 C35 1.8(8) . .
C32 C33 C34 C35 -179.4(5) . .
C33 C34 C35 C36 0.2(9) . .
C33 C34 C35 Cl7 -177.7(4) . .
C34 C35 C36 C37 -0.2(10) . .
Cl7 C35 C36 C37 177.7(5) . .
C35 C36 C37 C38 -1.9(10) . .
C35 C36 C37 Cl8 -177.6(5) . .
C36 C37 C38 C33 4.0(9) . .
Cl8 C37 C38 C33 179.7(4) . .
C34 C33 C38 C37 -3.9(8) . .
C32 C33 C38 C37 177.4(5) . .
O10 C39 C40 C41 179.8(5) . .
O9 C39 C40 C41 -1.2(7) . .
O10 C39 C40 C45 1.0(7) . .
O9 C39 C40 C45 179.9(5) . .
C45 C40 C41 C42 0.0(8) . .
C39 C40 C41 C42 -178.8(5) . .
C40 C41 C42 C43 0.9(9) . .
C40 C41 C42 Cl9 -178.7(4) . .
C41 C42 C43 C44 -0.9(9) . .
Cl9 C42 C43 C44 178.8(5) . .
C42 C43 C44 C45 -0.2(9) . .
C42 C43 C44 Cl10 -179.6(5) . .
C43 C44 C45 C40 1.0(9) . .
Cl10 C44 C45 C40 -179.5(4) . .
C41 C40 C45 C44 -0.9(8) . .
C39 C40 C45 C44 177.9(5) . .
C2 C1 N1 C5 -3.2(8) . .
C2 C1 N1 Ni1 -179.5(4) . .
C4 C5 N1 C1 4.3(8) . .
C6 C5 N1 C1 -176.1(5) . .
C4 C5 N1 Ni1 -179.0(4) . .
C6 C5 N1 Ni1 0.6(6) . .
C9 C10 N2 C6 -0.8(9) . .
C9 C10 N2 Ni1 176.8(5) . .
C7 C6 N2 C10 -0.3(9) . .
C5 C6 N2 C10 177.5(5) . .
C7 C6 N2 Ni1 -178.1(5) . .
C5 C6 N2 Ni1 -0.4(6) . .
C1 N1 Ni1 O10 -5.4(4) . .
C5 N1 Ni1 O10 178.1(4) . .
C1 N1 Ni1 O1 88.7(4) . .
C5 N1 Ni1 O1 -87.8(4) . .
C1 N1 Ni1 O3 -96.0(4) . .
C5 N1 Ni1 O3 87.5(4) . .
C1 N1 Ni1 N2 175.9(4) . .
C5 N1 Ni1 N2 -0.6(4) . .
C1 N1 Ni1 O4 -122.1(4) . .
C5 N1 Ni1 O4 61.4(5) . .
C10 N2 Ni1 O1 -87.8(5) . .
C6 N2 Ni1 O1 89.9(4) . .
C10 N2 Ni1 N1 -177.2(5) . .
C6 N2 Ni1 N1 0.5(4) . .
C10 N2 Ni1 O3 83.2(5) . .
C6 N2 Ni1 O3 -99.1(4) . .
C10 N2 Ni1 O4 25.7(5) . .
C6 N2 Ni1 O4 -156.7(4) . .
O2 C11 O1 Ni1 24.7(7) . .
C12 C11 O1 Ni1 -155.1(3) . .
O10 Ni1 O1 C11 -103.7(4) . .
N1 Ni1 O1 C11 161.7(4) . .
N2 Ni1 O1 C11 81.9(4) . .
O4 Ni1 O1 C11 -4.2(4) . .
O1 C11 O2 Dy1 26.2(13) . .
C12 C11 O2 Dy1 -154.0(8) . .
O6 Dy1 O2 C11 -72.3(11) 3_676 .
O7 Dy1 O2 C11 -143.2(10) 3_676 .
O8 Dy1 O2 C11 77.4(10) . .
O9 Dy1 O2 C11 7.2(10) . .
O5 Dy1 O2 C11 136.2(10) . .
O4 Dy1 O2 C11 -68.1(10) . .
O4 C18 O3 Ni1 -4.0(5) . .
C19 C18 O3 Ni1 173.8(3) . .
O10 Ni1 O3 C18 100.6(3) . .
N1 Ni1 O3 C18 -164.7(3) . .
N2 Ni1 O3 C18 -85.1(3) . .
O4 Ni1 O3 C18 2.1(3) . .
O3 C18 O4 Ni1 3.4(4) . .
C19 C18 O4 Ni1 -174.4(4) . .
O3 C18 O4 Dy1 -100.2(7) . .
C19 C18 O4 Dy1 82.1(8) . .
O10 Ni1 O4 C18 -87.4(3) . .
O1 Ni1 O4 C18 175.0(3) . .
N1 Ni1 O4 C18 28.8(5) . .
O3 Ni1 O4 C18 -2.1(3) . .
N2 Ni1 O4 C18 89.2(3) . .
O10 Ni1 O4 Dy1 62.19(15) . .
O1 Ni1 O4 Dy1 -35.44(18) . .
N1 Ni1 O4 Dy1 178.4(3) . .
O3 Ni1 O4 Dy1 147.5(2) . .
N2 Ni1 O4 Dy1 -121.20(16) . .
O2 Dy1 O4 C18 134.5(7) . .
O6 Dy1 O4 C18 -47.2(7) 3_676 .
O7 Dy1 O4 C18 -132.0(7) 3_676 .
O8 Dy1 O4 C18 3.7(8) . .
O9 Dy1 O4 C18 44.0(7) . .
O5 Dy1 O4 C18 174.1(6) . .
O2 Dy1 O4 Ni1 37.11(13) . .
O6 Dy1 O4 Ni1 -144.52(15) 3_676 .
O7 Dy1 O4 Ni1 130.61(15) 3_676 .
O8 Dy1 O4 Ni1 -93.7(2) . .
O9 Dy1 O4 Ni1 -53.39(14) . .
O5 Dy1 O4 Ni1 76.8(2) . .
O6 C25 O5 Dy1 14.1(6) . .
C26 C25 O5 Dy1 -165.1(3) . .
O2 Dy1 O5 C25 149.7(3) . .
O6 Dy1 O5 C25 -17.1(4) 3_676 .
O7 Dy1 O5 C25 56.9(3) 3_676 .
O8 Dy1 O5 C25 -76.9(3) . .
O9 Dy1 O5 C25 -136.7(3) . .
O4 Dy1 O5 C25 109.2(3) . .
O8 C32 O7 Dy1 -18.8(8) . 3_676
C33 C32 O7 Dy1 160.1(3) . 3_676
O7 C32 O8 Dy1 -22.5(8) . .
C33 C32 O8 Dy1 158.7(3) . .
O2 Dy1 O8 C32 171.5(4) . .
O6 Dy1 O8 C32 -20.0(5) 3_676 .
O7 Dy1 O8 C32 47.9(5) 3_676 .
O9 Dy1 O8 C32 -112.4(5) . .
O5 Dy1 O8 C32 113.9(5) . .
O4 Dy1 O8 C32 -72.2(5) . .
O10 C39 O9 Dy1 -10.5(11) . .
C40 C39 O9 Dy1 170.7(5) . .
O2 Dy1 O9 C39 -29.4(7) . .
O6 Dy1 O9 C39 128.5(7) 3_676 .
O7 Dy1 O9 C39 55.9(8) 3_676 .
O8 Dy1 O9 C39 -156.2(8) . .
O5 Dy1 O9 C39 -96.2(7) . .
O4 Dy1 O9 C39 48.1(7) . .
O9 C39 O10 Ni1 -4.7(7) . .
C40 C39 O10 Ni1 174.1(3) . .
O1 Ni1 O10 C39 87.4(4) . .
N1 Ni1 O10 C39 176.6(4) . .
O3 Ni1 O10 C39 -83.9(4) . .
O4 Ni1 O10 C39 -26.6(4) . .
