#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:09:46 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180468 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/37/7213780.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_7213780
loop_
_publ_author_name
'Ion, Adrian E.'
'Nica, Simona'
'Madalan, Augustin M.'
'Maxim, Catalin'
'Julve, Miguel'
'Lloret, Francesc'
'Andruh, Marius'
_publ_section_title
;
 One-dimensional coordination polymers constructed from di- and trinuclear
 {3d--4f} tectons. A new useful spacer in crystal engineering:
 1,3-bis(4-pyridyl)azulene
;
_journal_issue                   3
_journal_name_full               CrystEngComm
_journal_page_first              319
_journal_paper_doi               10.1039/c3ce41592a
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C40 H30 Dy N3 Ni2 O23'
_chemical_formula_weight         1200.59
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 93.23(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.051(3)
_cell_length_b                   30.966(6)
_cell_length_c                   16.201(3)
_cell_measurement_reflns_used    50889
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      33.5
_cell_measurement_theta_min      2.2
_cell_volume                     7539(3)
_computing_cell_refinement       X-area
_computing_data_collection       X-area
_computing_data_reduction        X-area
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'stoe ipds II'
_diffrn_measurement_method       '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  0.0907
_diffrn_reflns_av_sigmaI/netI    0.0698
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            73858
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.23
_exptl_absorpt_coefficient_mu    1.529
_exptl_absorpt_correction_T_max  0.86
_exptl_absorpt_correction_T_min  0.79
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            green-yellow
_exptl_crystal_density_diffrn    1.058
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2388
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.804
_refine_diff_density_min         -0.854
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.951
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     644
_refine_ls_number_reflns         13228
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      0.956
_refine_ls_R_factor_all          0.0930
_refine_ls_R_factor_gt           0.0578
_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)+(0.0939P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1515
_refine_ls_wR_factor_ref         0.1652
_reflns_number_gt                8311
_reflns_number_total             13228
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce41592a.txt
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7213780
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.2833(5) 0.4452(3) 0.7228(4) 0.0633(17) Uani 1 1 d . . .
C2 C 0.3108(5) 0.4018(2) 0.6960(4) 0.0609(17) Uani 1 1 d . . .
C3 C 0.2797(7) 0.3862(3) 0.6211(6) 0.096(3) Uani 1 1 d . . .
H3 H 0.2378 0.4017 0.5886 0.115 Uiso 1 1 calc R . .
C4 C 0.3116(9) 0.3469(4) 0.5940(7) 0.121(4) Uani 1 1 d . . .
H4 H 0.2924 0.3363 0.5424 0.145 Uiso 1 1 calc R . .
C5 C 0.3704(9) 0.3242(3) 0.6425(8) 0.106(4) Uani 1 1 d . . .
C6 C 0.4044(8) 0.3384(3) 0.7163(8) 0.113(3) Uani 1 1 d . . .
H6 H 0.4469 0.3225 0.7471 0.135 Uiso 1 1 calc R . .
C7 C 0.3734(6) 0.3779(3) 0.7450(6) 0.091(3) Uani 1 1 d . . .
H7 H 0.3941 0.3884 0.7963 0.109 Uiso 1 1 calc R . .
C8 C 0.4126(7) 0.2117(3) 0.5946(7) 0.114(4) Uani 1 1 d . . .
H8 H 0.4518 0.2162 0.5531 0.137 Uiso 1 1 calc R . .
C9 C 0.3895(6) 0.1706(3) 0.6176(6) 0.095(3) Uani 1 1 d . . .
H9 H 0.4160 0.1473 0.5927 0.114 Uiso 1 1 calc R . .
C10 C 0.3290(5) 0.1629(2) 0.6756(5) 0.0691(18) Uani 1 1 d . . .
C11 C 0.2904(6) 0.1985(2) 0.7122(6) 0.084(2) Uani 1 1 d . . .
H11 H 0.2478 0.1943 0.7508 0.100 Uiso 1 1 calc R . .
C12 C 0.3147(7) 0.2398(3) 0.6918(6) 0.101(3) Uani 1 1 d . . .
H12 H 0.2893 0.2634 0.7170 0.122 Uiso 1 1 calc R . .
C13 C 0.3043(5) 0.1181(2) 0.6975(4) 0.0622(17) Uani 1 1 d . . .
C14 C -0.0527(5) 0.0514(4) 0.7819(5) 0.096(3) Uani 1 1 d . . .
H14 H -0.0846 0.0504 0.8293 0.115 Uiso 1 1 calc R . .
C15 C -0.0965(6) 0.0553(4) 0.7066(6) 0.113(4) Uani 1 1 d . . .
H15 H -0.1581 0.0577 0.7020 0.135 Uiso 1 1 calc R . .
C16 C -0.0474(5) 0.0555(4) 0.6372(5) 0.096(3) Uani 1 1 d . . .
H16 H -0.0756 0.0582 0.5848 0.116 Uiso 1 1 calc R . .
C17 C 0.0395(5) 0.0490(3) 0.7884(4) 0.0689(19) Uani 1 1 d . . .
C18 C 0.0935(5) 0.0486(3) 0.8680(4) 0.0666(18) Uani 1 1 d . . .
C19 C 0.0521(6) 0.0541(3) 0.9414(5) 0.086(2) Uani 1 1 d . . .
H19 H -0.0098 0.0548 0.9379 0.104 Uiso 1 1 calc R . .
C20 C 0.0940(7) 0.0587(3) 1.0205(5) 0.087(2) Uani 1 1 d . . .
C21 C 0.0338(7) 0.0627(4) 1.0933(5) 0.122(4) Uani 1 1 d . . .
H21A H 0.0698 0.0660 1.1437 0.184 Uiso 1 1 calc R . .
H21B H -0.0022 0.0372 1.0965 0.184 Uiso 1 1 calc R . .
H21C H -0.0040 0.0875 1.0853 0.184 Uiso 1 1 calc R . .
C22 C 0.1030(5) 0.0480(2) 0.5757(4) 0.0629(17) Uani 1 1 d . . .
C23 C 0.0665(5) 0.0526(3) 0.4957(5) 0.082(2) Uani 1 1 d . . .
H23 H 0.0072 0.0612 0.4902 0.098 Uiso 1 1 calc R . .
C24 C 0.1099(6) 0.0456(3) 0.4216(5) 0.081(2) Uani 1 1 d . . .
C25 C 0.0640(7) 0.0600(4) 0.3421(5) 0.118(4) Uani 1 1 d . . .
H25A H 0.1012 0.0539 0.2973 0.178 Uiso 1 1 calc R . .
H25B H 0.0527 0.0905 0.3444 0.178 Uiso 1 1 calc R . .
H25C H 0.0087 0.0448 0.3336 0.178 Uiso 1 1 calc R . .
C26 C 0.4325(7) -0.0820(4) 0.4100(6) 0.113(3) Uani 1 1 d . . .
H26A H 0.3935 -0.0838 0.3611 0.169 Uiso 1 1 calc R . .
H26B H 0.4387 -0.1101 0.4348 0.169 Uiso 1 1 calc R . .
H26C H 0.4898 -0.0718 0.3956 0.169 Uiso 1 1 calc R . .
C27 C 0.3937(6) -0.0511(3) 0.4708(5) 0.081(2) Uani 1 1 d . . .
C28 C 0.4391(5) -0.0437(3) 0.5488(5) 0.080(2) Uani 1 1 d . . .
H28 H 0.4957 -0.0556 0.5559 0.095 Uiso 1 1 calc R . .
C29 C 0.4096(5) -0.0210(2) 0.6153(5) 0.0644(18) Uani 1 1 d . . .
C30 C 0.4702(5) -0.0120(3) 0.6881(5) 0.0675(18) Uani 1 1 d . . .
C31 C 0.5613(5) -0.0215(3) 0.6933(6) 0.091(3) Uani 1 1 d . . .
H31 H 0.5867 -0.0367 0.6511 0.109 Uiso 1 1 calc R . .
C32 C 0.6123(6) -0.0082(4) 0.7600(7) 0.112(3) Uani 1 1 d . . .
H32 H 0.6728 -0.0144 0.7640 0.135 Uiso 1 1 calc R . .
C33 C 0.5745(6) 0.0143(3) 0.8219(6) 0.098(3) Uani 1 1 d . . .
H33 H 0.6092 0.0237 0.8677 0.117 Uiso 1 1 calc R . .
C34 C 0.4832(5) 0.0228(3) 0.8152(5) 0.072(2) Uani 1 1 d . . .
C35 C 0.4350(5) 0.0450(3) 0.8801(5) 0.0705(19) Uani 1 1 d . . .
C40 C 0.0448(5) 0.0516(3) 0.6464(4) 0.0662(18) Uani 1 1 d . . .
C36 C 0.4791(6) 0.0557(3) 0.9532(5) 0.086(2) Uani 1 1 d . . .
H36 H 0.5399 0.0502 0.9567 0.103 Uiso 1 1 calc R . .
C37 C 0.4437(6) 0.0741(3) 1.0245(5) 0.086(2) Uani 1 1 d . . .
C38 C 0.5064(7) 0.0877(4) 1.0940(5) 0.113(3) Uani 1 1 d . . .
H38A H 0.4734 0.0994 1.1378 0.170 Uiso 1 1 calc R . .
H38B H 0.5461 0.1093 1.0748 0.170 Uiso 1 1 calc R . .
H38C H 0.5402 0.0632 1.1141 0.170 Uiso 1 1 calc R . .
N1 N 0.4320(4) 0.01046(19) 0.7484(4) 0.0629(14) Uani 1 1 d . . .
N2 N 0.0885(3) 0.04766(19) 0.7210(3) 0.0587(13) Uani 1 1 d . . .
O1 O 0.3514(3) 0.05174(16) 0.8611(3) 0.0665(12) Uani 1 1 d . . .
O2 O 0.3623(4) 0.0791(2) 1.0345(3) 0.0938(18) Uani 1 1 d . . .
O3 O 0.1767(4) 0.0608(2) 1.0382(3) 0.0953(18) Uani 1 1 d . . .
O4 O 0.1781(3) 0.04229(16) 0.8603(3) 0.0670(12) Uani 1 1 d . . .
O6 O 0.3303(3) -0.00586(16) 0.6205(3) 0.0637(12) Uani 1 1 d . . .
O7 O 0.3230(4) -0.0331(2) 0.4469(3) 0.0864(16) Uani 1 1 d . . .
O8 O 0.1854(3) 0.03908(15) 0.5967(3) 0.0624(12) Uani 1 1 d . . .
O9 O 0.2444(3) 0.11060(15) 0.7460(3) 0.0696(13) Uani 1 1 d . . .
O10 O 0.3436(3) 0.08701(15) 0.6652(3) 0.0690(12) Uani 1 1 d . . .
O11 O 0.2220(3) 0.46492(16) 0.6837(3) 0.0693(12) Uani 1 1 d . . .
O12 O 0.4073(5) 0.28573(18) 0.6098(5) 0.125(2) Uani 1 1 d U . .
O13 O 0.2430(4) 0.1243(2) 0.9168(4) 0.1021(19) Uani 1 1 d . . .
O14 O 0.2944(4) -0.00579(19) 0.9800(3) 0.0805(15) Uani 1 1 d . . .
O15 O 0.1734(3) -0.04709(18) 0.5419(3) 0.0784(14) Uani 1 1 d . . .
C39 C 0.3758(8) 0.2458(3) 0.6347(7) 0.125(2) Uani 1 1 d U . .
O16 O 0.3382(3) 0.06029(19) 0.5005(3) 0.0802(15) Uani 1 1 d . . .
O17 O 0.3224(3) 0.46300(16) 0.7874(3) 0.0719(13) Uani 1 1 d . . .
O18 O 0.1847(4) 0.0272(2) 0.4174(3) 0.0859(16) Uani 1 1 d . . .
Ni1 Ni 0.25587(6) 0.00640(3) 0.51593(5) 0.0670(3) Uani 1 1 d . . .
Ni2 Ni 0.26652(7) 0.05895(4) 0.95270(6) 0.0742(3) Uani 1 1 d . . .
Dy Dy 0.26123(2) 0.031423(10) 0.73445(2) 0.05716(12) Uani 1 1 d . . .
O2A O 0.2040(7) -0.0563(4) 1.0827(7) 0.185(4) Uani 1 1 d U . .
O3A O 0.3104(6) -0.0993(3) 1.0668(6) 0.154(3) Uani 1 1 d U . .
N3 N 0.2394(11) -0.0899(5) 1.0978(9) 0.182(4) Uani 1 1 d U . .
O1A O 0.2051(11) -0.1174(5) 1.1361(10) 0.279(6) Uani 1 1 d U . .
O1W O 0.3055(19) 0.1274(7) 0.3896(11) 0.260(13) Uani 0.69(2) 1 d P A 1
O1AW O 0.408(3) 0.1429(10) 0.4049(17) 0.19(2) Uani 0.31(2) 1 d P A 1
O2W O 0.3836(19) -0.1776(13) 0.641(2) 0.36(2) Uani 0.69(2) 1 d P A 2
O2AW O 0.380(3) -0.141(2) 0.709(3) 0.26(3) Uani 0.31(2) 1 d P A 2
O3W O 0.2354(16) -0.1282(5) 0.513(2) 0.314(18) Uani 0.69(2) 1 d P A 3
O3AW O 0.122(4) -0.1452(12) 0.524(3) 0.30(4) Uani 0.31(2) 1 d P A 3
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'
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
O11 C1 O17 119.4(7) . .
O11 C1 C2 120.4(7) . .
O17 C1 C2 120.1(6) . .
O11 C1 Dy 59.2(4) . 2_556
O17 C1 Dy 60.5(4) . 2_556
C2 C1 Dy 175.7(5) . 2_556
C3 C2 C7 120.0(8) . .
C3 C2 C1 119.7(7) . .
C7 C2 C1 120.1(7) . .
C2 C3 C4 118.9(10) . .
C2 C3 H3 120.5 . .
C4 C3 H3 120.5 . .
C5 C4 C3 120.0(10) . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
C6 C5 C4 123.4(9) . .
C6 C5 O12 117.7(12) . .
C4 C5 O12 118.4(12) . .
C5 C6 C7 117.6(10) . .
C5 C6 H6 121.2 . .
C7 C6 H6 121.2 . .
C6 C7 C2 119.9(9) . .
C6 C7 H7 120.0 . .
C2 C7 H7 120.0 . .
C39 C8 C9 117.9(8) . .
C39 C8 H8 121.1 . .
C9 C8 H8 121.1 . .
C10 C9 C8 122.5(8) . .
C10 C9 H9 118.8 . .
C8 C9 H9 118.8 . .
C9 C10 C11 117.6(7) . .
C9 C10 C13 120.9(7) . .
C11 C10 C13 121.5(7) . .
C12 C11 C10 120.7(8) . .
C12 C11 H11 119.6 . .
C10 C11 H11 119.6 . .
C39 C12 C11 119.3(8) . .
C39 C12 H12 120.3 . .
C11 C12 H12 120.3 . .
O9 C13 O10 119.5(6) . .
O9 C13 C10 121.5(6) . .
O10 C13 C10 119.0(7) . .
O9 C13 Dy 60.7(3) . .
O10 C13 Dy 58.8(4) . .
C10 C13 Dy 177.8(5) . .
C15 C14 C17 120.4(8) . .
C15 C14 H14 119.8 . .
C17 C14 H14 119.8 . .
C14 C15 C16 118.5(8) . .
C14 C15 H15 120.7 . .
C16 C15 H15 120.7 . .
C15 C16 C40 119.2(7) . .
C15 C16 H16 120.4 . .
C40 C16 H16 120.4 . .
N2 C17 C14 122.0(7) . .
N2 C17 C18 113.8(6) . .
C14 C17 C18 124.2(7) . .
O4 C18 C19 126.3(7) . .
O4 C18 C17 114.1(6) . .
C19 C18 C17 119.6(7) . .
C18 C19 C20 126.6(8) . .
C18 C19 H19 116.7 . .
C20 C19 H19 116.7 . .
O3 C20 C19 126.8(8) . .
O3 C20 C21 116.0(8) . .
C19 C20 C21 117.1(8) . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
O8 C22 C23 126.2(7) . .
O8 C22 C40 114.2(6) . .
C23 C22 C40 119.6(6) . .
C22 C23 C24 126.8(7) . .
C22 C23 H23 116.6 . .
C24 C23 H23 116.6 . .
O18 C24 C23 124.6(7) . .
O18 C24 C25 117.2(7) . .
C23 C24 C25 118.2(8) . .
C24 C25 H25A 109.5 . .
C24 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C24 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C27 C26 H26A 109.5 . .
C27 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C27 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
O7 C27 C28 124.4(7) . .
O7 C27 C26 115.8(8) . .
C28 C27 C26 119.7(8) . .
C29 C28 C27 128.1(7) . .
C29 C28 H28 116.0 . .
C27 C28 H28 116.0 . .
O6 C29 C28 125.2(7) . .
O6 C29 C30 114.3(6) . .
C28 C29 C30 120.6(6) . .
N1 C30 C31 121.2(7) . .
N1 C30 C29 113.9(6) . .
C31 C30 C29 124.5(7) . .
C32 C31 C30 119.6(8) . .
C32 C31 H31 120.2 . .
C30 C31 H31 120.2 . .
C31 C32 C33 119.9(8) . .
C31 C32 H32 120.1 . .
C33 C32 H32 120.1 . .
C32 C33 C34 119.1(8) . .
C32 C33 H33 120.4 . .
C34 C33 H33 120.4 . .
N1 C34 C33 121.5(8) . .
N1 C34 C35 115.0(6) . .
C33 C34 C35 123.5(7) . .
O1 C35 C36 125.8(8) . .
O1 C35 C34 114.5(6) . .
C36 C35 C34 119.7(7) . .
N2 C40 C16 122.5(7) . .
N2 C40 C22 114.0(6) . .
C16 C40 C22 123.4(7) . .
C35 C36 C37 128.1(8) . .
C35 C36 H36 115.9 . .
C37 C36 H36 115.9 . .
O2 C37 C36 124.7(8) . .
O2 C37 C38 116.7(8) . .
C36 C37 C38 118.6(9) . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C34 N1 C30 118.6(6) . .
C34 N1 Dy 120.4(5) . .
C30 N1 Dy 120.9(4) . .
C17 N2 C40 117.4(6) . .
C17 N2 Dy 121.2(4) . .
C40 N2 Dy 121.2(4) . .
C35 O1 Ni2 119.2(5) . .
C35 O1 Dy 129.4(5) . .
Ni2 O1 Dy 107.23(19) . .
C37 O2 Ni2 123.2(5) . .
C20 O3 Ni2 122.7(5) . .
C18 O4 Ni2 120.0(4) . .
C18 O4 Dy 130.0(4) . .
Ni2 O4 Dy 107.7(2) . .
C29 O6 Ni1 119.1(4) . .
C29 O6 Dy 130.7(4) . .
Ni1 O6 Dy 107.74(18) . .
C27 O7 Ni1 123.9(5) . .
C22 O8 Ni1 118.0(4) . .
C22 O8 Dy 130.3(4) . .
Ni1 O8 Dy 107.91(19) . .
C13 O9 Dy 93.2(4) . .
C13 O10 Dy 94.9(4) . .
C1 O11 Dy 94.9(4) . 2_556
C39 O12 C5 119.1(7) . .
C12 C39 C8 121.8(8) . .
C12 C39 O12 125.1(8) . .
C8 C39 O12 113.1(8) . .
C1 O17 Dy 92.5(4) . 2_556
C24 O18 Ni1 123.0(5) . .
O7 Ni1 O18 90.9(2) . .
O7 Ni1 O8 171.7(2) . .
O18 Ni1 O8 94.6(2) . .
O7 Ni1 O6 94.7(2) . .
O18 Ni1 O6 171.8(2) . .
O8 Ni1 O6 80.56(18) . .
O7 Ni1 O16 95.8(2) . .
O18 Ni1 O16 86.6(2) . .
O8 Ni1 O16 90.8(2) . .
O6 Ni1 O16 86.9(2) . .
O7 Ni1 O15 87.2(2) . .
O18 Ni1 O15 96.8(2) . .
O8 Ni1 O15 85.9(2) . .
O6 Ni1 O15 89.4(2) . .
O16 Ni1 O15 175.4(2) . .
O3 Ni2 O2 91.3(3) . .
O3 Ni2 O4 94.5(2) . .
O2 Ni2 O4 173.3(2) . .
O3 Ni2 O1 174.2(2) . .
O2 Ni2 O1 93.4(2) . .
O4 Ni2 O1 81.08(19) . .
O3 Ni2 O14 90.9(3) . .
O2 Ni2 O14 91.8(2) . .
O4 Ni2 O14 91.6(2) . .
O1 Ni2 O14 85.5(2) . .
O3 Ni2 O13 93.1(3) . .
O2 Ni2 O13 89.2(3) . .
O4 Ni2 O13 87.0(2) . .
O1 Ni2 O13 90.4(2) . .
O14 Ni2 O13 175.8(2) . .
O10 Dy O11 143.46(16) . 2_546
O10 Dy O6 74.80(16) . .
O11 Dy O6 88.67(16) 2_546 .
O10 Dy O8 74.69(16) . .
O11 Dy O8 126.83(16) 2_546 .
O6 Dy O8 63.78(15) . .
O10 Dy O9 52.42(15) . .
O11 Dy O9 143.00(16) 2_546 .
O6 Dy O9 124.90(16) . .
O8 Dy O9 85.91(16) . .
O10 Dy O4 125.33(16) . .
O11 Dy O4 73.16(16) 2_546 .
O6 Dy O4 159.70(16) . .
O8 Dy O4 120.25(15) . .
O9 Dy O4 75.17(16) . .
O10 Dy O1 86.14(17) . .
O11 Dy O1 74.36(17) 2_546 .
O6 Dy O1 120.42(15) . .
O8 Dy O1 158.69(17) . .
O9 Dy O1 74.89(17) . .
O4 Dy O1 64.02(15) . .
O10 Dy O17 143.77(16) . 2_546
O11 Dy O17 52.88(17) 2_546 2_546
O6 Dy O17 73.98(16) . 2_546
O8 Dy O17 75.33(16) . 2_546
O9 Dy O17 143.56(16) . 2_546
O4 Dy O17 87.58(17) . 2_546
O1 Dy O17 125.84(16) . 2_546
O10 Dy N2 110.59(17) . .
O11 Dy N2 105.94(17) 2_546 .
O6 Dy N2 118.90(16) . .
O8 Dy N2 60.23(15) . .
O9 Dy N2 73.34(17) . .
O4 Dy N2 60.09(16) . .
O1 Dy N2 120.66(16) . .
O17 Dy N2 70.24(17) 2_546 .
O10 Dy N1 72.26(17) . .
O11 Dy N1 71.25(17) 2_546 .
O6 Dy N1 59.94(17) . .
O8 Dy N1 119.96(16) . .
O9 Dy N1 109.86(17) . .
O4 Dy N1 119.78(17) . .
O1 Dy N1 60.51(17) . .
O17 Dy N1 106.58(18) 2_546 .
N2 Dy N1 176.77(18) . .
O10 Dy C13 26.28(17) . .
O11 Dy C13 153.01(19) 2_546 .
O6 Dy C13 100.08(19) . .
O8 Dy C13 79.46(18) . .
O9 Dy C13 26.15(17) . .
O4 Dy C13 100.22(19) . .
O1 Dy C13 79.23(18) . .
O17 Dy C13 154.11(19) 2_546 .
N2 Dy C13 92.18(19) . .
N1 Dy C13 91.01(19) . .
O10 Dy C1 155.35(17) . 2_546
O11 Dy C1 25.92(17) 2_546 2_546
O6 Dy C1 81.81(18) . 2_546
O8 Dy C1 101.97(19) . 2_546
O9 Dy C1 152.20(17) . 2_546
O4 Dy C1 77.90(18) . 2_546
O1 Dy C1 99.33(19) . 2_546
O17 Dy C1 27.03(17) 2_546 2_546
N2 Dy C1 87.40(19) . 2_546
N1 Dy C1 89.43(19) . 2_546
C13 Dy C1 178.0(2) . 2_546
O1A N3 O2A 122.1(16) . .
O1A N3 O3A 116.9(17) . .
O2A N3 O3A 120.5(13) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O11 1.249(8) .
C1 O17 1.295(8) .
C1 C2 1.478(10) .
C1 Dy 2.848(8) 2_556
C2 C3 1.365(11) .
C2 C7 1.407(11) .
C3 C4 1.388(13) .
C3 H3 0.9300 .
C4 C5 1.348(15) .
C4 H4 0.9300 .
C5 C6 1.347(15) .
C5 O12 1.430(10) .
C6 C7 1.398(13) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C39 1.372(12) .
C8 C9 1.375(12) .
C8 H8 0.9300 .
C9 C10 1.367(10) .
C9 H9 0.9300 .
C10 C11 1.393(10) .
C10 C13 1.485(10) .
C11 C12 1.377(11) .
C11 H11 0.9300 .
C12 C39 1.354(12) .
C12 H12 0.9300 .
C13 O9 1.250(8) .
C13 O10 1.258(8) .
C13 Dy 2.832(7) .
C14 C15 1.358(12) .
C14 C17 1.387(10) .
C14 H14 0.9300 .
C15 C16 1.380(11) .
C15 H15 0.9300 .
C16 C40 1.394(10) .
C16 H16 0.9300 .
C17 N2 1.352(8) .
C17 C18 1.485(10) .
C18 O4 1.302(8) .
C18 C19 1.384(10) .
C19 C20 1.404(12) .
C19 H19 0.9300 .
C20 O3 1.263(10) .
C20 C21 1.533(11) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 O8 1.297(8) .
C22 C23 1.385(10) .
C22 C40 1.485(9) .
C23 C24 1.416(11) .
C23 H23 0.9300 .
C24 O18 1.268(9) .
C24 C25 1.495(11) .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 C27 1.514(11) .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 O7 1.244(10) .
C27 C28 1.421(12) .
C28 C29 1.381(10) .
C28 H28 0.9300 .
C29 O6 1.289(8) .
C29 C30 1.476(10) .
C30 N1 1.353(9) .
C30 C31 1.401(10) .
C31 C32 1.354(12) .
C31 H31 0.9300 .
C32 C33 1.369(13) .
C32 H32 0.9300 .
C33 C34 1.398(11) .
C33 H33 0.9300 .
C34 N1 1.347(9) .
C34 C35 1.479(11) .
C35 O1 1.295(8) .
C35 C36 1.365(11) .
C40 N2 1.349(9) .
C36 C37 1.419(12) .
C36 H36 0.9300 .
C37 O2 1.254(10) .
C37 C38 1.489(11) .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
N1 Dy 2.649(5) .
N2 Dy 2.644(5) .
O1 Ni2 2.025(5) .
O1 Dy 2.477(5) .
O2 Ni2 2.002(6) .
O3 Ni2 1.991(6) .
O4 Ni2 2.013(5) .
O4 Dy 2.475(5) .
O6 Ni1 2.014(5) .
O6 Dy 2.457(4) .
O7 Ni1 1.974(5) .
O8 Ni1 2.005(4) .
O8 Dy 2.461(5) .
O9 Dy 2.473(5) .
O10 Dy 2.432(5) .
O11 Dy 2.455(5) 2_556
O12 C39 1.393(10) .
O13 Ni2 2.130(6) .
O14 Ni2 2.090(6) .
O15 Ni1 2.126(5) .
O16 Ni1 2.102(6) .
O17 Dy 2.480(5) 2_556
O18 Ni1 1.979(5) .
Dy O11 2.455(5) 2_546
Dy O17 2.480(5) 2_546
Dy C1 2.848(8) 2_546
O2A N3 1.188(15) .
O3A N3 1.240(14) .
N3 O1A 1.188(15) .
O1W O1AW 1.62(4) .
O2W O2AW 1.59(6) .
O3W O3AW 1.80(7) .
