#------------------------------------------------------------------------------
#$Date: 2015-12-09 16:55:13 +0200 (Wed, 09 Dec 2015) $
#$Revision: 171250 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/71/7037146.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_7037146
loop_
_publ_author_name
'Li, Xiao-Lei'
'Li, Han'
'Chen, Di-Ming'
'Wang, Chao'
'Wu, Jianfeng'
'Tang, Jinkui'
'Shi, Wei'
'Cheng, Peng'
_publ_section_title
;
 Planar Dy3 + Dy3 clusters: design, structure and axial ligand perturbed
 magnetic dynamics.
;
_journal_issue                   47
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              20316
_journal_page_last               20320
_journal_paper_doi               10.1039/c5dt03931b
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C44 H54 Dy6 N14 O38, 10(O), 2(N O3)'
_chemical_formula_sum            'C44 H54 Dy6 N16 O54'
_chemical_formula_weight         2646.03
_chemical_name_systematic        lixl-Dy6-NO3
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_date             2015-05-26
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_audit_update_record
;
2015-08-18 deposited with the CCDC.
2015-10-20 downloaded from the CCDC.
;
_cell_angle_alpha                100.954(2)
_cell_angle_beta                 100.243(2)
_cell_angle_gamma                109.293(2)
_cell_formula_units_Z            1
_cell_length_a                   10.7890(11)
_cell_length_b                   12.7071(13)
_cell_length_c                   16.9727(18)
_cell_measurement_reflns_used    5464
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      26.09
_cell_measurement_theta_min      2.43
_cell_volume                     2082.3(4)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.948
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0309
_diffrn_reflns_av_unetI/netI     0.0567
_diffrn_reflns_laue_measured_fraction_full 0.948
_diffrn_reflns_laue_measured_fraction_max 0.948
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11482
_diffrn_reflns_point_group_measured_fraction_full 0.948
_diffrn_reflns_point_group_measured_fraction_max 0.948
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.762
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    5.427
_exptl_absorpt_correction_T_max  0.581
_exptl_absorpt_correction_T_min  0.283
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   (sadabs;bruker,2000)
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.110
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1258
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.984
_refine_diff_density_min         -1.509
_refine_diff_density_rms         0.217
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     558
_refine_ls_number_reflns         6956
_refine_ls_number_restraints     73
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0605
_refine_ls_R_factor_gt           0.0457
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0765P)²+8.7372P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1271
_refine_ls_wR_factor_ref         0.1393
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5452
_reflns_number_total             6956
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt03931b2.cif
_cod_data_source_block           lixl-Dy6-NO3
_cod_depositor_comments
'Adding full bibliography for 7037146--7037147.cif.'
_cod_database_code               7037146
_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.
;
_shelx_estimated_absorpt_t_max   0.613
_shelx_estimated_absorpt_t_min   0.293
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 H7-O7
 0.9 with sigma of 0.02
 H7-Dy3
 2.9 with sigma of 0.02
 H7-Dy2
 2.9 with sigma of 0.02
 H3-Dy2
 2.9 with sigma of 0.02
 H3-O3
 0.9 with sigma of 0.02
 O14-O15 \\sim O15-O16
 with sigma of 0.01
 O15-N6 \\sim O16-N6 \\sim O14-N6
 with sigma of 0.01
 O22-O20 \\sim O20-O21
 with sigma of 0.02
 O20-O21 \\sim O20-O22 \\sim O22-O21
 with sigma of 0.01
3. Rigid bond restraints
 O14, O15, O16, N6
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 O20, O21, O22, N8
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
4. Uiso/Uaniso restraints and constraints
O20 \\sim O21 \\sim O22 \\sim N8: within 1.7A with sigma of 0.04 and sigma for
terminal atoms of 0.08
O14 \\sim O15 \\sim O16 \\sim N6: within 1.7A with sigma of 0.04 and sigma for
terminal atoms of 0.08
Uanis(O26) \\sim Ueq, Uanis(O27) \\sim Ueq, Uanis(O27) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
5.a Rotating group:
 O8(H8A,H8B), O9(H9A,H9B), O10(H10A,H10B)
5.b Aromatic/amide H refined with riding coordinates:
 C3(H3A), C4(H4), C5(H5), C8(H8), C9(H9), C11(H11), C12(H12), C14(H14),
 C15(H15), C17(H17), C18(H18), C19(H19)
5.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C22(H22A,H22B,H22C)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.29408(5) 0.24385(4) 0.28488(3) 0.02978(15) Uani 1 1 d . . . .
Dy2 Dy 0.38581(5) 0.01547(4) 0.19676(3) 0.02663(15) Uani 1 1 d D . . .
Dy3 Dy 0.41015(5) 0.24449(4) 0.10424(3) 0.02579(15) Uani 1 1 d D . . .
O1 O 0.1821(9) 0.1736(7) 0.3914(5) 0.046(2) Uani 1 1 d . . . .
O2 O 0.3214(8) 0.0786(6) 0.3142(4) 0.0347(18) Uani 1 1 d . . . .
O3 O 0.4446(7) 0.0744(6) 0.0851(4) 0.0260(15) Uani 1 1 d D . . .
H3 H 0.498(17) 0.052(14) 0.057(8) 0.15(9) Uiso 1 1 d D . . .
O4 O 0.3203(8) 0.3511(6) 0.1855(4) 0.0339(17) Uani 1 1 d . . . .
O5 O 0.2688(9) 0.4334(7) 0.3236(4) 0.0415(19) Uani 1 1 d . . . .
O6 O 0.4787(8) 0.2333(6) 0.2408(4) 0.0287(16) Uani 1 1 d . . . .
H6 H 0.563(13) 0.281(10) 0.275(7) 0.04(3) Uiso 1 1 d . . . .
O7 O 0.2507(6) 0.1164(6) 0.1606(4) 0.0253(14) Uani 1 1 d D . . .
H7 H 0.1665(15) 0.082(3) 0.129(3) 0.02(3) Uiso 1 1 d D . . .
O8 O 0.4643(9) 0.3437(8) 0.4090(5) 0.053(2) Uani 1 1 d . . . .
H8A H 0.5134 0.3037 0.4192 0.079 Uiso 1 1 d GR . . .
H8B H 0.4285 0.3550 0.4500 0.079 Uiso 1 1 d GR . . .
O9 O 0.0594(8) 0.2028(8) 0.2336(5) 0.049(2) Uani 1 1 d . . . .
H9A H 0.0489 0.2485 0.2037 0.073 Uiso 1 1 d GR . . .
H9B H 0.0232 0.2128 0.2744 0.073 Uiso 1 1 d GR . . .
O10 O 0.6247(8) 0.0795(8) 0.2600(6) 0.055(2) Uani 1 1 d . . . .
H10A H 0.6605 0.1551 0.2839 0.082 Uiso 1 1 d GR . . .
H10B H 0.6690 0.0652 0.2226 0.082 Uiso 1 1 d GR . . .
O11 O 0.2019(9) -0.1225(8) 0.0671(5) 0.053(2) Uani 1 1 d . . . .
O12 O 0.1563(9) -0.1357(8) 0.1814(6) 0.052(2) Uani 1 1 d . . . .
O13 O 0.0137(11) -0.2497(10) 0.0677(7) 0.079(3) Uani 1 1 d . . . .
O14 O 0.2084(9) 0.1378(8) -0.0079(5) 0.057(2) Uani 1 1 d D U . .
O15 O 0.0286(18) 0.0658(19) 0.0304(10) 0.224(12) Uani 1 1 d D U A -1
O16 O 0.0306(18) 0.021(2) -0.0971(9) 0.241(13) Uani 1 1 d D U . .
O17 O 0.6640(8) 0.2964(7) 0.1329(5) 0.0417(19) Uani 1 1 d . . . .
O18 O 0.6003(9) 0.4391(7) 0.1362(5) 0.045(2) Uani 1 1 d . . . .
O19 O 0.8090(9) 0.4622(10) 0.1373(7) 0.073(3) Uani 1 1 d . . . .
N1 N 0.4242(10) -0.1072(8) 0.2947(5) 0.036(2) Uani 1 1 d . . . .
N2 N 0.4528(9) -0.1491(8) 0.1392(5) 0.032(2) Uani 1 1 d . . . .
N3 N 0.4754(9) 0.2418(7) -0.0322(5) 0.029(2) Uani 1 1 d . . . .
N4 N 0.3406(9) 0.3762(7) 0.0222(5) 0.0280(19) Uani 1 1 d . . . .
N5 N 0.1175(11) -0.1731(9) 0.1040(7) 0.046(3) Uani 1 1 d . . . .
N6 N 0.0904(11) 0.0713(16) -0.0236(8) 0.121(6) Uani 1 1 d D U . .
N7 N 0.6963(10) 0.4006(9) 0.1355(6) 0.042(2) Uani 1 1 d . . . .
C1 C 0.0820(15) 0.2058(14) 0.4218(9) 0.064(4) Uani 1 1 d . . . .
H1A H 0.1230 0.2590 0.4761 0.097 Uiso 1 1 calc GR . . .
H1B H 0.0116 0.1381 0.4251 0.097 Uiso 1 1 calc GR . . .
H1C H 0.0436 0.2421 0.3849 0.097 Uiso 1 1 calc GR . . .
C2 C 0.2219(11) 0.0957(9) 0.4261(7) 0.034(2) Uani 1 1 d . . . .
C3 C 0.1969(13) 0.0699(12) 0.4977(8) 0.047(3) Uani 1 1 d . . . .
H3A H 0.1488 0.1047 0.5266 0.056 Uiso 1 1 calc R . . .
C4 C 0.2437(15) -0.0087(12) 0.5276(8) 0.056(4) Uani 1 1 d . . . .
H4 H 0.2304 -0.0235 0.5777 0.067 Uiso 1 1 calc R . . .
C5 C 0.3090(15) -0.0642(13) 0.4834(8) 0.059(4) Uani 1 1 d . . . .
H5 H 0.3376 -0.1179 0.5034 0.071 Uiso 1 1 calc R . . .
C6 C 0.3345(12) -0.0412(10) 0.4065(7) 0.037(3) Uani 1 1 d . . . .
C7 C 0.2933(11) 0.0427(9) 0.3795(6) 0.028(2) Uani 1 1 d . . . .
C8 C 0.4006(12) -0.1065(10) 0.3673(7) 0.040(3) Uani 1 1 d . . . .
H8 H 0.4298 -0.1532 0.3958 0.048 Uiso 1 1 calc R . . .
C9 C 0.4893(10) -0.1804(9) 0.2706(6) 0.026(2) Uani 1 1 d . . . .
H9 H 0.5259 -0.2127 0.3089 0.031 Uiso 1 1 calc R . . .
C10 C 0.5002(11) -0.2053(9) 0.1915(6) 0.030(2) Uani 1 1 d . . . .
C11 C 0.5321(11) 0.1725(9) -0.0627(6) 0.028(2) Uani 1 1 d . . . .
H11 H 0.5656 0.1356 -0.0267 0.034 Uiso 1 1 calc R . . .
C12 C 0.4423(12) 0.2815(10) -0.1646(6) 0.039(3) Uani 1 1 d . . . .
H12 H 0.4148 0.3229 -0.1991 0.046 Uiso 1 1 calc R . . .
C13 C 0.4261(12) 0.2955(9) -0.0858(6) 0.032(2) Uani 1 1 d . . . .
C14 C 0.3622(11) 0.3640(8) -0.0567(5) 0.025(2) Uani 1 1 d . . . .
H14 H 0.3317 0.4044 -0.0909 0.031 Uiso 1 1 calc R . . .
C15 C 0.2797(11) 0.4423(9) 0.0393(6) 0.032(2) Uani 1 1 d . . . .
H15 H 0.2499 0.4713 -0.0036 0.038 Uiso 1 1 calc R . . .
C16 C 0.2493(11) 0.4800(9) 0.1176(7) 0.034(2) Uani 1 1 d . . . .
C17 C 0.1879(14) 0.5608(11) 0.1225(8) 0.051(3) Uani 1 1 d . . . .
H17 H 0.1695 0.5888 0.0767 0.061 Uiso 1 1 calc R . . .
C18 C 0.1542(15) 0.6001(11) 0.1934(8) 0.051(3) Uani 1 1 d . . . .
H18 H 0.1118 0.6531 0.1948 0.061 Uiso 1 1 calc R . . .
C19 C 0.1820(14) 0.5625(11) 0.2613(8) 0.047(3) Uani 1 1 d . . . .
H19 H 0.1623 0.5920 0.3099 0.056 Uiso 1 1 calc R . . .
C20 C 0.2391(13) 0.4813(10) 0.2581(7) 0.040(3) Uani 1 1 d . . . .
C21 C 0.2745(11) 0.4377(10) 0.1863(6) 0.033(3) Uani 1 1 d . . . .
C22 C 0.2438(15) 0.4790(12) 0.3997(7) 0.055(3) Uani 1 1 d . . . .
H22A H 0.1478 0.4590 0.3924 0.082 Uiso 1 1 calc GR . . .
H22B H 0.2893 0.5617 0.4165 0.082 Uiso 1 1 calc GR . . .
H22C H 0.2776 0.4470 0.4418 0.082 Uiso 1 1 calc GR . . .
O25 O 0.8292(15) 0.0119(14) 0.2192(9) 0.122(5) Uani 1 1 d . . . .
O24 O 0.7030(9) 0.0620(8) 0.0806(6) 0.056(2) Uani 1 1 d . . . .
O20 O 0.6218(15) 0.5915(13) 0.4410(7) 0.113(5) Uani 1 1 d D U . .
O21 O 0.5197(16) 0.6998(13) 0.4199(10) 0.147(6) Uani 1 1 d D U . .
O22 O 0.618(2) 0.650(2) 0.3347(10) 0.215(10) Uani 1 1 d D U . .
N8 N 0.5903(14) 0.6497(13) 0.3977(8) 0.078(4) Uani 1 1 d . U . .
O26 O 0.075(3) 0.147(3) 0.729(2) 0.285(14) Uani 1 1 d . U . .
O23 O 0.9368(9) 0.2738(8) 0.1111(6) 0.058(2) Uani 1 1 d . . . .
O27 O 0.769(3) 0.304(3) 0.394(2) 0.291(15) 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'
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
Dy3 Dy1 Dy2 60.022(13) . .
O1 Dy1 Dy2 103.66(18) . .
O1 Dy1 Dy3 161.1(2) . .
O1 Dy1 O5 92.2(2) . .
O2 Dy1 Dy2 40.51(15) . .
O2 Dy1 Dy3 100.34(15) . .
O2 Dy1 O1 64.8(2) . .
O2 Dy1 O4 140.9(2) . .
O2 Dy1 O5 153.2(2) . .
O2 Dy1 O9 109.1(3) . .
O4 Dy1 Dy2 100.38(16) . .
O4 Dy1 Dy3 40.56(16) . .
O4 Dy1 O1 151.9(2) . .
O4 Dy1 O5 65.0(2) . .
O4 Dy1 O9 84.1(3) . .
O5 Dy1 Dy2 163.93(18) . .
O5 Dy1 Dy3 104.73(17) . .
O6 Dy1 Dy2 45.46(18) . .
O6 Dy1 Dy3 41.42(17) . .
O6 Dy1 O1 134.5(2) . .
O6 Dy1 O2 74.1(2) . .
O6 Dy1 O4 73.3(2) . .
O6 Dy1 O5 120.2(3) . .
O6 Dy1 O8 80.4(3) . .
O6 Dy1 O9 141.2(3) . .
O7 Dy1 Dy2 40.27(16) . .
O7 Dy1 Dy3 43.12(16) . .
O7 Dy1 O1 118.5(3) . .
O7 Dy1 O2 73.5(2) . .
O7 Dy1 O4 72.9(2) . .
O7 Dy1 O5 132.5(2) . .
O7 Dy1 O6 63.5(2) . .
O7 Dy1 O8 141.5(3) . .
O7 Dy1 O9 80.0(3) . .
O8 Dy1 Dy2 104.3(2) . .
O8 Dy1 Dy3 114.5(2) . .
O8 Dy1 O1 77.2(3) . .
O8 Dy1 O2 84.6(3) . .
O8 Dy1 O4 110.6(3) . .
O8 Dy1 O5 76.5(3) . .
O8 Dy1 O9 137.8(3) . .
O9 Dy1 Dy2 111.8(2) . .
O9 Dy1 Dy3 102.3(2) . .
O9 Dy1 O1 73.7(3) . .
O9 Dy1 O5 74.8(3) . .
Dy3 Dy2 Dy1 59.835(14) . .
O2 Dy2 Dy1 41.19(16) . .
O2 Dy2 Dy3 100.83(16) . .
O2 Dy2 O6 70.4(2) . .
O2 Dy2 O7 73.2(2) . .
O2 Dy2 O10 97.7(3) . .
O2 Dy2 O11 118.9(3) . .
O2 Dy2 O12 75.2(3) . .
O2 Dy2 N1 73.3(3) . .
O2 Dy2 N2 136.7(2) . .
O3 Dy2 Dy1 99.46(16) . .
O3 Dy2 Dy3 39.63(16) . .
O3 Dy2 O2 140.4(2) . .
O3 Dy2 O6 73.7(2) . .
O3 Dy2 O7 74.4(2) . .
O3 Dy2 O10 87.0(3) . .
O3 Dy2 O11 72.9(3) . .
O3 Dy2 O12 121.0(3) . .
O3 Dy2 N1 143.3(3) . .
O3 Dy2 N2 82.6(2) . .
O6 Dy2 Dy1 40.26(15) . .
O6 Dy2 Dy3 41.85(15) . .
O6 Dy2 O11 128.7(3) . .
O6 Dy2 N1 123.2(3) . .
O7 Dy2 Dy1 39.27(16) . .
O7 Dy2 Dy3 43.13(16) . .
O7 Dy2 O6 59.2(2) . .
O7 Dy2 O10 131.5(3) . .
O7 Dy2 O11 74.9(3) . .
O7 Dy2 O12 80.8(2) . .
O7 Dy2 N1 142.0(3) . .
O7 Dy2 N2 142.6(2) . .
O10 Dy2 Dy1 104.4(2) . .
O10 Dy2 Dy3 95.9(2) . .
O10 Dy2 O6 72.7(3) . .
O10 Dy2 O11 141.4(3) . .
O10 Dy2 O12 144.3(3) . .
O10 Dy2 N1 70.8(3) . .
O10 Dy2 N2 74.8(3) . .
O11 Dy2 Dy1 111.0(2) . .
O11 Dy2 Dy3 89.1(2) . .
O12 Dy2 Dy1 93.0(2) . .
O12 Dy2 Dy3 119.74(19) . .
O12 Dy2 O6 132.8(2) . .
O12 Dy2 O11 49.1(3) . .
O12 Dy2 N1 73.7(3) . .
N1 Dy2 Dy1 113.9(2) . .
N1 Dy2 Dy3 164.1(2) . .
N1 Dy2 O11 106.7(3) . .
N2 Dy2 Dy1 177.80(18) . .
N2 Dy2 Dy3 122.18(18) . .
N2 Dy2 O6 140.4(3) . .
N2 Dy2 O11 70.3(3) . .
N2 Dy2 O12 86.6(3) . .
N2 Dy2 N1 63.9(3) . .
Dy1 Dy3 Dy2 60.143(13) . .
O3 Dy3 Dy1 99.72(16) . .
O3 Dy3 Dy2 39.58(16) . .
O3 Dy3 O4 141.0(2) . .
O3 Dy3 O6 77.0(2) . .
O3 Dy3 O7 72.4(2) . .
O3 Dy3 O14 84.9(3) . .
O3 Dy3 O17 73.1(2) . .
O3 Dy3 O18 123.0(3) . .
O3 Dy3 N3 81.7(2) . .
O3 Dy3 N4 141.4(2) . .
O4 Dy3 Dy1 41.75(16) . .
O4 Dy3 Dy2 101.68(16) . .
O4 Dy3 O6 73.1(2) . .
O4 Dy3 O7 71.2(2) . .
O4 Dy3 O14 97.9(3) . .
O4 Dy3 O17 120.9(3) . .
O4 Dy3 O18 82.2(3) . .
O4 Dy3 N3 136.2(2) . .
O4 Dy3 N4 72.3(2) . .
O6 Dy3 Dy1 40.00(16) . .
O6 Dy3 Dy2 45.63(18) . .
O6 Dy3 O7 60.3(2) . .
O6 Dy3 O14 133.7(3) . .
O6 Dy3 O17 74.8(2) . .
O6 Dy3 O18 90.7(3) . .
O6 Dy3 N3 144.2(2) . .
O6 Dy3 N4 141.6(2) . .
O7 Dy3 Dy1 39.85(15) . .
O7 Dy3 Dy2 40.88(15) . .
O7 Dy3 O17 127.9(2) . .
O7 Dy3 O18 144.9(2) . .
O7 Dy3 N3 137.9(3) . .
O7 Dy3 N4 121.4(2) . .
O14 Dy3 Dy1 104.5(2) . .
O14 Dy3 Dy2 95.50(19) . .
O14 Dy3 O7 73.7(2) . .
O14 Dy3 O17 139.2(3) . .
O14 Dy3 O18 134.0(3) . .
O14 Dy3 N3 71.4(3) . .
O14 Dy3 N4 67.9(3) . .
O17 Dy3 Dy1 112.75(18) . .
O17 Dy3 Dy2 89.05(16) . .
O17 Dy3 N3 71.6(3) . .
O17 Dy3 N4 109.9(3) . .
O18 Dy3 Dy1 105.27(19) . .
O18 Dy3 Dy2 129.80(18) . .
O18 Dy3 O17 50.1(3) . .
O18 Dy3 N3 77.2(3) . .
O18 Dy3 N4 68.5(3) . .
N3 Dy3 Dy1 175.60(19) . .
N3 Dy3 Dy2 121.22(18) . .
N3 Dy3 N4 64.3(2) . .
N4 Dy3 Dy1 112.95(17) . .
N4 Dy3 Dy2 160.68(19) . .
C1 O1 Dy1 127.0(7) . .
C2 O1 Dy1 117.4(6) . .
C2 O1 C1 115.6(9) . .
Dy2 O2 Dy1 98.3(2) . .
C7 O2 Dy1 123.4(6) . .
C7 O2 Dy2 138.1(6) . .
Dy2 O3 Dy3 100.8(3) . .
Dy3 O4 Dy1 97.7(2) . .
C21 O4 Dy1 121.5(6) . .
C21 O4 Dy3 140.5(6) . .
C20 O5 Dy1 116.3(6) . .
C20 O5 C22 116.5(9) . .
C22 O5 Dy1 124.7(7) . .
Dy1 O6 Dy2 94.3(3) . .
Dy1 O6 Dy3 98.6(3) . .
Dy3 O6 Dy2 92.5(3) . .
Dy1 O7 Dy2 100.5(2) . .
Dy1 O7 Dy3 97.0(2) . .
Dy2 O7 Dy3 96.0(2) . .
N5 O11 Dy2 97.3(7) . .
N5 O12 Dy2 99.9(7) . .
N6 O14 Dy3 142.8(8) . .
N7 O17 Dy3 97.3(6) . .
N7 O18 Dy3 96.3(6) . .
C8 N1 Dy2 130.1(7) . .
C8 N1 C9 113.8(8) . .
C9 N1 Dy2 115.9(6) . .
C10 N2 Dy2 119.9(6) . .
C11 N2 Dy2 123.0(6) 2_655 .
C11 N2 C10 116.1(8) 2_655 .
C11 N3 Dy3 122.8(6) . .
C11 N3 C13 115.9(8) . .
C13 N3 Dy3 119.9(6) . .
C14 N4 Dy3 115.3(5) . .
C15 N4 Dy3 130.0(6) . .
C15 N4 C14 114.3(8) . .
O12 N5 O11 113.7(11) . .
O13 N5 O11 122.1(12) . .
O13 N5 O12 124.1(11) . .
O14 N6 O15 120.8(9) . .
O14 N6 O16 117.8(15) . .
O15 N6 O16 120.8(10) . .
O17 N7 O18 115.4(10) . .
O19 N7 O17 123.1(11) . .
O19 N7 O18 121.5(11) . .
O1 C2 C7 113.4(9) . .
C3 C2 O1 124.9(10) . .
C3 C2 C7 121.7(10) . .
C2 C3 C4 119.9(10) . .
C5 C4 C3 120.2(11) . .
C4 C5 C6 121.4(12) . .
C7 C6 C5 117.7(10) . .
C7 C6 C8 127.3(9) . .
C8 C6 C5 115.0(10) . .
O2 C7 C2 117.7(9) . .
O2 C7 C6 123.3(8) . .
C6 C7 C2 118.9(8) . .
N1 C8 C6 125.8(10) . .
C10 C9 N1 120.5(8) . .
C9 C10 N2 117.2(9) . .
C9 C10 C12 121.9(9) . 2_655
C12 C10 N2 120.9(9) 2_655 .
N3 C11 N2 127.2(8) . 2_655
C10 C12 C13 118.3(9) 2_655 .
C12 C13 N3 121.4(9) . .
C14 C13 N3 117.1(9) . .
C14 C13 C12 121.5(9) . .
C13 C14 N4 122.3(8) . .
N4 C15 C16 128.5(9) . .
C17 C16 C15 117.3(9) . .
C17 C16 C21 118.7(10) . .
C21 C16 C15 124.0(9) . .
C18 C17 C16 121.3(11) . .
C19 C18 C17 120.6(11) . .
C18 C19 C20 119.7(10) . .
O5 C20 C21 113.6(9) . .
C19 C20 O5 124.8(10) . .
C19 C20 C21 121.6(10) . .
O4 C21 C16 123.6(9) . .
O4 C21 C20 118.1(9) . .
C16 C21 C20 118.1(9) . .
O21 N8 O20 117.0(13) . .
O22 N8 O20 121.4(14) . .
O22 N8 O21 121.3(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 Dy2 3.5232(7) .
Dy1 Dy3 3.5123(7) .
Dy1 O1 2.490(7) .
Dy1 O2 2.345(7) .
Dy1 O4 2.360(6) .
Dy1 O5 2.491(7) .
Dy1 O6 2.283(7) .
Dy1 O7 2.268(6) .
Dy1 O8 2.343(8) .
Dy1 O9 2.369(8) .
Dy2 Dy3 3.5189(7) .
Dy2 O2 2.313(6) .
Dy2 O3 2.283(6) .
Dy2 O6 2.518(7) .
Dy2 O7 2.316(6) .
Dy2 O10 2.399(8) .
Dy2 O11 2.557(9) .
Dy2 O12 2.514(9) .
Dy2 N1 2.556(8) .
Dy2 N2 2.514(8) .
Dy3 O3 2.285(6) .
Dy3 O4 2.305(6) .
Dy3 O6 2.350(7) .
Dy3 O7 2.419(6) .
Dy3 O14 2.407(9) .
Dy3 O17 2.526(8) .
Dy3 O18 2.522(8) .
Dy3 N3 2.535(8) .
Dy3 N4 2.577(8) .
O1 C1 1.418(13) .
O1 C2 1.388(13) .
O2 C7 1.322(11) .
O4 C21 1.346(11) .
O5 C20 1.402(12) .
O5 C22 1.422(13) .
O11 N5 1.267(13) .
O12 N5 1.249(13) .
O13 N5 1.178(14) .
O14 N6 1.220(10) .
O15 N6 1.226(10) .
O16 N6 1.232(10) .
O17 N7 1.243(12) .
O18 N7 1.284(12) .
O19 N7 1.200(13) .
N1 C8 1.301(13) .
N1 C9 1.384(12) .
N2 C10 1.371(12) .
N2 C11 1.328(12) 2_655
N3 C11 1.309(12) .
N3 C13 1.370(12) .
N4 C14 1.390(11) .
N4 C15 1.251(12) .
C2 C3 1.367(15) .
C2 C7 1.425(14) .
C3 C4 1.394(17) .
C4 C5 1.367(17) .
C5 C6 1.444(15) .
C6 C7 1.405(14) .
C6 C8 1.410(15) .
C9 C10 1.355(13) .
C10 C12 1.364(14) 2_655
C11 N2 1.328(12) 2_655
C12 C10 1.364(14) 2_655
C12 C13 1.367(14) .
C13 C14 1.353(13) .
C15 C16 1.455(14) .
C16 C17 1.392(14) .
C16 C21 1.395(14) .
C17 C18 1.370(16) .
C18 C19 1.352(16) .
C19 C20 1.364(15) .
C20 C21 1.410(14) .
O20 N8 1.218(15) .
O21 N8 1.208(17) .
O22 N8 1.163(17) .
