#------------------------------------------------------------------------------
#$Date: 2023-04-20 14:53:48 +0300 (Thu, 20 Apr 2023) $
#$Revision: 282777 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/68/1546872.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_1546872
loop_
_publ_author_name
'Jiang, Lin'
'Liu, Yue'
'Liu, Xin'
'Tian, Jinlei'
'Yan, Shiping'
_publ_section_title
;
 Three series of heterometallic Ni II --Ln III
 Schiff base complexes: synthesis, crystal structures and magnetic
 characterization
;
_journal_issue                   37
_journal_name_full               'Dalton Transactions'
_journal_page_first              12558
_journal_page_last               12573
_journal_paper_doi               10.1039/C7DT02351K
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C48 H58 Dy2 N4 Ni2 O22'
_chemical_formula_sum            'C48 H58 Dy2 N4 Ni2 O22'
_chemical_formula_weight         1485.36
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_block_doi                 10.5517/ccdc.csd.cc1p6rf2
_audit_creation_date             2017-07-31
_audit_creation_method
;
  Olex2 1.2
  (compiled Dec  5 2012 16:20:19, GUI svn.r4385)
;
_audit_update_record
;
2017-08-14 deposited with the CCDC.
2017-08-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.38(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.869(3)
_cell_length_b                   14.249(3)
_cell_length_c                   17.379(4)
_cell_measurement_reflns_used    7916
_cell_measurement_temperature    128.60(10)
_cell_measurement_theta_max      28.8790
_cell_measurement_theta_min      3.4770
_cell_volume                     3184.0(12)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'ShelXS-1997 (Sheldrick, 2008)'
_diffrn_ambient_temperature      128.60(10)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_av_unetI/netI     0.0451
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            12505
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.005
_diffrn_reflns_theta_max         25.005
_diffrn_reflns_theta_min         2.885
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.972
_exptl_absorpt_correction_T_max  0.660
_exptl_absorpt_correction_T_min  0.592
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.549
_exptl_crystal_description       prism
_exptl_crystal_F_000             1476
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.674
_refine_diff_density_min         -1.092
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         5601
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0328
_refine_ls_R_factor_gt           0.0282
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0227P)²+2.6725P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0663
_refine_ls_wR_factor_ref         0.0690
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5033
_reflns_number_total             5601
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt02351k2.cif
_cod_data_source_block           nidyde_sq
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_cell_volume        3184.1(11)
_cod_database_code               1546872
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  {H11a,H11b} of C11, H8 of C8, H15 of C15, H16 of C16, {H9a,H9b} of C9,
  {H20a,H20b} of C20, H14 of C14, H12 of C12, H6 of C6, H5 of C5, H10 of C10,
  H4 of C4
 At 1.5 times of:
  H11 of O11, {H21a,H21b,H21c} of C21, {H23a,H23b,H23c} of C23, {H19a,H19b,
  H19c} of C19, H3 of O3, {H1a,H1b,H1c} of C1
2. Restrained distances
 O11-H11
 0.85 with sigma of 0.01
 C20-H11
 1.900874 with sigma of 0.02
 Ni1-H11
 2.715827 with sigma of 0.02
3. Rigid bond restraints
 C3, O6
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.001
 O7, C3
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.001
 C3, O8
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.001
4.a Ternary CH refined with riding coordinates:
 C10(H10)
4.b Secondary CH2 refined with riding coordinates:
 C20(H20a,H20b), C11(H11a,H11b), C9(H9a,H9b)
4.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C12(H12), C14(H14), C15(H15), C8(H8), C16(H16)
4.d Idealised Me refined as rotating group:
 C1(H1a,H1b,H1c), C19(H19a,H19b,H19c), C21(H21a,H21b,H21c), C23(H23a,H23b,H23c)
4.e Idealised tetrahedral OH refined as rotating group:
 O3(H3)
;
_olex2_submission_special_instructions 'No special instructions were received'
_shelx_shelxl_version_number     2014/7
_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.
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
O7 O 0.74431(19) 0.51251(18) 0.42734(15) 0.0206(6) Uani 1 1 d . U
O6 O 0.58751(19) 0.49758(17) 0.47742(15) 0.0209(6) Uani 1 1 d . U
Dy1 Dy 0.49460(2) 0.36021(2) 0.49292(2) 0.01428(7) Uani 1 1 d . .
Ni1 Ni 0.25419(4) 0.33998(3) 0.56414(3) 0.01679(12) Uani 1 1 d D .
O4 O 0.32179(18) 0.33942(18) 0.45982(14) 0.0181(6) Uani 1 1 d . .
O2 O 0.40546(18) 0.33292(18) 0.60185(14) 0.0173(6) Uani 1 1 d . .
O1 O 0.60479(19) 0.35639(19) 0.61460(14) 0.0204(6) Uani 1 1 d . .
O5 O 0.44961(19) 0.37524(19) 0.35255(14) 0.0187(6) Uani 1 1 d . .
C0AA C 0.5530(3) 0.3537(3) 0.6835(2) 0.0172(8) Uani 1 1 d . .
O11 O 0.2544(2) 0.19273(19) 0.56007(15) 0.0228(6) Uani 1 1 d D .
H11 H 0.3074(19) 0.1616(14) 0.5785(17) 0.034 Uiso 1 1 d D U
N1 N 0.2102(2) 0.3314(2) 0.67546(18) 0.0205(7) Uani 1 1 d . .
C18 C 0.2785(3) 0.3665(3) 0.3934(2) 0.0176(8) Uani 1 1 d . .
C4 C 0.6010(3) 0.3624(3) 0.7554(2) 0.0234(9) Uani 1 1 d . .
H4 H 0.6727 0.3703 0.7606 0.028 Uiso 1 1 calc R U
C10 C 0.0291(3) 0.3789(3) 0.6367(3) 0.0333(11) Uani 1 1 d . .
H10 H -0.0401 0.3769 0.6580 0.040 Uiso 1 1 calc R U
C2 C 0.4445(3) 0.3427(2) 0.6727(2) 0.0143(8) Uani 1 1 d . .
C7 C 0.3843(3) 0.3420(3) 0.7387(2) 0.0175(8) Uani 1 1 d . .
N2 N 0.1105(2) 0.3507(2) 0.51052(19) 0.0222(8) Uani 1 1 d . .
C5 C 0.5410(3) 0.3594(3) 0.8203(2) 0.0267(10) Uani 1 1 d . .
H5 H 0.5726 0.3643 0.8693 0.032 Uiso 1 1 calc R U
C1 C 0.7169(3) 0.3599(3) 0.6215(2) 0.0247(10) Uani 1 1 d . .
H1A H 0.7448 0.3563 0.5712 0.037 Uiso 1 1 calc R U
H1B H 0.7421 0.3080 0.6521 0.037 Uiso 1 1 calc R U
H1C H 0.7383 0.4177 0.6457 0.037 Uiso 1 1 calc R U
C6 C 0.4345(3) 0.3490(3) 0.8115(2) 0.0250(10) Uani 1 1 d . .
H6 H 0.3951 0.3466 0.8551 0.030 Uiso 1 1 calc R U
C12 C 0.0938(3) 0.3688(3) 0.4388(2) 0.0229(9) Uani 1 1 d . .
H12 H 0.0247 0.3764 0.4223 0.027 Uiso 1 1 calc R U
C14 C 0.1332(3) 0.4042(3) 0.3052(2) 0.0271(10) Uani 1 1 d . .
H14 H 0.0622 0.4132 0.2961 0.033 Uiso 1 1 calc R U
C20 C 0.2170(3) 0.1408(3) 0.4929(3) 0.0340(11) Uani 1 1 d D .
H20A H 0.2757 0.1179 0.4650 0.041 Uiso 1 1 calc R U
H20B H 0.1764 0.1819 0.4589 0.041 Uiso 1 1 calc R U
C17 C 0.3444(3) 0.3839(3) 0.3317(2) 0.0184(8) Uani 1 1 d . .
O9 O 0.5191(2) 0.2056(2) 0.49775(14) 0.0233(6) Uani 1 1 d . .
C13 C 0.1708(3) 0.3789(3) 0.3802(2) 0.0187(8) Uani 1 1 d . .
O3 O 0.0604(3) 0.4770(2) 0.6379(2) 0.0500(9) Uani 1 1 d . .
H3 H 0.1192 0.4818 0.6220 0.075 Uiso 1 1 calc R U
C19 C 0.5201(3) 0.3858(3) 0.2903(2) 0.0235(9) Uani 1 1 d . .
H19A H 0.5167 0.4491 0.2714 0.035 Uiso 1 1 calc R U
H19B H 0.5005 0.3432 0.2494 0.035 Uiso 1 1 calc R U
H19C H 0.5898 0.3722 0.3089 0.035 Uiso 1 1 calc R U
C15 C 0.1986(3) 0.4160(3) 0.2458(2) 0.0299(10) Uani 1 1 d . .
H15 H 0.1716 0.4303 0.1967 0.036 Uiso 1 1 calc R U
C8 C 0.2721(3) 0.3319(3) 0.7351(2) 0.0210(9) Uani 1 1 d . .
H8 H 0.2411 0.3248 0.7821 0.025 Uiso 1 1 calc R U
C16 C 0.3057(3) 0.4064(3) 0.2589(2) 0.0244(9) Uani 1 1 d . .
H16 H 0.3506 0.4151 0.2190 0.029 Uiso 1 1 calc R U
C11 C 0.0160(3) 0.3429(4) 0.5554(3) 0.0356(12) Uani 1 1 d . .
H11A H -0.0049 0.2776 0.5569 0.043 Uiso 1 1 calc R U
H11B H -0.0397 0.3777 0.5290 0.043 Uiso 1 1 calc R U
C9 C 0.0991(3) 0.3189(4) 0.6901(2) 0.0328(11) Uani 1 1 d . .
H9A H 0.0871 0.3356 0.7431 0.039 Uiso 1 1 calc R U
H9B H 0.0807 0.2534 0.6831 0.039 Uiso 1 1 calc R U
C21 C 0.1517(5) 0.0601(4) 0.5159(3) 0.0640(17) Uani 1 1 d . .
H21A H 0.1916 0.0199 0.5502 0.096 Uiso 1 1 calc R U
H21B H 0.1292 0.0254 0.4709 0.096 Uiso 1 1 calc R U
H21C H 0.0920 0.0830 0.5415 0.096 Uiso 1 1 calc R U
O10 O 0.4389(2) 0.1161(2) 0.58380(17) 0.0314(7) Uani 1 1 d . .
C3 C 0.6705(3) 0.4624(3) 0.4469(2) 0.0178(7) Uani 1 1 d . U
C22 C 0.5146(3) 0.1361(3) 0.5451(2) 0.0226(9) Uani 1 1 d . .
C23 C 0.6091(3) 0.0740(3) 0.5497(3) 0.0413(12) Uani 1 1 d . .
H23A H 0.6138 0.0398 0.5024 0.062 Uiso 1 1 calc R U
H23B H 0.6037 0.0308 0.5917 0.062 Uiso 1 1 calc R U
H23C H 0.6703 0.1119 0.5579 0.062 Uiso 1 1 calc R U
O8 O 0.66775(19) 0.37193(19) 0.44072(15) 0.0210(6) Uani 1 1 d . U
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'
Dy Dy -0.1892 4.4098 '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'
Ni Ni 0.3393 1.1124 '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'
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
C3 O7 Ni1 123.8(2) . 3_666
Dy1 O6 Dy1 117.64(11) . 3_666
C3 O6 Dy1 99.1(2) . .
C3 O6 Dy1 143.0(2) . 3_666
O6 Dy1 O6 62.36(11) . 3_666
O6 Dy1 Dy1 31.46(6) . 3_666
O6 Dy1 Dy1 30.90(6) 3_666 3_666
O6 Dy1 Ni1 126.70(6) . .
O6 Dy1 Ni1 64.43(6) 3_666 .
O6 Dy1 O1 80.74(9) . .
O6 Dy1 O1 94.45(9) 3_666 .
O6 Dy1 O5 85.04(9) . .
O6 Dy1 O5 93.00(9) 3_666 .
O6 Dy1 C3 89.45(10) 3_666 .
O6 Dy1 C3 27.18(10) . .
O6 Dy1 O8 116.54(9) 3_666 .
O6 Dy1 O8 54.29(9) . .
Ni1 Dy1 Dy1 95.295(10) . 3_666
O4 Dy1 O6 125.46(9) . .
O4 Dy1 O6 74.13(9) . 3_666
O4 Dy1 Dy1 100.09(6) . 3_666
O4 Dy1 Ni1 35.98(6) . .
O4 Dy1 O1 136.08(9) . .
O4 Dy1 O5 65.30(9) . .
O4 Dy1 C3 140.65(9) . .
O4 Dy1 O8 143.58(9) . .
O2 Dy1 O6 73.73(9) . 3_666
O2 Dy1 O6 121.28(9) . .
O2 Dy1 Dy1 97.82(7) . 3_666
O2 Dy1 Ni1 35.62(6) . .
O2 Dy1 O4 70.80(9) . .
O2 Dy1 O1 65.30(8) . .
O2 Dy1 O5 136.09(8) . .
O2 Dy1 C3 138.98(10) . .
O2 Dy1 O8 144.53(9) . .
O1 Dy1 Dy1 87.28(6) . 3_666
O1 Dy1 Ni1 100.59(6) . .
O1 Dy1 C3 79.50(9) . .
O5 Dy1 Dy1 88.89(6) . 3_666
O5 Dy1 Ni1 100.72(6) . .
O5 Dy1 O1 158.61(9) . .
O5 Dy1 C3 80.55(9) . .
O9 Dy1 O6 155.28(9) . 3_666
O9 Dy1 O6 140.14(9) . .
O9 Dy1 Dy1 168.56(7) . 3_666
O9 Dy1 Ni1 91.85(7) . .
O9 Dy1 O4 90.93(9) . .
O9 Dy1 O2 82.87(9) . .
O9 Dy1 O1 82.63(9) . .
O9 Dy1 O5 98.55(9) . .
O9 Dy1 C3 113.91(10) . .
O9 Dy1 O8 87.22(9) . .
C3 Dy1 Dy1 58.57(8) . 3_666
C3 Dy1 Ni1 153.87(8) . .
O8 Dy1 Dy1 85.69(6) . 3_666
O8 Dy1 Ni1 178.98(6) . .
O8 Dy1 O1 79.72(9) . .
O8 Dy1 O5 79.01(9) . .
O8 Dy1 C3 27.12(10) . .
O7 Ni1 Dy1 86.27(7) 3_666 .
O4 Ni1 O7 93.63(10) . 3_666
O4 Ni1 Dy1 41.25(7) . .
O4 Ni1 O11 88.00(10) . .
O2 Ni1 O7 91.19(10) . 3_666
O2 Ni1 Dy1 41.00(7) . .
O2 Ni1 O4 81.28(10) . .
O2 Ni1 O11 87.63(10) . .
O2 Ni1 N1 89.48(12) . .
O2 Ni1 N2 171.53(12) . .
O11 Ni1 O7 177.83(11) . 3_666
O11 Ni1 Dy1 94.02(7) . .
N1 Ni1 O7 89.73(12) . 3_666
N1 Ni1 Dy1 130.07(9) . .
N1 Ni1 O4 170.22(11) . .
N1 Ni1 O11 88.44(12) . .
N1 Ni1 N2 98.94(13) . .
N2 Ni1 O7 87.89(12) . 3_666
N2 Ni1 Dy1 130.53(10) . .
N2 Ni1 O4 90.37(12) . .
N2 Ni1 O11 93.54(12) . .
Ni1 O4 Dy1 102.78(10) . .
C18 O4 Dy1 123.5(2) . .
C18 O4 Ni1 126.5(2) . .
Ni1 O2 Dy1 103.38(10) . .
C2 O2 Dy1 124.7(2) . .
C2 O2 Ni1 128.3(2) . .
C0AA O1 Dy1 116.9(2) . .
C0AA O1 C1 116.2(3) . .
C1 O1 Dy1 126.9(2) . .
C17 O5 Dy1 116.5(2) . .
C17 O5 C19 115.4(3) . .
C19 O5 Dy1 127.8(2) . .
O1 C0AA C2 113.2(3) . .
C4 C0AA O1 124.4(3) . .
C4 C0AA C2 122.4(4) . .
C20 O11 Ni1 122.5(2) . .
C8 N1 Ni1 125.4(3) . .
C8 N1 C9 115.9(3) . .
C9 N1 Ni1 118.7(2) . .
O4 C18 C17 118.0(3) . .
O4 C18 C13 123.9(4) . .
C13 C18 C17 118.1(3) . .
C0AA C4 C5 119.3(4) . .
O3 C10 C11 111.1(4) . .
O3 C10 C9 111.9(4) . .
C11 C10 C9 114.9(4) . .
O2 C2 C0AA 118.3(3) . .
O2 C2 C7 123.8(3) . .
C0AA C2 C7 117.9(3) . .
C2 C7 C8 123.1(3) . .
C6 C7 C2 119.0(3) . .
C6 C7 C8 117.9(4) . .
C12 N2 Ni1 124.8(3) . .
C12 N2 C11 114.9(3) . .
C11 N2 Ni1 120.3(3) . .
C6 C5 C4 119.6(4) . .
C5 C6 C7 121.8(4) . .
N2 C12 C13 127.5(3) . .
C15 C14 C13 121.9(4) . .
O11 C20 C21 110.5(4) . .
O5 C17 C18 113.2(3) . .
C16 C17 O5 124.7(4) . .
C16 C17 C18 122.1(3) . .
C22 O9 Dy1 140.6(2) . .
C18 C13 C12 124.6(3) . .
C18 C13 C14 118.6(4) . .
C14 C13 C12 116.9(3) . .
C14 C15 C16 119.9(4) . .
N1 C8 C7 128.4(4) . .
C17 C16 C15 119.3(4) . .
N2 C11 C10 114.0(3) . .
N1 C9 C10 112.3(3) . .
O7 C3 O6 122.3(4) . .
O7 C3 Dy1 176.0(3) . .
O7 C3 O8 124.5(4) . .
O6 C3 Dy1 53.76(18) . .
O8 C3 O6 113.2(3) . .
O8 C3 Dy1 59.48(19) . .
O9 C22 C23 115.3(4) . .
O10 C22 O9 125.4(4) . .
O10 C22 C23 119.3(4) . .
C3 O8 Dy1 93.4(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O7 Ni1 2.107(3) 3_666
O7 C3 1.246(4) .
O6 Dy1 2.352(2) 3_666
O6 Dy1 2.315(2) .
O6 C3 1.311(4) .
Dy1 O6 2.352(2) 3_666
Dy1 Dy1 3.9934(9) 3_666
Dy1 Ni1 3.3919(10) .
Dy1 O4 2.293(2) .
Dy1 O2 2.287(3) .
Dy1 O1 2.497(2) .
Dy1 O5 2.493(2) .
Dy1 O9 2.226(3) .
Dy1 C3 2.835(4) .
Dy1 O8 2.446(3) .
Ni1 O7 2.107(3) 3_666
Ni1 O4 2.043(3) .
Ni1 O2 2.031(2) .
Ni1 O11 2.099(3) .
Ni1 N1 2.042(3) .
Ni1 N2 2.042(3) .
O4 C18 1.318(4) .
O2 C2 1.318(4) .
O1 C0AA 1.395(4) .
O1 C1 1.443(4) .
O5 C17 1.393(4) .
O5 C19 1.448(4) .
C0AA C4 1.376(5) .
C0AA C2 1.409(5) .
O11 C20 1.448(5) .
N1 C8 1.280(5) .
N1 C9 1.473(5) .
C18 C17 1.416(5) .
C18 C13 1.407(5) .
C4 C5 1.394(6) .
C10 O3 1.456(5) .
C10 C11 1.506(6) .
C10 C9 1.527(6) .
C2 C7 1.411(5) .
C7 C6 1.400(5) .
C7 C8 1.450(5) .
N2 C12 1.282(5) .
N2 C11 1.476(5) .
C5 C6 1.381(6) .
C12 C13 1.457(5) .
C14 C13 1.418(5) .
C14 C15 1.369(6) .
C20 C21 1.489(6) .
C17 C16 1.378(5) .
O9 C22 1.291(5) .
C15 C16 1.395(6) .
O10 C22 1.240(5) .
C3 O8 1.295(5) .
C22 C23 1.503(6) .
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
O7 C3 O8 Dy1 -179.2(3) .
O6 C3 O8 Dy1 1.7(3) .
Dy1 O6 C3 O7 6.5(6) 3_666
Dy1 O6 C3 O7 179.1(3) .
Dy1 O6 C3 Dy1 -172.6(4) 3_666
Dy1 O6 C3 O8 -1.8(3) .
Dy1 O6 C3 O8 -174.4(2) 3_666
Dy1 O4 C18 C17 18.8(5) .
Dy1 O4 C18 C13 -161.3(3) .
Dy1 O2 C2 C0AA -12.4(5) .
Dy1 O2 C2 C7 168.2(3) .
Dy1 O1 C0AA C4 -172.0(3) .
Dy1 O1 C0AA C2 6.9(4) .
Dy1 O5 C17 C18 -10.3(4) .
Dy1 O5 C17 C16 170.2(3) .
Dy1 O9 C22 O10 52.7(6) .
Dy1 O9 C22 C23 -129.8(4) .
Ni1 O7 C3 O6 -2.3(5) 3_666
Ni1 O7 C3 O8 178.7(3) 3_666
Ni1 O4 C18 C17 164.0(3) .
Ni1 O4 C18 C13 -16.1(5) .
Ni1 O2 C2 C0AA -167.5(3) .
Ni1 O2 C2 C7 13.1(5) .
Ni1 O11 C20 C21 -136.5(4) .
Ni1 N1 C8 C7 2.6(6) .
Ni1 N1 C9 C10 -41.1(5) .
Ni1 N2 C12 C13 4.7(6) .
Ni1 N2 C11 C10 31.5(5) .
O4 C18 C17 O5 -4.0(5) .
O4 C18 C17 C16 175.6(3) .
O4 C18 C13 C12 3.7(6) .
O4 C18 C13 C14 -177.2(4) .
O2 C2 C7 C6 177.3(3) .
O2 C2 C7 C8 -1.1(6) .
O1 C0AA C4 C5 179.5(4) .
O1 C0AA C2 O2 2.5(5) .
O1 C0AA C2 C7 -178.1(3) .
O5 C17 C16 C15 -178.0(4) .
C0AA C4 C5 C6 -0.9(6) .
C0AA C2 C7 C6 -2.1(5) .
C0AA C2 C7 C8 179.6(4) .
C18 C17 C16 C15 2.6(6) .
C4 C0AA C2 O2 -178.6(3) .
C4 C0AA C2 C7 0.8(6) .
C4 C5 C6 C7 -0.4(6) .
C2 C0AA C4 C5 0.7(6) .
C2 C7 C6 C5 1.9(6) .
C2 C7 C8 N1 -7.4(7) .
N2 C12 C13 C18 2.5(7) .
N2 C12 C13 C14 -176.6(4) .
C1 O1 C0AA C4 5.9(5) .
C1 O1 C0AA C2 -175.2(3) .
C6 C7 C8 N1 174.2(4) .
C12 N2 C11 C10 -145.2(4) .
C14 C15 C16 C17 0.8(7) .
C17 C18 C13 C12 -176.5(4) .
C17 C18 C13 C14 2.6(6) .
C13 C18 C17 O5 176.2(3) .
C13 C18 C17 C16 -4.3(6) .
C13 C14 C15 C16 -2.4(7) .
O3 C10 C11 N2 58.6(5) .
O3 C10 C9 N1 -52.4(5) .
C19 O5 C17 C18 175.8(3) .
C19 O5 C17 C16 -3.7(5) .
C15 C14 C13 C18 0.6(6) .
C15 C14 C13 C12 179.8(4) .
C8 N1 C9 C10 141.9(4) .
C8 C7 C6 C5 -179.6(4) .
C11 C10 C9 N1 75.6(5) .
C11 N2 C12 C13 -178.9(4) .
C9 N1 C8 C7 179.5(4) .
C9 C10 C11 N2 -69.8(5) .
