#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:27:55 +0100 (vie 25 de mar de 2016) $
#$Revision: 180080 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/26/7052655.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_7052655
loop_
_publ_author_name
'Borta, Ana'
'Jeanneau, Erwann'
'Chumakov, Yuri'
'Luneau, Dominique'
'Ungur, Liviu'
'Chibotaru, Liviu F.'
'Wernsdorfer, Wolfgang'
_publ_section_related_literature
;
?
;
_publ_section_title
;
 Synthesis, structure, magnetism and theoretical study of a series of
 complexes with a decanuclear core [Ln(iii)2Cu(ii)8] (Ln = Y, Gd, Tb,
 Dy)
;
_journal_issue                   6
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1270
_journal_paper_doi               10.1039/c0nj00931h
_journal_volume                  35
_journal_year                    2011
_chemical_formula_moiety         'C60 H52 Cl6 Cu8 Dy2 N12 O16,(H2 O)9.4'
_chemical_formula_sum            'C60 H70.8 Cl6 Cu8 Dy2 N12 O25.4'
_chemical_formula_weight         2412.55
_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
_audit_creation_date             11-01-28
_audit_creation_method           CRYSTALS_ver_14.11
_cell_angle_alpha                90
_cell_angle_beta                 96.7790(10)
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   16.6165(13)
_cell_length_b                   19.3662(15)
_cell_length_c                   45.961(4)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    293
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     14687(2)
_computing_cell_refinement       'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2001).'
_computing_data_reduction        'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.805
_diffrn_measurement_device       Area
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.109
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       61
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_theta_full        25.043
_diffrn_reflns_theta_max         28.458
_diffrn_reflns_theta_min         2.505
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.423
_exptl_absorpt_correction_T_max  0.66
_exptl_absorpt_correction_T_min  0.64
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.632
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             7098
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.120
_platon_squeeze_details
;
;
_refine_diff_density_max         1.80
_refine_diff_density_min         -1.30
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.1696
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1405
_refine_ls_number_reflns         29818
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0834
_refine_ls_R_factor_gt           0.0449
_refine_ls_shift/su_max          0.0018172
_refine_ls_shift/su_mean         0.0000620
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982)
[weight] = 1.0/[A₀*T₀(x)+A₁*T₁(x) ... +Aₙ₋₁]*Tₙ₋₁(x)]
where Ai are the Chebychev coefficients listed below and x= Fcalc/Fmax
Method = Robust Weighting (Prince, 1982)
W = [weight] * [1-(deltaF/6*sigmaF)²]²
Ai are:
0.149E+04 0.230E+04 0.122E+04 429. 107.
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1484
_refine_ls_wR_factor_gt          0.0860
_refine_ls_wR_factor_ref         0.1484
_reflns_limit_h_max              21
_reflns_limit_h_min              -21
_reflns_limit_k_max              25
_reflns_limit_k_min              0
_reflns_limit_l_max              61
_reflns_limit_l_min              0
_reflns_number_gt                15998
_reflns_number_total             30053
_reflns_threshold_expression     I>2.0σ(I)
_oxford_diffrn_Wilson_B_factor   2.90
_oxford_diffrn_Wilson_scale      1.19
_oxford_refine_ls_r_factor_ref   0.0834
_oxford_refine_ls_scale          1.0465(17)
_oxford_reflns_number_all        29818
_oxford_reflns_threshold_expression_ref I>-10.0\s(I)
_oxford_structure_analysis_title abg_dy
_cod_data_source_file            c0nj00931h.txt
_cod_data_source_block           CuDy
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 1 21/n 1 '
_cod_database_code               7052655
#BEGIN Tags that were not found in dictionaries:
_iucr_refine_instruction_details_constraints
;
BLOCK SCALE X'S, U'S
RIDE C ( 1,X'S) H ( 1,X'S)
RIDE C ( 2,X'S) H ( 2,X'S)
RIDE C ( 3,X'S) H ( 3,X'S)
RIDE C ( 4,X'S) H ( 4,X'S)
RIDE C ( 6,X'S) H ( 6,X'S)
RIDE C ( 7,X'S) H ( 7,X'S)
RIDE C ( 8,X'S) H ( 8,X'S)
RIDE C ( 9,X'S) H ( 9,X'S)
RIDE C ( 11,X'S) H ( 11,X'S)
RIDE C ( 12,X'S) H ( 12,X'S)
RIDE C ( 13,X'S) H ( 13,X'S)
RIDE C ( 14,X'S) H ( 14,X'S)
RIDE C ( 16,X'S) H ( 16,X'S)
RIDE C ( 17,X'S) H ( 17,X'S)
RIDE C ( 18,X'S) H ( 18,X'S)
RIDE C ( 19,X'S) H ( 19,X'S)
RIDE C ( 21,X'S) H ( 21,X'S)
RIDE C ( 22,X'S) H ( 22,X'S)
RIDE C ( 23,X'S) H ( 23,X'S)
RIDE C ( 24,X'S) H ( 24,X'S)
RIDE C ( 26,X'S) H ( 26,X'S)
RIDE C ( 27,X'S) H ( 27,X'S)
RIDE C ( 28,X'S) H ( 28,X'S)
RIDE C ( 29,X'S) H ( 29,X'S)
RIDE C ( 31,X'S) H ( 31,X'S)
RIDE C ( 32,X'S) H ( 32,X'S)
RIDE C ( 33,X'S) H ( 33,X'S)
RIDE C ( 34,X'S) H ( 34,X'S)
RIDE C ( 36,X'S) H ( 36,X'S)
RIDE C ( 37,X'S) H ( 37,X'S)
RIDE C ( 38,X'S) H ( 38,X'S)
RIDE C ( 39,X'S) H ( 39,X'S)
RIDE C ( 41,X'S) H ( 41,X'S)
RIDE C ( 42,X'S) H ( 42,X'S)
RIDE C ( 43,X'S) H ( 43,X'S)
RIDE C ( 44,X'S) H ( 44,X'S)
RIDE C ( 46,X'S) H ( 46,X'S)
RIDE C ( 47,X'S) H ( 47,X'S)
RIDE C ( 48,X'S) H ( 48,X'S)
RIDE C ( 49,X'S) H ( 49,X'S)
RIDE C ( 51,X'S) H ( 51,X'S)
RIDE C ( 52,X'S) H ( 52,X'S)
RIDE C ( 53,X'S) H ( 53,X'S)
RIDE C ( 54,X'S) H ( 54,X'S)
RIDE C ( 56,X'S) H ( 56,X'S)
RIDE C ( 57,X'S) H ( 57,X'S)
RIDE C ( 58,X'S) H ( 58,X'S)
RIDE C ( 59,X'S) H ( 59,X'S)
RIDE C ( 61,X'S) H ( 61,X'S)
RIDE C ( 62,X'S) H ( 62,X'S)
RIDE C ( 63,X'S) H ( 63,X'S)
RIDE C ( 64,X'S) H ( 64,X'S)
RIDE C ( 66,X'S) H ( 66,X'S)
RIDE C ( 67,X'S) H ( 67,X'S)
RIDE C ( 68,X'S) H ( 68,X'S)
RIDE C ( 69,X'S) H ( 69,X'S)
RIDE C ( 71,X'S) H ( 71,X'S)
RIDE C ( 72,X'S) H ( 72,X'S)
RIDE C ( 73,X'S) H ( 73,X'S)
RIDE C ( 74,X'S) H ( 74,X'S)
RIDE C ( 76,X'S) H ( 76,X'S)
RIDE C ( 77,X'S) H ( 77,X'S)
RIDE C ( 78,X'S) H ( 78,X'S)
RIDE C ( 79,X'S) H ( 79,X'S)
RIDE C ( 81,X'S) H ( 81,X'S)
RIDE C ( 82,X'S) H ( 82,X'S)
RIDE C ( 83,X'S) H ( 83,X'S)
RIDE C ( 84,X'S) H ( 84,X'S)
RIDE C ( 86,X'S) H ( 86,X'S)
RIDE C ( 87,X'S) H ( 87,X'S)
RIDE C ( 88,X'S) H ( 88,X'S)
RIDE C ( 89,X'S) H ( 89,X'S)
RIDE O ( 24,X'S) H ( 242,X'S) H ( 241,X'S)
RIDE O ( 15,X'S) H ( 151,X'S) H ( 152,X'S)
RIDE O ( 16,X'S) H ( 162,X'S) H ( 161,X'S)
END
;
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
-x+1/2,y+1/2,-z+1/2
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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Cu1 Cu 0.55126(7) -0.06892(7) 0.22467(2) 0.0478 1.0000 Uani . . . . . .
Cu2 Cu 0.48307(7) -0.05003(7) 0.28386(2) 0.0486 1.0000 Uani . . . . . .
Cu3 Cu 0.51219(8) 0.17220(7) 0.20504(2) 0.0502 1.0000 Uani . . . . . .
Cu4 Cu 0.44747(8) 0.18910(7) 0.26509(3) 0.0529 1.0000 Uani . . . . . .
Cu5 Cu 0.49314(8) 0.02048(7) 0.14708(2) 0.0500 1.0000 Uani . . . . . .
Cu6 Cu 0.67014(8) 0.05023(7) 0.17797(2) 0.0502 1.0000 Uani . . . . . .
Cu7 Cu 0.31203(8) 0.07409(7) 0.30772(3) 0.0515 1.0000 Uani . . . . . .
Cu8 Cu 0.48650(8) 0.09571(7) 0.34116(2) 0.0501 1.0000 Uani . . . . . .
Cu9 Cu 0.86056(8) -0.00838(7) 0.53046(2) 0.0523 1.0000 Uani . . . . . .
Cu10 Cu 1.01117(8) 0.12401(7) 0.46725(2) 0.0520 1.0000 Uani . . . . . .
Cu11 Cu 0.78174(8) 0.12488(8) 0.47057(2) 0.0559 1.0000 Uani . . . . . .
Cu12 Cu 0.87832(9) 0.19357(7) 0.52700(2) 0.0565 1.0000 Uani . . . . . .
Dy1 Dy 0.39278(3) 0.04320(3) 0.226245(9) 0.0419 1.0000 Uani . . . . . .
Dy2 Dy 0.60345(3) 0.07802(3) 0.263071(9) 0.0428 1.0000 Uani . . . . . .
Dy3 Dy 0.94223(3) -0.04214(3) 0.467489(9) 0.0473 1.0000 Uani . . . . . .
Cl1 Cl 0.52416(17) -0.15795(14) 0.26067(5) 0.0558 1.0000 Uani . . . . . .
Cl2 Cl 0.49275(17) 0.27908(15) 0.23086(6) 0.0570 1.0000 Uani . . . . . .
Cl3 Cl 0.75086(16) 0.10285(17) 0.29112(6) 0.0623 1.0000 Uani . . . . . .
Cl4 Cl 0.2440(2) 0.01870(19) 0.20103(8) 0.0809 1.0000 Uani . . . . . .
Cl5 Cl 0.5416(2) 0.00312(16) 0.09589(6) 0.0670 1.0000 Uani . . . . . .
Cl6 Cl 0.4284(2) 0.11028(19) 0.39213(6) 0.0766 1.0000 Uani . . . . . .
Cl7 Cl 0.8628(2) -0.1197(2) 0.55786(8) 0.0867 1.0000 Uani . . . . . .
Cl8 Cl 0.85833(19) -0.10315(16) 0.42221(6) 0.0667 1.0000 Uani . . . . . .
Cl9 Cl 0.7712(3) 0.2931(2) 0.52730(8) 0.1051 1.0000 Uani . . . . . .
C1 C 0.6099(6) -0.1957(6) 0.1971(2) 0.0551 1.0000 Uani . . . . . .
C2 C 0.6345(8) -0.2346(6) 0.1746(3) 0.0664 1.0000 Uani . . . . . .
C3 C 0.6420(8) -0.2014(6) 0.1481(3) 0.0646 1.0000 Uani . . . . . .
C4 C 0.6274(7) -0.1308(7) 0.1457(2) 0.0625 1.0000 Uani . . . . . .
C5 C 0.6052(6) -0.0940(6) 0.1696(2) 0.0509 1.0000 Uani . . . . . .
C6 C 0.5414(7) 0.2752(6) 0.1598(2) 0.0628 1.0000 Uani . . . . . .
C7 C 0.5623(8) 0.2985(6) 0.1326(2) 0.0638 1.0000 Uani . . . . . .
C8 C 0.5845(8) 0.2513(7) 0.1137(3) 0.0750 1.0000 Uani . . . . . .
C9 C 0.5872(8) 0.1788(6) 0.1215(2) 0.0636 1.0000 Uani . . . . . .
C10 C 0.5664(6) 0.1609(6) 0.1488(2) 0.0525 1.0000 Uani . . . . . .
C11 C 0.3995(7) 0.3182(6) 0.2933(2) 0.0656 1.0000 Uani . . . . . .
C12 C 0.3744(8) 0.3581(7) 0.3158(3) 0.0712 1.0000 Uani . . . . . .
C13 C 0.3540(9) 0.3228(8) 0.3409(3) 0.0822 1.0000 Uani . . . . . .
C14 C 0.3604(7) 0.2534(7) 0.3427(2) 0.0665 1.0000 Uani . . . . . .
C15 C 0.3850(6) 0.2154(6) 0.3189(2) 0.0533 1.0000 Uani . . . . . .
C16 C 0.4519(7) -0.1566(6) 0.3272(2) 0.0583 1.0000 Uani . . . . . .
C17 C 0.4162(9) -0.1825(7) 0.3508(3) 0.0766 1.0000 Uani . . . . . .
C18 C 0.3735(10) -0.1383(8) 0.3668(3) 0.0838 1.0000 Uani . . . . . .
C19 C 0.3688(8) -0.0695(7) 0.3598(2) 0.0713 1.0000 Uani . . . . . .
C20 C 0.4075(7) -0.0455(7) 0.3358(2) 0.0594 1.0000 Uani . . . . . .
C21 C 0.3919(7) -0.1015(6) 0.1237(2) 0.0608 1.0000 Uani . . . . . .
C22 C 0.3529(8) -0.1610(7) 0.1266(3) 0.0714 1.0000 Uani . . . . . .
C23 C 0.3450(8) -0.1885(7) 0.1546(2) 0.0702 1.0000 Uani . . . . . .
C24 C 0.3728(6) -0.1500(6) 0.1790(2) 0.0575 1.0000 Uani . . . . . .
C25 C 0.4121(6) -0.0869(5) 0.17561(19) 0.0456 1.0000 Uani . . . . . .
C26 C 0.3594(7) 0.0875(7) 0.1089(2) 0.0680 1.0000 Uani . . . . . .
C27 C 0.2891(8) 0.1214(7) 0.1026(2) 0.0717 1.0000 Uani . . . . . .
C28 C 0.2564(8) 0.1584(7) 0.1257(2) 0.0729 1.0000 Uani . . . . . .
C29 C 0.2961(7) 0.1561(7) 0.1536(2) 0.0648 1.0000 Uani . . . . . .
C30 C 0.3697(7) 0.1183(6) 0.1587(2) 0.0531 1.0000 Uani . . . . . .
C31 C 0.8256(7) -0.0246(7) 0.1936(3) 0.0654 1.0000 Uani . . . . . .
C32 C 0.8801(7) -0.0626(7) 0.2105(3) 0.0654 1.0000 Uani . . . . . .
C33 C 0.8653(7) -0.0850(7) 0.2379(3) 0.0725 1.0000 Uani . . . . . .
C34 C 0.7902(7) -0.0674(6) 0.2470(3) 0.0648 1.0000 Uani . . . . . .
C35 C 0.7333(6) -0.0270(6) 0.2288(2) 0.0497 1.0000 Uani . . . . . .
C36 C 0.7860(8) 0.1695(7) 0.1743(2) 0.0680 1.0000 Uani . . . . . .
C37 C 0.8211(8) 0.2317(8) 0.1832(3) 0.0805 1.0000 Uani . . . . . .
C38 C 0.7930(7) 0.2653(7) 0.2068(3) 0.0721 1.0000 Uani . . . . . .
C39 C 0.7318(7) 0.2376(6) 0.2214(2) 0.0572 1.0000 Uani . . . . . .
C40 C 0.6982(6) 0.1726(6) 0.2116(2) 0.0507 1.0000 Uani . . . . . .
C41 C 0.5727(7) 0.2219(7) 0.3668(2) 0.0615 1.0000 Uani . . . . . .
C42 C 0.6161(7) 0.2800(6) 0.3676(2) 0.0621 1.0000 Uani . . . . . .
C43 C 0.6463(7) 0.3010(6) 0.3408(2) 0.0627 1.0000 Uani . . . . . .
C44 C 0.6288(7) 0.2616(6) 0.3157(2) 0.0574 1.0000 Uani . . . . . .
C45 C 0.5803(5) 0.2014(6) 0.31680(19) 0.0463 1.0000 Uani . . . . . .
C46 C 0.6056(7) 0.0153(6) 0.3820(2) 0.0618 1.0000 Uani . . . . . .
C47 C 0.6690(8) -0.0264(7) 0.3888(2) 0.0709 1.0000 Uani . . . . . .
C48 C 0.7073(8) -0.0581(7) 0.3671(2) 0.0770 1.0000 Uani . . . . . .
C49 C 0.6783(7) -0.0457(6) 0.3373(2) 0.0625 1.0000 Uani . . . . . .
C50 C 0.6104(6) -0.0014(5) 0.33143(19) 0.0482 1.0000 Uani . . . . . .
C51 C 0.1651(7) 0.1577(6) 0.2903(3) 0.0628 1.0000 Uani . . . . . .
C52 C 0.1115(7) 0.1975(7) 0.2721(3) 0.0629 1.0000 Uani . . . . . .
C53 C 0.1342(7) 0.2152(7) 0.2447(3) 0.0673 1.0000 Uani . . . . . .
C54 C 0.2102(7) 0.1947(7) 0.2371(3) 0.0724 1.0000 Uani . . . . . .
C55 C 0.2630(7) 0.1543(6) 0.2571(2) 0.0566 1.0000 Uani . . . . . .
C56 C 0.1855(7) -0.0335(7) 0.3025(2) 0.0658 1.0000 Uani . . . . . .
C57 C 0.1535(8) -0.0983(7) 0.2952(2) 0.0742 1.0000 Uani . . . . . .
C58 C 0.1960(7) -0.1420(7) 0.2776(2) 0.0649 1.0000 Uani . . . . . .
C59 C 0.2660(7) -0.1171(7) 0.2670(2) 0.0591 1.0000 Uani . . . . . .
C60 C 0.2946(6) -0.0504(6) 0.2747(2) 0.0526 1.0000 Uani . . . . . .
C61 C 0.7074(7) -0.0002(7) 0.5592(2) 0.0607 1.0000 Uani . . . . . .
C62 C 0.6378(7) 0.0290(7) 0.5665(2) 0.0670 1.0000 Uani . . . . . .
C63 C 0.6184(7) 0.0964(8) 0.5562(2) 0.0734 1.0000 Uani . . . . . .
C64 C 0.6708(7) 0.1309(7) 0.5385(3) 0.0695 1.0000 Uani . . . . . .
C65 C 0.7410(7) 0.0949(7) 0.5313(2) 0.0602 1.0000 Uani . . . . . .
C66 C 1.0061(8) 0.2581(6) 0.4352(2) 0.0686 1.0000 Uani . . . . . .
C67 C 0.9755(10) 0.3215(8) 0.4279(3) 0.0871 1.0000 Uani . . . . . .
C68 C 0.9067(10) 0.3457(8) 0.4403(3) 0.0868 1.0000 Uani . . . . . .
C69 C 0.8715(8) 0.3026(7) 0.4591(3) 0.0707 1.0000 Uani . . . . . .
C70 C 0.9023(7) 0.2364(6) 0.4653(2) 0.0573 1.0000 Uani . . . . . .
C71 C 0.8542(8) 0.2018(7) 0.5908(2) 0.0672 1.0000 Uani . . . . . .
C72 C 0.8462(8) 0.1744(7) 0.6186(2) 0.0744 1.0000 Uani . . . . . .
C73 C 0.8694(9) 0.1074(7) 0.6241(3) 0.0773 1.0000 Uani . . . . . .
C74 C 0.9032(7) 0.0707(7) 0.6029(2) 0.0615 1.0000 Uani . . . . . .
C75 C 0.9099(7) 0.1002(6) 0.5753(2) 0.0536 1.0000 Uani . . . . . .
C76 C 0.9868(9) 0.3164(6) 0.5411(2) 0.0681 1.0000 Uani . . . . . .
C77 C 1.0582(9) 0.3518(7) 0.5425(3) 0.0735 1.0000 Uani . . . . . .
C78 C 1.1252(10) 0.3213(8) 0.5343(3) 0.0847 1.0000 Uani . . . . . .
C79 C 1.1218(8) 0.2542(7) 0.5241(3) 0.0719 1.0000 Uani . . . . . .
C80 C 1.0461(7) 0.2181(6) 0.5219(2) 0.0530 1.0000 Uani . . . . . .
C81 C 0.7490(7) 0.1500(6) 0.4057(2) 0.0575 1.0000 Uani . . . . . .
C82 C 0.7605(7) 0.1409(6) 0.3762(2) 0.0568 1.0000 Uani . . . . . .
C83 C 0.8268(7) 0.1042(6) 0.36977(18) 0.0563 1.0000 Uani . . . . . .
C84 C 0.8816(7) 0.0766(6) 0.3926(2) 0.0534 1.0000 Uani . . . . . .
C85 C 0.8662(7) 0.0887(6) 0.42205(19) 0.0536 1.0000 Uani . . . . . .
C86 C 0.6245(8) 0.0506(8) 0.4615(3) 0.0767 1.0000 Uani . . . . . .
C87 C 0.5730(8) -0.0035(10) 0.4629(3) 0.1004 1.0000 Uani . . . . . .
C88 C 0.6028(9) -0.0693(10) 0.4723(3) 0.1015 1.0000 Uani . . . . . .
C89 C 0.6882(8) -0.0745(8) 0.4783(3) 0.0837 1.0000 Uani . . . . . .
C90 C 0.7359(7) -0.0171(7) 0.47690(19) 0.0563 1.0000 Uani . . . . . .
O1 O 0.5091(4) -0.0040(3) 0.24960(12) 0.0422 1.0000 Uani . . . . . .
O2 O 0.4871(4) 0.1266(3) 0.23926(12) 0.0419 1.0000 Uani . . . . . .
O3 O 0.4377(4) -0.0473(4) 0.19819(12) 0.0488 1.0000 Uani . . . . . .
O4 O 0.4108(4) 0.1130(4) 0.18539(13) 0.0502 1.0000 Uani . . . . . .
O5 O 0.3367(4) 0.1354(4) 0.25166(15) 0.0545 1.0000 Uani . . . . . .
O6 O 0.3617(4) -0.0254(4) 0.26507(13) 0.0466 1.0000 Uani . . . . . .
O7 O 0.6600(4) -0.0116(4) 0.23646(13) 0.0479 1.0000 Uani . . . . . .
O8 O 0.6369(4) 0.1434(4) 0.22359(13) 0.0480 1.0000 Uani . . . . . .
O9 O 0.5581(4) 0.1648(4) 0.29294(13) 0.0495 1.0000 Uani . . . . . .
O10 O 0.5789(4) 0.0106(4) 0.30402(13) 0.0505 1.0000 Uani . . . . . .
O11 O 0.5908(4) -0.0267(4) 0.16895(13) 0.0498 1.0000 Uani . . . . . .
O12 O 0.5706(4) 0.0968(4) 0.15920(14) 0.0499 1.0000 Uani . . . . . .
O13 O 0.3940(4) 0.1469(4) 0.31909(13) 0.0482 1.0000 Uani . . . . . .
O14 O 0.4069(4) 0.0218(4) 0.32748(13) 0.0498 1.0000 Uani . . . . . .
O15 O 0.7164(5) 0.0318(5) 0.13173(16) 0.0747 1.0000 Uani . . . . . .
O16 O 0.2571(5) 0.0853(5) 0.35245(17) 0.0788 1.0000 Uani . . . . . .
O17 O 0.9586(4) -0.0363(4) 0.51738(12) 0.0472 1.0000 Uani . . . . . .
O18 O 1.0376(5) 0.1536(4) 0.51243(13) 0.0572 1.0000 Uani . . . . . .
O19 O 0.9372(4) 0.0643(4) 0.55363(13) 0.0556 1.0000 Uani . . . . . .
O20 O 0.9161(4) 0.0645(4) 0.44427(13) 0.0552 1.0000 Uani . . . . . .
O21 O 0.8168(4) -0.0202(4) 0.48525(14) 0.0575 1.0000 Uani . . . . . .
O22 O 0.8708(5) 0.1911(4) 0.48282(13) 0.0580 1.0000 Uani . . . . . .
O23 O 0.7929(4) 0.1234(4) 0.51477(14) 0.0554 1.0000 Uani . . . . . .
O24 O 0.6807(4) 0.2211(4) 0.46809(13) 0.0565 1.0000 Uani . . . . . .
N1 N 0.5947(5) -0.1281(5) 0.19516(17) 0.0495 1.0000 Uani . . . . . .
N2 N 0.5432(5) 0.2100(5) 0.16837(18) 0.0517 1.0000 Uani . . . . . .
N3 N 0.4062(5) 0.2481(5) 0.29408(19) 0.0591 1.0000 Uani . . . . . .
N4 N 0.4486(6) -0.0904(5) 0.31938(17) 0.0562 1.0000 Uani . . . . . .
N5 N 0.4236(5) -0.0639(5) 0.14849(16) 0.0500 1.0000 Uani . . . . . .
N6 N 0.3992(5) 0.0835(5) 0.13639(17) 0.0545 1.0000 Uani . . . . . .
N7 N 0.7513(5) -0.0074(5) 0.20218(18) 0.0525 1.0000 Uani . . . . . .
N8 N 0.7258(5) 0.1388(5) 0.18824(18) 0.0555 1.0000 Uani . . . . . .
N9 N 0.5555(5) 0.1811(4) 0.34225(15) 0.0478 1.0000 Uani . . . . . .
N10 N 0.5771(5) 0.0297(5) 0.35279(16) 0.0551 1.0000 Uani . . . . . .
N11 N 0.2382(5) 0.1377(5) 0.28340(17) 0.0549 1.0000 Uani . . . . . .
N12 N 0.2556(5) -0.0121(5) 0.29328(18) 0.0547 1.0000 Uani . . . . . .
N13 N 0.7590(5) 0.0300(5) 0.54190(17) 0.0586 1.0000 Uani . . . . . .
N14 N 0.9703(6) 0.2149(5) 0.45360(18) 0.0604 1.0000 Uani . . . . . .
N15 N 0.8838(6) 0.1653(5) 0.56929(18) 0.0566 1.0000 Uani . . . . . .
N16 N 0.9795(6) 0.2497(5) 0.53074(15) 0.0591 1.0000 Uani . . . . . .
N17 N 0.8005(5) 0.1241(5) 0.42796(16) 0.0554 1.0000 Uani . . . . . .
N18 N 0.7062(5) 0.0465(6) 0.46837(16) 0.0598 1.0000 Uani . . . . . .
H1 H 0.6029 -0.2171 0.2150 0.0769 1.0000 Uiso R . . . . .
H2 H 0.6450 -0.2818 0.1773 0.0910 1.0000 Uiso R . . . . .
H3 H 0.6546 -0.2277 0.1320 0.0950 1.0000 Uiso R . . . . .
H4 H 0.6369 -0.1079 0.1284 0.0821 1.0000 Uiso R . . . . .
H6 H 0.5240 0.3085 0.1724 0.0849 1.0000 Uiso R . . . . .
H7 H 0.5623 0.3453 0.1276 0.0880 1.0000 Uiso R . . . . .
H8 H 0.5985 0.2638 0.0952 0.1010 1.0000 Uiso R . . . . .
H9 H 0.6032 0.1445 0.1090 0.0930 1.0000 Uiso R . . . . .
H11 H 0.4147 0.3407 0.2766 0.0850 1.0000 Uiso R . . . . .
H12 H 0.3679 0.4059 0.3135 0.1060 1.0000 Uiso R . . . . .
H13 H 0.3355 0.3484 0.3562 0.0971 1.0000 Uiso R . . . . .
H14 H 0.3471 0.2302 0.3595 0.0949 1.0000 Uiso R . . . . .
H16 H 0.4798 -0.1876 0.3164 0.0920 1.0000 Uiso R . . . . .
H17 H 0.4206 -0.2289 0.3565 0.1079 1.0000 Uiso R . . . . .
H18 H 0.3421 -0.1540 0.3811 0.1130 1.0000 Uiso R . . . . .
H19 H 0.3420 -0.0373 0.3705 0.0929 1.0000 Uiso R . . . . .
H21 H 0.3999 -0.0850 0.1050 0.0768 1.0000 Uiso R . . . . .
H22 H 0.3360 -0.1870 0.1098 0.0860 1.0000 Uiso R . . . . .
H23 H 0.3223 -0.2322 0.1567 0.0820 1.0000 Uiso R . . . . .
H24 H 0.3615 -0.1650 0.1977 0.0699 1.0000 Uiso R . . . . .
H26 H 0.3820 0.0639 0.0940 0.0860 1.0000 Uiso R . . . . .
H27 H 0.2645 0.1247 0.0832 0.0941 1.0000 Uiso R . . . . .
H28 H 0.2079 0.1831 0.1216 0.0920 1.0000 Uiso R . . . . .
H29 H 0.2745 0.1800 0.1686 0.0829 1.0000 Uiso R . . . . .
H31 H 0.8390 -0.0105 0.1751 0.1049 1.0000 Uiso R . . . . .
H32 H 0.9307 -0.0728 0.2047 0.1219 1.0000 Uiso R . . . . .
H33 H 0.9019 -0.1110 0.2505 0.1219 1.0000 Uiso R . . . . .
H34 H 0.7763 -0.0814 0.2654 0.1019 1.0000 Uiso R . . . . .
H36 H 0.8053 0.1452 0.1588 0.1180 1.0000 Uiso R . . . . .
H37 H 0.8642 0.2496 0.1741 0.1460 1.0000 Uiso R . . . . .
H38 H 0.8146 0.3085 0.2128 0.1060 1.0000 Uiso R . . . . .
H39 H 0.7111 0.2613 0.2367 0.0829 1.0000 Uiso R . . . . .
H41 H 0.5526 0.2089 0.3843 0.0790 1.0000 Uiso R . . . . .
H42 H 0.6263 0.3076 0.3845 0.0949 1.0000 Uiso R . . . . .
H43 H 0.6775 0.3409 0.3402 0.0859 1.0000 Uiso R . . . . .
H44 H 0.6479 0.2746 0.2980 0.0790 1.0000 Uiso R . . . . .
H46 H 0.5821 0.0387 0.3968 0.0949 1.0000 Uiso R . . . . .
H47 H 0.6863 -0.0352 0.4086 0.1080 1.0000 Uiso R . . . . .
H48 H 0.7490 -0.0899 0.3721 0.1069 1.0000 Uiso R . . . . .
H49 H 0.7009 -0.0698 0.3226 0.0900 1.0000 Uiso R . . . . .
H51 H 0.1481 0.1473 0.3085 0.0920 1.0000 Uiso R . . . . .
H52 H 0.0597 0.2096 0.2764 0.0969 1.0000 Uiso R . . . . .
H53 H 0.1008 0.2418 0.2312 0.1040 1.0000 Uiso R . . . . .
H54 H 0.2271 0.2056 0.2188 0.0820 1.0000 Uiso R . . . . .
H56 H 0.1584 -0.0055 0.3148 0.0950 1.0000 Uiso R . . . . .
H57 H 0.1053 -0.1135 0.3016 0.0940 1.0000 Uiso R . . . . .
H58 H 0.1774 -0.1867 0.2728 0.0910 1.0000 Uiso R . . . . .
H59 H 0.2931 -0.1445 0.2544 0.0799 1.0000 Uiso R . . . . .
H61 H 0.7214 -0.0445 0.5664 0.0749 1.0000 Uiso R . . . . .
H62 H 0.6028 0.0041 0.5772 0.0900 1.0000 Uiso R . . . . .
H63 H 0.5720 0.1176 0.5617 0.0829 1.0000 Uiso R . . . . .
H64 H 0.6588 0.1762 0.5322 0.0780 1.0000 Uiso R . . . . .
H66 H 1.0516 0.2437 0.4264 0.0949 1.0000 Uiso R . . . . .
H67 H 0.9990 0.3517 0.4153 0.1010 1.0000 Uiso R . . . . .
H68 H 0.8831 0.3891 0.4358 0.1110 1.0000 Uiso R . . . . .
H69 H 0.8256 0.3166 0.4678 0.0899 1.0000 Uiso R . . . . .
H71 H 0.8344 0.2465 0.5870 0.0900 1.0000 Uiso R . . . . .
H72 H 0.8268 0.2011 0.6333 0.0899 1.0000 Uiso R . . . . .
H73 H 0.8683 0.0880 0.6429 0.1000 1.0000 Uiso R . . . . .
H74 H 0.9235 0.0260 0.6065 0.0829 1.0000 Uiso R . . . . .
H76 H 0.9400 0.3361 0.5470 0.0929 1.0000 Uiso R . . . . .
H77 H 1.0597 0.3973 0.5496 0.1020 1.0000 Uiso R . . . . .
H78 H 1.1732 0.3466 0.5351 0.0961 1.0000 Uiso R . . . . .
H79 H 1.1682 0.2340 0.5179 0.0830 1.0000 Uiso R . . . . .
H81 H 0.7032 0.1743 0.4103 0.0830 1.0000 Uiso R . . . . .
H82 H 0.7238 0.1598 0.3611 0.0889 1.0000 Uiso R . . . . .
H83 H 0.8366 0.0978 0.3501 0.0938 1.0000 Uiso R . . . . .
H84 H 0.9300 0.0554 0.3886 0.0840 1.0000 Uiso R . . . . .
H86 H 0.6018 0.0933 0.4555 0.0880 1.0000 Uiso R . . . . .
H87 H 0.5168 0.0022 0.4595 0.1070 1.0000 Uiso R . . . . .
H88 H 0.5700 -0.1082 0.4738 0.1110 1.0000 Uiso R . . . . .
H89 H 0.7113 -0.1170 0.4841 0.0949 1.0000 Uiso R . . . . .
H151 H 0.6824 0.0063 0.1226 0.1320 1.0000 Uiso R . . . . .
H152 H 0.7592 0.0179 0.1259 0.1319 1.0000 Uiso R . . . . .
H161 H 0.2945 0.1005 0.3643 0.1300 1.0000 Uiso R . . . . .
H162 H 0.2150 0.0915 0.3605 0.1299 1.0000 Uiso R . . . . .
H241 H 0.6322 0.2313 0.4648 0.1260 1.0000 Uiso R . . . . .
H242 H 0.7008 0.2511 0.4796 0.1260 1.0000 Uiso R . . . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Cl 0.1484 0.1585 11.4604 0.0104 7.1964 1.1662 6.2556 18.5194 1.6455 47.7784
-9.5574 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Cu 0.3201 1.2651 13.3380 3.5828 7.1676 0.2470 5.6158 11.3966 1.6735 64.8126
1.1910 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Dy -0.1892 4.4098 26.5070 2.1802 17.6383 0.2022 14.5596 12.1899 2.9658 111.8740
4.2973 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0061 0.0033 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0106 0.0060 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089
0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 . C1 . N1 . 123.8(11) yes
C2 . C1 . H1 . 119.4 no
N1 . C1 . H1 . 116.8 no
C1 . C2 . C3 . 117.9(11) yes
C1 . C2 . H2 . 120.2 no
C3 . C2 . H2 . 121.9 no
C2 . C3 . C4 . 119.2(11) yes
C2 . C3 . H3 . 119.3 no
C4 . C3 . H3 . 121.5 no
C3 . C4 . C5 . 120.1(11) yes
C3 . C4 . H4 . 118.8 no
C5 . C4 . H4 . 121.0 no
C4 . C5 . N1 . 119.9(11) yes
C4 . C5 . O11 . 123.2(10) yes
N1 . C5 . O11 . 116.8(9) yes
C7 . C6 . N2 . 124.7(11) yes
C7 . C6 . H6 . 117.0 no
N2 . C6 . H6 . 118.3 no
C6 . C7 . C8 . 118.1(11) yes
C6 . C7 . H7 . 122.5 no
C8 . C7 . H7 . 119.4 no
C7 . C8 . C9 . 120.3(11) yes
C7 . C8 . H8 . 121.8 no
C9 . C8 . H8 . 117.9 no
C8 . C9 . C10 . 117.4(11) yes
C8 . C9 . H9 . 122.8 no
C10 . C9 . H9 . 119.8 no
C9 . C10 . N2 . 122.1(11) yes
C9 . C10 . O12 . 123.4(10) yes
N2 . C10 . O12 . 114.4(9) yes
C12 . C11 . N3 . 124.3(12) yes
C12 . C11 . H11 . 118.7 no
N3 . C11 . H11 . 117.0 no
C11 . C12 . C13 . 117.3(12) yes
C11 . C12 . H12 . 120.6 no
C13 . C12 . H12 . 122.0 no
C12 . C13 . C14 . 120.3(12) yes
C12 . C13 . H13 . 119.0 no
C14 . C13 . H13 . 120.6 no
C13 . C14 . C15 . 119.8(12) yes
C13 . C14 . H14 . 120.1 no
C15 . C14 . H14 . 120.1 no
C14 . C15 . N3 . 121.5(11) yes
C14 . C15 . O13 . 123.6(11) yes
N3 . C15 . O13 . 114.8(9) yes
C17 . C16 . N4 . 123.5(12) yes
C17 . C16 . H16 . 117.8 no
N4 . C16 . H16 . 118.8 no
C16 . C17 . C18 . 119.1(13) yes
C16 . C17 . H17 . 122.7 no
C18 . C17 . H17 . 118.2 no
C17 . C18 . C19 . 119.7(13) yes
C17 . C18 . H18 . 122.6 no
C19 . C18 . H18 . 117.3 no
C18 . C19 . C20 . 118.9(13) yes
C18 . C19 . H19 . 122.5 no
C20 . C19 . H19 . 118.6 no
C19 . C20 . N4 . 121.1(12) yes
C19 . C20 . O14 . 122.9(11) yes
N4 . C20 . O14 . 115.9(9) yes
C22 . C21 . N5 . 120.5(10) yes
C22 . C21 . H21 . 120.4 no
N5 . C21 . H21 . 119.1 no
C21 . C22 . C23 . 120.9(11) yes
C21 . C22 . H22 . 118.7 no
C23 . C22 . H22 . 119.9 no
C22 . C23 . C24 . 118.7(11) yes
C22 . C23 . H23 . 121.1 no
C24 . C23 . H23 . 120.2 no
C23 . C24 . C25 . 119.5(10) yes
C23 . C24 . H24 . 119.5 no
C25 . C24 . H24 . 120.9 no
C24 . C25 . N5 . 120.5(9) yes
C24 . C25 . O3 . 121.9(9) yes
N5 . C25 . O3 . 117.6(9) yes
C27 . C26 . N6 . 123.0(11) yes
C27 . C26 . H26 . 119.7 no
N6 . C26 . H26 . 117.2 no
C26 . C27 . C28 . 118.6(10) yes
C26 . C27 . H27 . 120.6 no
C28 . C27 . H27 . 120.5 no
C27 . C28 . C29 . 119.4(12) yes
C27 . C28 . H28 . 119.6 no
C29 . C28 . H28 . 121.0 no
C28 . C29 . C30 . 118.8(12) yes
C28 . C29 . H29 . 119.3 no
C30 . C29 . H29 . 121.9 no
C29 . C30 . N6 . 120.6(9) yes
C29 . C30 . O4 . 121.8(10) yes
N6 . C30 . O4 . 117.5(10) yes
C32 . C31 . N7 . 121.9(11) yes
C32 . C31 . H31 . 118.0 no
N7 . C31 . H31 . 120.1 no
C31 . C32 . C33 . 121.5(11) yes
C31 . C32 . H32 . 121.1 no
C33 . C32 . H32 . 117.4 no
C32 . C33 . C34 . 117.1(11) yes
C32 . C33 . H33 . 123.9 no
C34 . C33 . H33 . 119.0 no
C33 . C34 . C35 . 120.8(11) yes
C33 . C34 . H34 . 121.2 no
C35 . C34 . H34 . 118.0 no
C34 . C35 . N7 . 119.1(10) yes
C34 . C35 . O7 . 122.1(10) yes
N7 . C35 . O7 . 118.7(9) yes
C37 . C36 . N8 . 122.7(11) yes
C37 . C36 . H36 . 119.5 no
N8 . C36 . H36 . 117.7 no
C36 . C37 . C38 . 118.1(12) yes
C36 . C37 . H37 . 120.5 no
C38 . C37 . H37 . 121.3 no
C37 . C38 . C39 . 121.8(12) yes
C37 . C38 . H38 . 119.6 no
C39 . C38 . H38 . 118.6 no
C38 . C39 . C40 . 118.0(11) yes
C38 . C39 . H39 . 121.8 no
C40 . C39 . H39 . 120.1 no
C39 . C40 . N8 . 120.6(10) yes
C39 . C40 . O8 . 122.0(10) yes
N8 . C40 . O8 . 117.3(9) yes
C42 . C41 . N9 . 124.6(10) yes
C42 . C41 . H41 . 116.3 no
N9 . C41 . H41 . 119.1 no
C41 . C42 . C43 . 116.9(10) yes
C41 . C42 . H42 . 123.1 no
C43 . C42 . H42 . 119.9 no
C42 . C43 . C44 . 119.9(11) yes
C42 . C43 . H43 . 120.6 no
C44 . C43 . H43 . 119.6 no
C43 . C44 . C45 . 119.0(10) yes
C43 . C44 . H44 . 120.9 no
C45 . C44 . H44 . 120.1 no
C44 . C45 . N9 . 120.3(9) yes
C44 . C45 . O9 . 121.0(9) yes
N9 . C45 . O9 . 118.7(9) yes
C47 . C46 . N10 . 120.9(11) yes
C47 . C46 . H46 . 120.4 no
N10 . C46 . H46 . 118.4 no
C46 . C47 . C48 . 121.1(10) yes
C46 . C47 . H47 . 118.6 no
C48 . C47 . H47 . 120.2 no
C47 . C48 . C49 . 119.1(11) yes
C47 . C48 . H48 . 120.5 no
C49 . C48 . H48 . 120.2 no
C48 . C49 . C50 . 117.3(11) yes
C48 . C49 . H49 . 119.7 no
C50 . C49 . H49 . 122.8 no
C49 . C50 . N10 . 121.7(8) yes
C49 . C50 . O10 . 120.2(9) yes
N10 . C50 . O10 . 118.1(9) yes
C52 . C51 . N11 . 123.6(11) yes
C52 . C51 . H51 . 114.8 no
N11 . C51 . H51 . 121.6 no
C51 . C52 . C53 . 117.2(11) yes
C51 . C52 . H52 . 123.7 no
C53 . C52 . H52 . 118.8 no
C52 . C53 . C54 . 120.0(11) yes
C52 . C53 . H53 . 121.9 no
C54 . C53 . H53 . 118.1 no
C53 . C54 . C55 . 119.8(11) yes
C53 . C54 . H54 . 122.0 no
C55 . C54 . H54 . 118.2 no
C54 . C55 . N11 . 118.3(10) yes
C54 . C55 . O5 . 122.6(10) yes
N11 . C55 . O5 . 119.0(9) yes
C57 . C56 . N12 . 121.4(11) yes
C57 . C56 . H56 . 118.1 no
N12 . C56 . H56 . 120.5 no
C56 . C57 . C58 . 118.5(11) yes
C56 . C57 . H57 . 121.9 no
C58 . C57 . H57 . 119.7 no
C57 . C58 . C59 . 119.0(11) yes
C57 . C58 . H58 . 121.0 no
C59 . C58 . H58 . 120.0 no
C58 . C59 . C60 . 119.7(11) yes
C58 . C59 . H59 . 120.0 no
C60 . C59 . H59 . 120.3 no
C59 . C60 . N12 . 119.5(10) yes
C59 . C60 . O6 . 121.1(10) yes
N12 . C60 . O6 . 119.4(10) yes
C62 . C61 . N13 . 124.9(12) yes
C62 . C61 . H61 . 118.4 no
N13 . C61 . H61 . 116.7 no
C61 . C62 . C63 . 117.8(12) yes
C61 . C62 . H62 . 120.7 no
C63 . C62 . H62 . 121.4 no
C62 . C63 . C64 . 119.6(12) yes
C62 . C63 . H63 . 118.5 no
C64 . C63 . H63 . 121.9 no
C63 . C64 . C65 . 118.2(12) yes
C63 . C64 . H64 . 119.6 no
C65 . C64 . H64 . 122.3 no
C64 . C65 . N13 . 121.1(11) yes
C64 . C65 . O23 . 121.9(11) yes
N13 . C65 . O23 . 117.0(10) yes
C67 . C66 . N14 . 121.7(13) yes
C67 . C66 . H66 . 117.4 no
N14 . C66 . H66 . 120.8 no
C66 . C67 . C68 . 119.9(13) yes
C66 . C67 . H67 . 122.9 no
C68 . C67 . H67 . 117.2 no
C67 . C68 . C69 . 118.3(13) yes
C67 . C68 . H68 . 122.9 no
C69 . C68 . H68 . 118.8 no
C68 . C69 . C70 . 120.7(13) yes
C68 . C69 . H69 . 121.1 no
C70 . C69 . H69 . 118.2 no
C69 . C70 . N14 . 119.8(11) yes
C69 . C70 . O22 . 124.4(11) yes
N14 . C70 . O22 . 115.8(10) yes
C72 . C71 . N15 . 123.2(12) yes
C72 . C71 . H71 . 116.9 no
N15 . C71 . H71 . 119.7 no
C71 . C72 . C73 . 118.1(12) yes
C71 . C72 . H72 . 121.4 no
C73 . C72 . H72 . 120.4 no
C72 . C73 . C74 . 119.3(11) yes
C72 . C73 . H73 . 120.6 no
C74 . C73 . H73 . 119.7 no
C73 . C74 . C75 . 120.7(12) yes
C73 . C74 . H74 . 121.4 no
C75 . C74 . H74 . 118.0 no
C74 . C75 . N15 . 120.4(10) yes
C74 . C75 . O19 . 122.1(10) yes
N15 . C75 . O19 . 117.4(9) yes
C77 . C76 . N16 . 122.0(12) yes
C77 . C76 . H76 . 122.0 no
N16 . C76 . H76 . 116.0 no
C76 . C77 . C78 . 120.3(13) yes
C76 . C77 . H77 . 118.4 no
C78 . C77 . H77 . 121.3 no
C77 . C78 . C79 . 120.4(14) yes
C77 . C78 . H78 . 119.0 no
C79 . C78 . H78 . 120.6 no
C78 . C79 . C80 . 118.9(13) yes
C78 . C79 . H79 . 119.5 no
C80 . C79 . H79 . 121.5 no
C79 . C80 . N16 . 119.7(10) yes
C79 . C80 . O18 . 122.8(11) yes
N16 . C80 . O18 . 117.4(10) yes
C82 . C81 . N17 . 122.6(11) yes
C82 . C81 . H81 . 119.1 no
N17 . C81 . H81 . 118.3 no
C81 . C82 . C83 . 118.6(9) yes
C81 . C82 . H82 . 121.0 no
C83 . C82 . H82 . 120.4 no
C82 . C83 . C84 . 119.9(9) yes
C82 . C83 . H83 . 120.5 no
C84 . C83 . H83 . 119.5 no
C83 . C84 . C85 . 118.1(10) yes
C83 . C84 . H84 . 120.9 no
C85 . C84 . H84 . 120.7 no
C84 . C85 . N17 . 121.1(8) yes
C84 . C85 . O20 . 120.5(10) yes
N17 . C85 . O20 . 118.3(9) yes
C87 . C86 . N18 . 124.0(14) yes
C87 . C86 . H86 . 117.5 no
N18 . C86 . H86 . 118.5 no
C86 . C87 . C88 . 120.6(13) yes
C86 . C87 . H87 . 121.4 no
C88 . C87 . H87 . 117.7 no
C87 . C88 . C89 . 115.4(14) yes
C87 . C88 . H88 . 124.1 no
C89 . C88 . H88 . 120.4 no
C88 . C89 . C90 . 120.3(14) yes
C88 . C89 . H89 . 119.1 no
C90 . C89 . H89 . 120.5 no
C89 . C90 . N18 . 123.6(11) yes
C89 . C90 . O21 . 120.7(11) yes
N18 . C90 . O21 . 115.7(10) yes
C61 . N13 . C65 . 118.3(10) yes
C61 . N13 . Cu9 . 127.4(8) yes
C65 . N13 . Cu9 . 114.2(8) yes
C66 . N14 . C70 . 119.6(10) yes
C66 . N14 . Cu10 . 125.7(9) yes
C70 . N14 . Cu10 . 114.6(7) yes
C71 . N15 . C75 . 118.2(9) yes
C71 . N15 . Cu12 . 125.8(8) yes
C75 . N15 . Cu12 . 115.4(7) yes
C76 . N16 . C80 . 118.7(10) yes
C76 . N16 . Cu12 . 125.6(9) yes
C80 . N16 . Cu12 . 115.7(8) yes
C81 . N17 . C85 . 119.6(9) yes
C81 . N17 . Cu11 . 125.1(8) yes
C85 . N17 . Cu11 . 115.0(6) yes
C90 . N18 . C86 . 115.9(11) yes
C90 . N18 . Cu11 . 118.3(7) yes
C86 . N18 . Cu11 . 125.5(9) yes
Dy3 2_756 O17 . Cu10 2_756 109.5(3) yes
Dy3 2_756 O17 . Dy3 . 109.6(3) yes
Cu10 2_756 O17 . Dy3 . 109.1(3) yes
Dy3 2_756 O17 . Cu9 . 109.4(3) yes
Cu10 2_756 O17 . Cu9 . 110.0(3) yes
Dy3 . O17 . Cu9 . 109.3(3) yes
C80 . O18 . Dy3 2_756 136.9(6) yes
C80 . O18 . Cu10 . 124.8(6) yes
Dy3 2_756 O18 . Cu10 . 97.9(3) yes
C75 . O19 . Dy3 2_756 141.1(6) yes
C75 . O19 . Cu9 . 119.1(7) yes
Dy3 2_756 O19 . Cu9 . 99.4(3) yes
C85 . O20 . Dy3 . 136.9(7) yes
C85 . O20 . Cu10 . 123.4(7) yes
Dy3 . O20 . Cu10 . 99.5(2) yes
C90 . O21 . Dy3 . 142.7(6) yes
C90 . O21 . Cu9 . 118.9(6) yes
Dy3 . O21 . Cu9 . 98.2(3) yes
C70 . O22 . Cu10 . 76.0(6) yes
C70 . O22 . Cu12 . 127.3(7) yes
Cu10 . O22 . Cu12 . 108.0(3) yes
C70 . O22 . Cu11 . 125.7(6) yes
Cu10 . O22 . Cu11 . 103.9(3) yes
Cu12 . O22 . Cu11 . 104.8(3) yes
C65 . O23 . Cu9 . 75.3(6) yes
C65 . O23 . Cu12 . 127.3(6) yes
Cu9 . O23 . Cu12 . 107.0(3) yes
C65 . O23 . Cu11 . 126.2(6) yes
Cu9 . O23 . Cu11 . 104.7(3) yes
Cu12 . O23 . Cu11 . 104.6(3) yes
Cu11 . O24 . H242 . 106.0 no
Cu11 . O24 . H241 . 145.2 no
H242 . O24 . H241 . 105.1 no
Cu10 2_756 Dy3 . Dy3 2_756 57.01(3) yes
Cu10 2_756 Dy3 . O19 2_756 99.30(16) yes
Dy3 2_756 Dy3 . O19 2_756 91.57(15) yes
Cu10 2_756 Dy3 . O21 . 84.13(16) yes
Dy3 2_756 Dy3 . O21 . 92.06(16) yes
O19 2_756 Dy3 . O21 . 176.0(2) yes
Cu10 2_756 Dy3 . O18 2_756 38.75(15) yes
Dy3 2_756 Dy3 . O18 2_756 92.92(15) yes
O19 2_756 Dy3 . O18 2_756 84.6(3) yes
O21 . Dy3 . O18 2_756 96.9(3) yes
Cu10 2_756 Dy3 . O20 . 145.49(16) yes
Dy3 2_756 Dy3 . O20 . 91.70(15) yes
O19 2_756 Dy3 . O20 . 95.4(3) yes
O21 . Dy3 . O20 . 82.8(3) yes
O18 2_756 Dy3 . O20 . 175.4(2) yes
Cu10 2_756 Dy3 . O17 2_756 87.74(15) yes
Dy3 2_756 Dy3 . O17 2_756 35.15(15) yes
O19 2_756 Dy3 . O17 2_756 68.3(2) yes
O21 . Dy3 . O17 2_756 114.1(2) yes
O18 2_756 Dy3 . O17 2_756 115.1(2) yes
Cu10 2_756 Dy3 . O17 . 31.59(18) yes
Dy3 2_756 Dy3 . O17 . 35.30(17) yes
O19 2_756 Dy3 . O17 . 114.5(2) yes
O21 . Dy3 . O17 . 69.5(2) yes
O18 2_756 Dy3 . O17 . 69.9(2) yes
Cu10 2_756 Dy3 . Cu12 2_756 62.07(3) yes
Dy3 2_756 Dy3 . Cu12 2_756 87.84(2) yes
O19 2_756 Dy3 . Cu12 2_756 42.53(18) yes
O21 . Dy3 . Cu12 2_756 139.36(18) yes
O18 2_756 Dy3 . Cu12 2_756 42.60(19) yes
Cu10 2_756 Dy3 . Cu9 . 53.94(3) yes
Dy3 2_756 Dy3 . Cu9 . 56.90(3) yes
O19 2_756 Dy3 . Cu9 . 145.68(14) yes
O21 . Dy3 . Cu9 . 38.32(15) yes
O18 2_756 Dy3 . Cu9 . 84.00(17) yes
Cu10 2_756 Dy3 . Cl8 . 122.02(8) yes
Dy3 2_756 Dy3 . Cl8 . 178.74(8) yes
O19 2_756 Dy3 . Cl8 . 89.39(17) yes
O21 . Dy3 . Cl8 . 87.01(18) yes
O18 2_756 Dy3 . Cl8 . 86.35(17) yes
O20 . Dy3 . O17 2_756 69.0(2) yes
O20 . Dy3 . O17 . 114.1(2) yes
O17 2_756 Dy3 . O17 . 70.4(3) yes
O20 . Dy3 . Cu12 2_756 137.83(19) yes
O17 2_756 Dy3 . Cu12 2_756 87.95(17) yes
O17 . Dy3 . Cu12 2_756 88.52(17) yes
O20 . Dy3 . Cu9 . 98.46(17) yes
O17 2_756 Dy3 . Cu9 . 87.66(16) yes
O17 . Dy3 . Cu9 . 31.45(16) yes
Cu12 2_756 Dy3 . Cu9 . 115.96(3) yes
O20 . Dy3 . Cl8 . 89.03(17) yes
O17 2_756 Dy3 . Cl8 . 146.10(17) yes
O17 . Dy3 . Cl8 . 143.45(19) yes
Cu12 2_756 Dy3 . Cl8 . 92.32(7) yes
Cu9 . Dy3 . Cl8 . 121.97(8) yes
Cu1 . Cl1 . Cu2 . 77.32(9) yes
Cu3 . Cl2 . Cu4 . 77.43(9) yes
C5 . N1 . C1 . 119.1(10) yes
C5 . N1 . Cu1 . 113.6(7) yes
C1 . N1 . Cu1 . 127.2(7) yes
C10 . N2 . C6 . 117.3(9) yes
C10 . N2 . Cu3 . 114.9(7) yes
C6 . N2 . Cu3 . 127.8(8) yes
C15 . N3 . C11 . 116.7(10) yes
C15 . N3 . Cu4 . 116.2(8) yes
C11 . N3 . Cu4 . 127.0(8) yes
C20 . N4 . C16 . 117.7(10) yes
C20 . N4 . Cu2 . 114.6(7) yes
C16 . N4 . Cu2 . 127.2(8) yes
C21 . N5 . C25 . 119.6(9) yes
C21 . N5 . Cu5 . 124.1(7) yes
C25 . N5 . Cu5 . 116.2(6) yes
C30 . N6 . C26 . 119.4(10) yes
C30 . N6 . Cu5 . 117.2(6) yes
C26 . N6 . Cu5 . 123.0(8) yes
C31 . N7 . C35 . 119.6(9) yes
C31 . N7 . Cu6 . 123.0(8) yes
C35 . N7 . Cu6 . 117.3(7) yes
C36 . N8 . C40 . 118.7(9) yes
C36 . N8 . Cu6 . 127.2(8) yes
C40 . N8 . Cu6 . 114.1(7) yes
C41 . N9 . C45 . 119.2(9) yes
C41 . N9 . Cu8 . 123.7(7) yes
C45 . N9 . Cu8 . 116.9(6) yes
C46 . N10 . C50 . 119.7(9) yes
C46 . N10 . Cu8 . 122.9(8) yes
C50 . N10 . Cu8 . 117.3(6) yes
C55 . N11 . C51 . 121.1(10) yes
C55 . N11 . Cu7 . 114.5(7) yes
C51 . N11 . Cu7 . 124.1(8) yes
C56 . N12 . C60 . 121.7(10) yes
C56 . N12 . Cu7 . 122.8(8) yes
C60 . N12 . Cu7 . 115.4(7) yes
Cu1 . O1 . Cu2 . 109.1(3) yes
Cu1 . O1 . Dy2 . 109.7(3) yes
Cu2 . O1 . Dy2 . 108.6(2) yes
Cu1 . O1 . Dy1 . 109.5(2) yes
Cu2 . O1 . Dy1 . 108.3(3) yes
Dy2 . O1 . Dy1 . 111.5(3) yes
Cu3 . O2 . Cu4 . 110.7(3) yes
Cu3 . O2 . Dy2 . 109.3(3) yes
Cu4 . O2 . Dy2 . 107.5(2) yes
Cu3 . O2 . Dy1 . 108.9(2) yes
Cu4 . O2 . Dy1 . 110.0(3) yes
Dy2 . O2 . Dy1 . 110.3(3) yes
C25 . O3 . Cu1 . 120.6(6) yes
C25 . O3 . Dy1 . 140.4(6) yes
Cu1 . O3 . Dy1 . 98.5(2) yes
C30 . O4 . Cu3 . 129.5(6) yes
C30 . O4 . Dy1 . 132.4(6) yes
Cu3 . O4 . Dy1 . 97.9(2) yes
C55 . O5 . Cu4 . 126.3(6) yes
C55 . O5 . Dy1 . 136.0(6) yes
Cu4 . O5 . Dy1 . 97.6(3) yes
C60 . O6 . Cu2 . 124.3(6) yes
C60 . O6 . Dy1 . 136.8(6) yes
Cu2 . O6 . Dy1 . 98.7(2) yes
C35 . O7 . Cu1 . 125.8(6) yes
C35 . O7 . Dy2 . 136.3(6) yes
Cu1 . O7 . Dy2 . 97.8(3) yes
C40 . O8 . Cu3 . 117.2(6) yes
C40 . O8 . Cu6 . 75.1(5) yes
Cu3 . O8 . Cu6 . 97.4(2) yes
C40 . O8 . Dy2 . 144.3(6) yes
Cu3 . O8 . Dy2 . 97.9(3) yes
Cu6 . O8 . Dy2 . 108.1(3) yes
C45 . O9 . Cu4 . 120.5(6) yes
C45 . O9 . Dy2 . 142.4(6) yes
Cu4 . O9 . Dy2 . 96.8(2) yes
C50 . O10 . Cu2 . 121.0(6) yes
C50 . O10 . Dy2 . 140.0(6) yes
Cu2 . O10 . Dy2 . 98.7(2) yes
C5 . O11 . Cu1 . 75.9(5) yes
C5 . O11 . Cu5 . 126.0(6) yes
Cu1 . O11 . Cu5 . 108.7(3) yes
C5 . O11 . Cu6 . 127.9(6) yes
Cu1 . O11 . Cu6 . 104.2(2) yes
Cu5 . O11 . Cu6 . 103.7(3) yes
C10 . O12 . Cu3 . 77.1(6) yes
C10 . O12 . Cu5 . 125.9(6) yes
Cu3 . O12 . Cu5 . 108.9(3) yes
C10 . O12 . Cu6 . 125.8(6) yes
Cu3 . O12 . Cu6 . 104.6(2) yes
Cu5 . O12 . Cu6 . 105.2(3) yes
C15 . O13 . Cu4 . 75.9(6) yes
C15 . O13 . Cu7 . 129.1(6) yes
Cu4 . O13 . Cu7 . 104.4(2) yes
C15 . O13 . Cu8 . 125.0(6) yes
Cu4 . O13 . Cu8 . 106.5(3) yes
Cu7 . O13 . Cu8 . 104.1(3) yes
C20 . O14 . Cu2 . 75.0(6) yes
C20 . O14 . Cu7 . 126.4(6) yes
Cu2 . O14 . Cu7 . 108.6(2) yes
C20 . O14 . Cu8 . 128.0(6) yes
Cu2 . O14 . Cu8 . 103.8(3) yes
Cu7 . O14 . Cu8 . 103.7(3) yes
Cu6 . O15 . H151 . 105.6 no
Cu6 . O15 . H152 . 135.8 no
H151 . O15 . H152 . 101.5 no
Cu7 . O16 . H162 . 146.1 no
Cu7 . O16 . H161 . 105.5 no
H162 . O16 . H161 . 104.9 no
O3 . Cu1 . Cl1 . 107.3(2) yes
O3 . Cu1 . O7 . 134.3(3) yes
Cl1 . Cu1 . O7 . 114.15(19) yes
O3 . Cu1 . N1 . 95.2(3) yes
Cl1 . Cu1 . N1 . 99.5(3) yes
O7 . Cu1 . N1 . 96.3(3) yes
O3 . Cu1 . O11 . 73.5(2) yes
Cl1 . Cu1 . O11 . 152.42(16) yes
O7 . Cu1 . O11 . 78.5(2) yes
N1 . Cu1 . O11 . 53.5(3) yes
O3 . Cu1 . O1 . 81.4(2) yes
Cl1 . Cu1 . O1 . 87.0(2) yes
O7 . Cu1 . O1 . 82.2(3) yes
N1 . Cu1 . O1 . 173.3(3) yes
O11 . Cu1 . O1 . 119.8(2) yes
O3 . Cu1 . Cu2 . 94.96(17) yes
Cl1 . Cu1 . Cu2 . 51.50(7) yes
O7 . Cu1 . Cu2 . 95.88(18) yes
N1 . Cu1 . Cu2 . 151.0(3) yes
O11 . Cu1 . Cu2 . 155.26(15) yes
O3 . Cu1 . Cu6 . 92.36(18) yes
Cl1 . Cu1 . Cu6 . 159.80(8) yes
O7 . Cu1 . Cu6 . 49.88(17) yes
N1 . Cu1 . Cu6 . 73.3(3) yes
O11 . Cu1 . Cu6 . 30.23(14) yes
O3 . Cu1 . Dy2 . 106.4(2) yes
Cl1 . Cu1 . Dy2 . 106.96(7) yes
O7 . Cu1 . Dy2 . 43.80(18) yes
N1 . Cu1 . Dy2 . 138.5(2) yes
O11 . Cu1 . Dy2 . 98.91(14) yes
O3 . Cu1 . Dy1 . 42.79(18) yes
Cl1 . Cu1 . Dy1 . 103.15(8) yes
O7 . Cu1 . Dy1 . 107.16(19) yes
N1 . Cu1 . Dy1 . 136.6(2) yes
O11 . Cu1 . Dy1 . 95.55(15) yes
O1 . Cu1 . Cu2 . 35.58(19) yes
O1 . Cu1 . Cu6 . 101.0(2) yes
Cu2 . Cu1 . Cu6 . 133.26(5) yes
O1 . Cu1 . Dy2 . 38.79(19) yes
Cu2 . Cu1 . Dy2 . 62.76(3) yes
Cu6 . Cu1 . Dy2 . 70.87(3) yes
O1 . Cu1 . Dy1 . 39.07(17) yes
Cu2 . Cu1 . Dy1 . 62.80(3) yes
Cu6 . Cu1 . Dy1 . 94.49(4) yes
Dy2 . Cu1 . Dy1 . 66.94(3) yes
Cu1 . Cu2 . Cl1 . 51.19(7) yes
Cu1 . Cu2 . O6 . 95.55(17) yes
Cl1 . Cu2 . O6 . 107.9(2) yes
Cu1 . Cu2 . O10 . 96.71(19) yes
Cl1 . Cu2 . O10 . 115.3(2) yes
O6 . Cu2 . O10 . 132.7(3) yes
Cu1 . Cu2 . N4 . 149.5(3) yes
Cl1 . Cu2 . N4 . 98.3(3) yes
O6 . Cu2 . N4 . 94.1(3) yes
O10 . Cu2 . N4 . 97.8(3) yes
Cu1 . Cu2 . O14 . 156.19(15) yes
Cl1 . Cu2 . O14 . 151.65(16) yes
O6 . Cu2 . O14 . 72.6(2) yes
O10 . Cu2 . O14 . 78.1(2) yes
N4 . Cu2 . O14 . 53.9(3) yes
Cu1 . Cu2 . O1 . 35.3(2) yes
Cl1 . Cu2 . O1 . 86.4(2) yes
O6 . Cu2 . O1 . 81.8(2) yes
O10 . Cu2 . O1 . 82.5(2) yes
N4 . Cu2 . O1 . 174.5(3) yes
Cu1 . Cu2 . Cu8 . 135.29(5) yes
Cl1 . Cu2 . Cu8 . 158.18(7) yes
O6 . Cu2 . Cu8 . 92.82(18) yes
O10 . Cu2 . Cu8 . 48.8(2) yes
N4 . Cu2 . Cu8 . 72.8(3) yes
Cu1 . Cu2 . Dy2 . 63.19(3) yes
Cl1 . Cu2 . Dy2 . 107.08(8) yes
O6 . Cu2 . Dy2 . 106.29(18) yes
O10 . Cu2 . Dy2 . 43.57(17) yes
N4 . Cu2 . Dy2 . 140.1(3) yes
Cu1 . Cu2 . Dy1 . 63.36(3) yes
Cl1 . Cu2 . Dy1 . 103.37(7) yes
O6 . Cu2 . Dy1 . 42.60(17) yes
O10 . Cu2 . Dy1 . 106.73(18) yes
N4 . Cu2 . Dy1 . 135.7(3) yes
O14 . Cu2 . O1 . 121.1(2) yes
O14 . Cu2 . Cu8 . 30.25(14) yes
O1 . Cu2 . Cu8 . 103.7(2) yes
O14 . Cu2 . Dy2 . 99.60(14) yes
O1 . Cu2 . Dy2 . 39.28(18) yes
Cu8 . Cu2 . Dy2 . 72.29(3) yes
O14 . Cu2 . Dy1 . 95.55(14) yes
O1 . Cu2 . Dy1 . 39.66(18) yes
Cu8 . Cu2 . Dy1 . 96.47(4) yes
Dy2 . Cu2 . Dy1 . 67.27(3) yes
O8 . Cu3 . O4 . 132.8(3) yes
O8 . Cu3 . Cl2 . 101.46(19) yes
O4 . Cu3 . Cl2 . 121.2(2) yes
O8 . Cu3 . N2 . 95.5(3) yes
O4 . Cu3 . N2 . 96.3(3) yes
Cl2 . Cu3 . N2 . 99.5(3) yes
O8 . Cu3 . O12 . 76.7(2) yes
O4 . Cu3 . O12 . 74.5(2) yes
Cl2 . Cu3 . O12 . 151.91(16) yes
N2 . Cu3 . O12 . 53.5(3) yes
O8 . Cu3 . O2 . 81.4(2) yes
O4 . Cu3 . O2 . 82.1(2) yes
Cl2 . Cu3 . O2 . 86.4(2) yes
N2 . Cu3 . O2 . 173.8(3) yes
O12 . Cu3 . O2 . 120.4(2) yes
O8 . Cu3 . Cu4 . 95.22(17) yes
O4 . Cu3 . Cu4 . 95.37(18) yes
Cl2 . Cu3 . Cu4 . 52.66(7) yes
N2 . Cu3 . Cu4 . 151.7(3) yes
O12 . Cu3 . Cu4 . 154.79(15) yes
O8 . Cu3 . Cu6 . 47.73(17) yes
O4 . Cu3 . Cu6 . 93.9(2) yes
Cl2 . Cu3 . Cu6 . 144.85(8) yes
N2 . Cu3 . Cu6 . 72.1(3) yes
O12 . Cu3 . Cu6 . 30.02(13) yes
O8 . Cu3 . Dy2 . 42.30(17) yes
O4 . Cu3 . Dy2 . 107.22(18) yes
Cl2 . Cu3 . Dy2 . 98.36(7) yes
N2 . Cu3 . Dy2 . 136.8(3) yes
O12 . Cu3 . Dy2 . 98.35(14) yes
O8 . Cu3 . Dy1 . 104.79(19) yes
O4 . Cu3 . Dy1 . 43.41(17) yes
Cl2 . Cu3 . Dy1 . 111.74(8) yes
N2 . Cu3 . Dy1 . 137.8(2) yes
O12 . Cu3 . Dy1 . 95.58(14) yes
O2 . Cu3 . Cu4 . 34.4(2) yes
O2 . Cu3 . Cu6 . 102.0(2) yes
Cu4 . Cu3 . Cu6 . 132.51(5) yes
O2 . Cu3 . Dy2 . 39.35(18) yes
Cu4 . Cu3 . Dy2 . 62.07(3) yes
Cu6 . Cu3 . Dy2 . 70.69(3) yes
O2 . Cu3 . Dy1 . 39.34(17) yes
Cu4 . Cu3 . Dy1 . 63.04(4) yes
Cu6 . Cu3 . Dy1 . 94.88(4) yes
Dy2 . Cu3 . Dy1 . 66.83(3) yes
Cu3 . Cu4 . Cl2 . 49.91(7) yes
Cu3 . Cu4 . O9 . 98.29(18) yes
Cl2 . Cu4 . O9 . 103.0(2) yes
Cu3 . Cu4 . O5 . 93.96(19) yes
Cl2 . Cu4 . O5 . 117.7(2) yes
O9 . Cu4 . O5 . 134.9(3) yes
Cu3 . Cu4 . N3 . 149.6(3) yes
Cl2 . Cu4 . N3 . 100.2(3) yes
O9 . Cu4 . N3 . 93.8(3) yes
O5 . Cu4 . N3 . 97.0(3) yes
Cu3 . Cu4 . O13 . 157.25(16) yes
Cl2 . Cu4 . O13 . 152.53(16) yes
O9 . Cu4 . O13 . 75.7(2) yes
O5 . Cu4 . O13 . 76.5(2) yes
N3 . Cu4 . O13 . 53.1(3) yes
Cu3 . Cu4 . O2 . 34.88(19) yes
Cl2 . Cu4 . O2 . 84.1(2) yes
O9 . Cu4 . O2 . 84.0(2) yes
O5 . Cu4 . O2 . 81.8(3) yes
N3 . Cu4 . O2 . 175.5(3) yes
Cu3 . Cu4 . Cu7 . 132.55(5) yes
Cl2 . Cu4 . Cu7 . 161.83(8) yes
O9 . Cu4 . Cu7 . 94.57(19) yes
O5 . Cu4 . Cu7 . 48.18(19) yes
N3 . Cu4 . Cu7 . 73.5(3) yes
Cu3 . Cu4 . Dy2 . 63.88(4) yes
Cl2 . Cu4 . Dy2 . 97.85(8) yes
O9 . Cu4 . Dy2 . 43.68(18) yes
O5 . Cu4 . Dy2 . 108.6(2) yes
N3 . Cu4 . Dy2 . 136.7(2) yes
Cu3 . Cu4 . Dy1 . 62.90(3) yes
Cl2 . Cu4 . Dy1 . 109.08(7) yes
O9 . Cu4 . Dy1 . 106.55(19) yes
O5 . Cu4 . Dy1 . 43.87(19) yes
N3 . Cu4 . Dy1 . 138.9(3) yes
O13 . Cu4 . O2 . 122.4(2) yes
O13 . Cu4 . Cu7 . 29.91(13) yes
O2 . Cu4 . Cu7 . 102.7(2) yes
O13 . Cu4 . Dy2 . 99.22(14) yes
O2 . Cu4 . Dy2 . 40.62(17) yes
Cu7 . Cu4 . Dy2 . 98.14(4) yes
O13 . Cu4 . Dy1 . 97.31(14) yes
O2 . Cu4 . Dy1 . 38.97(19) yes
Cu7 . Cu4 . Dy1 . 69.65(3) yes
Dy2 . Cu4 . Dy1 . 67.40(3) yes
Cl5 . Cu5 . O11 . 94.3(2) yes
Cl5 . Cu5 . N5 . 99.5(2) yes
O11 . Cu5 . N5 . 92.7(3) yes
Cl5 . Cu5 . N6 . 100.0(2) yes
O11 . Cu5 . N6 . 163.0(3) yes
N5 . Cu5 . N6 . 94.0(4) yes
Cl5 . Cu5 . O12 . 95.1(2) yes
O11 . Cu5 . O12 . 75.1(3) yes
N5 . Cu5 . O12 . 161.6(3) yes
N6 . Cu5 . O12 . 94.4(3) yes
Cl5 . Cu5 . Cu6 . 93.36(8) yes
O11 . Cu5 . Cu6 . 37.9(2) yes
N5 . Cu5 . Cu6 . 129.9(2) yes
N6 . Cu5 . Cu6 . 131.1(3) yes
O12 . Cu5 . Cu6 . 37.3(2) yes
O15 . Cu6 . Cu5 . 87.3(2) yes
O15 . Cu6 . O11 . 88.7(3) yes
Cu5 . Cu6 . O11 . 38.4(2) yes
O15 . Cu6 . O12 . 91.2(3) yes
Cu5 . Cu6 . O12 . 37.5(2) yes
O11 . Cu6 . O12 . 75.7(3) yes
O15 . Cu6 . N7 . 98.5(3) yes
Cu5 . Cu6 . N7 . 133.0(3) yes
O11 . Cu6 . N7 . 94.9(3) yes
O12 . Cu6 . N7 . 166.4(3) yes
O15 . Cu6 . N8 . 98.8(3) yes
Cu5 . Cu6 . N8 . 130.4(3) yes
O11 . Cu6 . N8 . 166.6(3) yes
O12 . Cu6 . N8 . 93.0(3) yes
N7 . Cu6 . N8 . 94.9(4) yes
O15 . Cu6 . O8 . 149.4(3) yes
Cu5 . Cu6 . O8 . 101.15(13) yes
O11 . Cu6 . O8 . 116.1(2) yes
O12 . Cu6 . O8 . 79.0(2) yes
N7 . Cu6 . O8 . 96.9(3) yes
O15 . Cu6 . Cu3 . 133.5(2) yes
Cu5 . Cu6 . Cu3 . 67.87(4) yes
O11 . Cu6 . Cu3 . 93.8(2) yes
O12 . Cu6 . Cu3 . 45.38(19) yes
N7 . Cu6 . Cu3 . 127.4(2) yes
O15 . Cu6 . Cu1 . 130.7(2) yes
Cu5 . Cu6 . Cu1 . 68.30(4) yes
O11 . Cu6 . Cu1 . 45.61(18) yes
O12 . Cu6 . Cu1 . 93.3(2) yes
N7 . Cu6 . Cu1 . 73.1(3) yes
N8 . Cu6 . O8 . 53.5(3) yes
N8 . Cu6 . Cu3 . 73.0(3) yes
O8 . Cu6 . Cu3 . 34.86(13) yes
N8 . Cu6 . Cu1 . 129.9(2) yes
O8 . Cu6 . Cu1 . 79.27(14) yes
Cu3 . Cu6 . Cu1 . 76.89(4) yes
O16 . Cu7 . O14 . 90.9(3) yes
O16 . Cu7 . N12 . 98.8(3) yes
O14 . Cu7 . N12 . 92.4(3) yes
O16 . Cu7 . O13 . 91.7(3) yes
O14 . Cu7 . O13 . 76.2(3) yes
N12 . Cu7 . O13 . 164.7(3) yes
O16 . Cu7 . N11 . 99.0(3) yes
O14 . Cu7 . N11 . 166.2(3) yes
N12 . Cu7 . N11 . 95.6(4) yes
O13 . Cu7 . N11 . 93.8(3) yes
O16 . Cu7 . Cu4 . 134.3(2) yes
O14 . Cu7 . Cu4 . 92.7(2) yes
N12 . Cu7 . Cu4 . 126.5(2) yes
O13 . Cu7 . Cu4 . 45.70(19) yes
N11 . Cu7 . Cu4 . 73.5(3) yes
O16 . Cu7 . Cu8 . 89.50(19) yes
O14 . Cu7 . Cu8 . 38.2(2) yes
N12 . Cu7 . Cu8 . 130.2(3) yes
O13 . Cu7 . Cu8 . 38.1(2) yes
N11 . Cu7 . Cu8 . 131.7(3) yes
Cu4 . Cu7 . Cu8 . 67.19(4) yes
Cl6 . Cu8 . Cu7 . 92.01(9) yes
Cl6 . Cu8 . N9 . 99.0(2) yes
Cu7 . Cu8 . N9 . 127.7(2) yes
Cl6 . Cu8 . O13 . 93.3(2) yes
Cu7 . Cu8 . O13 . 37.8(2) yes
N9 . Cu8 . O13 . 90.4(3) yes
Cl6 . Cu8 . O14 . 93.3(2) yes
Cu7 . Cu8 . O14 . 38.2(2) yes
N9 . Cu8 . O14 . 162.1(3) yes
O13 . Cu8 . O14 . 75.9(3) yes
Cl6 . Cu8 . N10 . 100.0(2) yes
Cu7 . Cu8 . N10 . 131.8(3) yes
N9 . Cu8 . N10 . 96.3(4) yes
O13 . Cu8 . N10 . 164.0(3) yes
O14 . Cu8 . N10 . 94.3(3) yes
Cl6 . Cu8 . Cu2 . 134.71(9) yes
Cu7 . Cu8 . Cu2 . 68.31(4) yes
N9 . Cu8 . Cu2 . 125.6(2) yes
O13 . Cu8 . Cu2 . 93.90(19) yes
O14 . Cu8 . Cu2 . 46.0(2) yes
N10 . Cu8 . Cu2 . 70.4(2) yes
Cu3 . Dy2 . Cu1 . 88.81(3) yes
Cu3 . Dy2 . Cu2 . 112.71(3) yes
Cu1 . Dy2 . Cu2 . 54.05(3) yes
Cu3 . Dy2 . Cu4 . 54.05(3) yes
Cu1 . Dy2 . Cu4 . 113.39(3) yes
Cu2 . Dy2 . Cu4 . 88.73(4) yes
Cu3 . Dy2 . O7 . 98.81(15) yes
Cu1 . Dy2 . O7 . 38.39(16) yes
Cu2 . Dy2 . O7 . 83.88(17) yes
Cu4 . Dy2 . O7 . 146.04(14) yes
Cu3 . Dy2 . O10 . 144.05(16) yes
Cu1 . Dy2 . O10 . 83.89(16) yes
Cu2 . Dy2 . O10 . 37.78(15) yes
Cu4 . Dy2 . O10 . 97.16(18) yes
O7 . Dy2 . O10 . 97.0(2) yes
Cu3 . Dy2 . Cl3 . 125.07(7) yes
Cu1 . Dy2 . Cl3 . 124.25(7) yes
Cu2 . Dy2 . Cl3 . 122.18(7) yes
Cu4 . Dy2 . Cl3 . 122.31(7) yes
O7 . Dy2 . Cl3 . 89.09(16) yes
Cu3 . Dy2 . O9 . 86.07(15) yes
Cu1 . Dy2 . O9 . 145.15(17) yes
Cu2 . Dy2 . O9 . 96.76(17) yes
Cu4 . Dy2 . O9 . 39.52(14) yes
O7 . Dy2 . O9 . 174.4(2) yes
Cu3 . Dy2 . O8 . 39.76(16) yes
Cu1 . Dy2 . O8 . 96.89(17) yes
Cu2 . Dy2 . O8 . 144.90(16) yes
Cu4 . Dy2 . O8 . 85.96(17) yes
O7 . Dy2 . O8 . 81.5(2) yes
Cu3 . Dy2 . O2 . 31.35(15) yes
Cu1 . Dy2 . O2 . 86.96(16) yes
Cu2 . Dy2 . O2 . 86.72(16) yes
Cu4 . Dy2 . O2 . 31.85(15) yes
O7 . Dy2 . O2 . 114.4(2) yes
Cu3 . Dy2 . O1 . 86.12(15) yes
Cu1 . Dy2 . O1 . 31.49(16) yes
Cu2 . Dy2 . O1 . 32.09(14) yes
Cu4 . Dy2 . O1 . 86.88(16) yes
O7 . Dy2 . O1 . 69.6(2) yes
O10 . Dy2 . Cl3 . 87.14(16) yes
O10 . Dy2 . O9 . 80.4(2) yes
Cl3 . Dy2 . O9 . 85.89(16) yes
O10 . Dy2 . O8 . 176.2(2) yes
Cl3 . Dy2 . O8 . 89.35(17) yes
O9 . Dy2 . O8 . 100.9(2) yes
O10 . Dy2 . O2 . 112.9(2) yes
Cl3 . Dy2 . O2 . 145.52(18) yes
O9 . Dy2 . O2 . 71.2(2) yes
O8 . Dy2 . O2 . 70.9(2) yes
O10 . Dy2 . O1 . 69.6(2) yes
Cl3 . Dy2 . O1 . 145.35(17) yes
O9 . Dy2 . O1 . 113.7(2) yes
O8 . Dy2 . O1 . 112.9(2) yes
O2 . Dy2 . O1 . 69.0(2) yes
Cu1 . Dy1 . Cu4 . 112.27(3) yes
Cu1 . Dy1 . Cu2 . 53.84(3) yes
Cu4 . Dy1 . Cu2 . 88.07(3) yes
Cu1 . Dy1 . Cu3 . 89.06(3) yes
Cu4 . Dy1 . Cu3 . 54.05(3) yes
Cu2 . Dy1 . Cu3 . 113.19(3) yes
Cu1 . Dy1 . O5 . 146.37(16) yes
Cu4 . Dy1 . O5 . 38.50(17) yes
Cu2 . Dy1 . O5 . 100.26(16) yes
Cu3 . Dy1 . O5 . 82.25(19) yes
Cu1 . Dy1 . O4 . 100.17(17) yes
Cu4 . Dy1 . O4 . 83.72(17) yes
Cu2 . Dy1 . O4 . 146.79(16) yes
Cu3 . Dy1 . O4 . 38.65(15) yes
O5 . Dy1 . O4 . 93.1(3) yes
Cu1 . Dy1 . O3 . 38.68(14) yes
Cu4 . Dy1 . O3 . 145.45(16) yes
Cu2 . Dy1 . O3 . 83.78(15) yes
Cu3 . Dy1 . O3 . 99.02(17) yes
O5 . Dy1 . O3 . 174.9(2) yes
Cu1 . Dy1 . Cl4 . 123.96(9) yes
Cu4 . Dy1 . Cl4 . 123.76(9) yes
Cu2 . Dy1 . Cl4 . 123.28(8) yes
Cu3 . Dy1 . Cl4 . 123.52(8) yes
O5 . Dy1 . Cl4 . 87.13(18) yes
Cu1 . Dy1 . O6 . 84.00(17) yes
Cu4 . Dy1 . O6 . 98.09(16) yes
Cu2 . Dy1 . O6 . 38.69(15) yes
Cu3 . Dy1 . O6 . 145.78(15) yes
O5 . Dy1 . O6 . 85.2(2) yes
Cu1 . Dy1 . O1 . 31.38(15) yes
Cu4 . Dy1 . O1 . 85.84(16) yes
Cu2 . Dy1 . O1 . 32.06(15) yes
Cu3 . Dy1 . O1 . 86.52(17) yes
O5 . Dy1 . O1 . 115.3(2) yes
Cu1 . Dy1 . O2 . 87.01(16) yes
Cu4 . Dy1 . O2 . 31.03(16) yes
Cu2 . Dy1 . O2 . 86.86(15) yes
Cu3 . Dy1 . O2 . 31.73(14) yes
O5 . Dy1 . O2 . 68.7(2) yes
O4 . Dy1 . O3 . 85.0(2) yes
O4 . Dy1 . Cl4 . 87.37(17) yes
O3 . Dy1 . Cl4 . 88.11(17) yes
O4 . Dy1 . O6 . 174.5(2) yes
O3 . Dy1 . O6 . 96.2(2) yes
Cl4 . Dy1 . O6 . 87.30(16) yes
O4 . Dy1 . O1 . 115.0(2) yes
O3 . Dy1 . O1 . 69.7(2) yes
Cl4 . Dy1 . O1 . 145.83(19) yes
O6 . Dy1 . O1 . 70.4(2) yes
O4 . Dy1 . O2 . 69.8(2) yes
O3 . Dy1 . O2 . 114.8(2) yes
Cl4 . Dy1 . O2 . 145.04(18) yes
O6 . Dy1 . O2 . 114.2(2) yes
O1 . Dy1 . O2 . 69.1(2) yes
Dy3 . Cu9 . Cu10 2_756 63.00(3) yes
Dy3 . Cu9 . O21 . 43.5(2) yes
Cu10 2_756 Cu9 . O21 . 96.3(2) yes
Dy3 . Cu9 . O19 . 106.32(19) yes
Cu10 2_756 Cu9 . O19 . 95.4(2) yes
O21 . Cu9 . O19 . 133.0(3) yes
Dy3 . Cu9 . N13 . 137.7(2) yes
Cu10 2_756 Cu9 . N13 . 151.0(3) yes
O21 . Cu9 . N13 . 95.5(3) yes
O19 . Cu9 . N13 . 95.7(3) yes
Dy3 . Cu9 . O23 . 98.16(14) yes
Cu10 2_756 Cu9 . O23 . 155.49(16) yes
O21 . Cu9 . O23 . 76.7(3) yes
O19 . Cu9 . O23 . 74.1(2) yes
N13 . Cu9 . O23 . 53.5(3) yes
Dy3 . Cu9 . O17 . 39.23(17) yes
Cu10 2_756 Cu9 . O17 . 35.0(2) yes
O21 . Cu9 . O17 . 82.3(3) yes
O19 . Cu9 . O17 . 81.9(3) yes
N13 . Cu9 . O17 . 174.0(4) yes
Dy3 . Cu9 . Cu11 . 70.12(3) yes
Cu10 2_756 Cu9 . Cu11 . 132.84(5) yes
O21 . Cu9 . Cu11 . 48.2(2) yes
O19 . Cu9 . Cu11 . 92.72(19) yes
N13 . Cu9 . Cu11 . 73.2(3) yes
Dy3 . Cu9 . Cl7 . 106.23(10) yes
Cu10 2_756 Cu9 . Cl7 . 52.14(9) yes
O21 . Cu9 . Cl7 . 112.5(2) yes
O19 . Cu9 . Cl7 . 110.6(2) yes
N13 . Cu9 . Cl7 . 98.9(3) yes
O23 . Cu9 . O17 . 120.5(3) yes
O23 . Cu9 . Cu11 . 30.15(14) yes
O17 . Cu9 . Cu11 . 101.34(19) yes
O23 . Cu9 . Cl7 . 152.20(17) yes
O17 . Cu9 . Cl7 . 87.2(2) yes
Cu11 . Cu9 . Cl7 . 156.23(11) yes
Dy3 2_756 Cu10 . Cu9 2_756 63.06(3) yes
Dy3 2_756 Cu10 . Cl7 2_756 105.95(9) yes
Cu9 2_756 Cu10 . Cl7 2_756 51.74(9) yes
Dy3 2_756 Cu10 . O18 . 43.3(2) yes
Cu9 2_756 Cu10 . O18 . 95.7(2) yes
Cl7 2_756 Cu10 . O18 . 111.5(2) yes
Dy3 2_756 Cu10 . O20 . 105.24(18) yes
Cu9 2_756 Cu10 . O20 . 95.3(2) yes
Cl7 2_756 Cu10 . O20 . 111.4(2) yes
O18 . Cu10 . O20 . 132.7(3) yes
Dy3 2_756 Cu10 . N14 . 137.2(3) yes
Cu9 2_756 Cu10 . N14 . 150.9(3) yes
Cl7 2_756 Cu10 . N14 . 99.1(3) yes
O18 . Cu10 . N14 . 95.3(3) yes
O20 . Cu10 . N14 . 96.8(3) yes
Dy3 2_756 Cu10 . O22 . 95.71(13) yes
Cu9 2_756 Cu10 . O22 . 155.50(16) yes
Cl7 2_756 Cu10 . O22 . 152.58(18) yes
O18 . Cu10 . O22 . 73.4(2) yes
O20 . Cu10 . O22 . 77.8(3) yes
Dy3 2_756 Cu10 . O17 2_756 39.32(18) yes
Cu9 2_756 Cu10 . O17 2_756 35.0(2) yes
Cl7 2_756 Cu10 . O17 2_756 86.7(2) yes
O18 . Cu10 . O17 2_756 82.1(3) yes
O20 . Cu10 . O17 2_756 81.2(3) yes
N14 . Cu10 . O22 . 53.6(3) yes
N14 . Cu10 . O17 2_756 174.2(4) yes
O22 . Cu10 . O17 2_756 120.6(3) yes
O22 . Cu12 . N15 . 162.8(4) yes
O22 . Cu12 . O23 . 75.1(3) yes
N15 . Cu12 . O23 . 92.1(3) yes
O22 . Cu12 . N16 . 92.9(3) yes
N15 . Cu12 . N16 . 97.1(3) yes
O23 . Cu12 . N16 . 163.7(3) yes
O22 . Cu12 . Dy3 2_756 90.2(2) yes
N15 . Cu12 . Dy3 2_756 78.4(3) yes
O23 . Cu12 . Dy3 2_756 91.0(2) yes
N16 . Cu12 . Dy3 2_756 77.8(3) yes
O22 . Cu12 . Cu11 . 37.3(2) yes
N15 . Cu12 . Cu11 . 129.5(3) yes
O23 . Cu12 . Cu11 . 37.95(19) yes
N16 . Cu12 . Cu11 . 129.7(2) yes
Dy3 2_756 Cu12 . Cu11 . 92.51(4) yes
O22 . Cu12 . Cl9 . 93.5(2) yes
N15 . Cu12 . Cl9 . 98.5(3) yes
O23 . Cu12 . Cl9 . 92.4(2) yes
N16 . Cu12 . Cl9 . 99.5(3) yes
Dy3 2_756 Cu12 . Cl9 . 175.52(10) yes
Cu11 . Cu12 . Cl9 . 91.96(10) yes
Cu12 . Cu11 . O24 . 89.83(15) yes
Cu12 . Cu11 . N17 . 132.4(3) yes
O24 . Cu11 . N17 . 98.1(3) yes
Cu12 . Cu11 . O23 . 37.5(2) yes
O24 . Cu11 . O23 . 92.2(3) yes
N17 . Cu11 . O23 . 165.9(3) yes
Cu12 . Cu11 . O22 . 37.95(19) yes
O24 . Cu11 . O22 . 90.3(3) yes
N17 . Cu11 . O22 . 94.8(3) yes
O23 . Cu11 . O22 . 75.4(3) yes
Cu12 . Cu11 . N18 . 128.6(2) yes
O24 . Cu11 . N18 . 98.7(3) yes
N17 . Cu11 . N18 . 96.6(4) yes
O23 . Cu11 . N18 . 91.3(3) yes
O22 . Cu11 . N18 . 164.2(3) yes
Cu12 . Cu11 . Cu9 . 66.68(4) yes
O24 . Cu11 . Cu9 . 134.04(15) yes
N17 . Cu11 . Cu9 . 127.2(3) yes
O23 . Cu11 . Cu9 . 45.1(2) yes
O22 . Cu11 . Cu9 . 92.9(2) yes
N18 . Cu11 . Cu9 . 71.5(2) yes
Cu10 2_756 Cl7 . Cu9 . 76.12(11) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 . C2 . 1.382(15) yes
C1 . N1 . 1.334(13) yes
C1 . H1 . 0.939 no
C2 . C3 . 1.396(16) yes
C2 . H2 . 0.935 no
C3 . C4 . 1.392(16) yes
C3 . H3 . 0.942 no
C4 . C5 . 1.394(15) yes
C4 . H4 . 0.942 no
C5 . N1 . 1.376(12) yes
C5 . O11 . 1.326(13) yes
C6 . C7 . 1.410(15) yes
C6 . N2 . 1.322(14) yes
C6 . H6 . 0.935 no
C7 . C8 . 1.342(17) yes
C7 . H7 . 0.936 no
C8 . C9 . 1.447(17) yes
C8 . H8 . 0.941 no
C9 . C10 . 1.388(14) yes
C9 . H9 . 0.937 no
C10 . N2 . 1.393(14) yes
C10 . O12 . 1.329(13) yes
C11 . C12 . 1.392(16) yes
C11 . N3 . 1.362(15) yes
C11 . H11 . 0.941 no
C12 . C13 . 1.419(18) yes
C12 . H12 . 0.937 no
C13 . C14 . 1.350(18) yes
C13 . H13 . 0.939 no
C14 . C15 . 1.417(15) yes
C14 . H14 . 0.941 no
C15 . N3 . 1.387(14) yes
C15 . O13 . 1.335(13) yes
C16 . C17 . 1.388(16) yes
C16 . N4 . 1.330(14) yes
C16 . H16 . 0.938 no
C17 . C18 . 1.379(19) yes
C17 . H17 . 0.939 no
C18 . C19 . 1.371(18) yes
C18 . H18 . 0.938 no
C19 . C20 . 1.417(15) yes
C19 . H19 . 0.940 no
C20 . N4 . 1.383(15) yes
C20 . O14 . 1.358(14) yes
C21 . C22 . 1.337(16) yes
C21 . N5 . 1.400(12) yes
C21 . H21 . 0.941 no
C22 . C23 . 1.410(17) yes
C22 . H22 . 0.939 no
C23 . C24 . 1.382(14) yes
C23 . H23 . 0.937 no
C24 . C25 . 1.403(15) yes
C24 . H24 . 0.945 no
C25 . N5 . 1.359(12) yes
C25 . O3 . 1.320(11) yes
C26 . C27 . 1.340(17) yes
C26 . N6 . 1.358(12) yes
C26 . H26 . 0.939 no
C27 . C28 . 1.440(18) yes
C27 . H27 . 0.940 no
C28 . C29 . 1.369(14) yes
C28 . H28 . 0.937 no
C29 . C30 . 1.420(15) yes
C29 . H29 . 0.939 no
C30 . N6 . 1.364(13) yes
C30 . O4 . 1.337(11) yes
C31 . C32 . 1.343(16) yes
C31 . N7 . 1.382(14) yes
C31 . H31 . 0.940 no
C32 . C33 . 1.381(17) yes
C32 . H32 . 0.933 no
C33 . C34 . 1.403(16) yes
C33 . H33 . 0.935 no
C34 . C35 . 1.420(14) yes
C34 . H34 . 0.941 no
C35 . N7 . 1.349(13) yes
C35 . O7 . 1.341(12) yes
C36 . C37 . 1.380(17) yes
C36 . N8 . 1.385(14) yes
C36 . H36 . 0.940 no
C37 . C38 . 1.391(18) yes
C37 . H37 . 0.938 no
C38 . C39 . 1.390(16) yes
C38 . H38 . 0.939 no
C39 . C40 . 1.429(15) yes
C39 . H39 . 0.939 no
C40 . N8 . 1.381(13) yes
C40 . O8 . 1.339(12) yes
C41 . C42 . 1.336(16) yes
C41 . N9 . 1.378(12) yes
C41 . H41 . 0.944 no
C42 . C43 . 1.441(16) yes
C42 . H42 . 0.942 no
C43 . C44 . 1.386(15) yes
C43 . H43 . 0.934 no
C44 . C45 . 1.421(15) yes
C44 . H44 . 0.940 no
C45 . N9 . 1.345(12) yes
C45 . O9 . 1.321(11) yes
C46 . C47 . 1.335(16) yes
C46 . N10 . 1.397(11) yes
C46 . H46 . 0.939 no
C47 . C48 . 1.385(17) yes
C47 . H47 . 0.939 no
C48 . C49 . 1.418(13) yes
C48 . H48 . 0.936 no
C49 . C50 . 1.418(15) yes
C49 . H49 . 0.935 no
C50 . N10 . 1.327(13) yes
C50 . O10 . 1.327(10) yes
C51 . C52 . 1.384(16) yes
C51 . N11 . 1.347(13) yes
C51 . H51 . 0.938 no
C52 . C53 . 1.399(17) yes
C52 . H52 . 0.934 no
C53 . C54 . 1.406(16) yes
C53 . H53 . 0.935 no
C54 . C55 . 1.427(15) yes
C54 . H54 . 0.941 no
C55 . N11 . 1.361(13) yes
C55 . O5 . 1.330(13) yes
C56 . C57 . 1.388(17) yes
C56 . N12 . 1.352(13) yes
C56 . H56 . 0.936 no
C57 . C58 . 1.415(17) yes
C57 . H57 . 0.933 no
C58 . C59 . 1.401(15) yes
C58 . H58 . 0.936 no
C59 . C60 . 1.409(16) yes
C59 . H59 . 0.938 no
C60 . N12 . 1.350(13) yes
C60 . O6 . 1.338(12) yes
C61 . C62 . 1.364(16) yes
C61 . N13 . 1.369(14) yes
C61 . H61 . 0.938 no
C62 . C63 . 1.413(18) yes
C62 . H62 . 0.936 no
C63 . C64 . 1.426(17) yes
C63 . H63 . 0.935 no
C64 . C65 . 1.431(16) yes
C64 . H64 . 0.938 no
C65 . N13 . 1.366(15) yes
C65 . O23 . 1.336(13) yes
C66 . C67 . 1.357(17) yes
C66 . N14 . 1.374(14) yes
C66 . H66 . 0.938 no
C67 . C68 . 1.415(19) yes
C67 . H67 . 0.939 no
C68 . C69 . 1.383(17) yes
C68 . H68 . 0.939 no
C69 . C70 . 1.397(16) yes
C69 . H69 . 0.941 no
C70 . N14 . 1.373(14) yes
C70 . O22 . 1.338(13) yes
C71 . C72 . 1.404(15) yes
C71 . N15 . 1.356(14) yes
C71 . H71 . 0.935 no
C72 . C73 . 1.369(18) yes
C72 . H72 . 0.937 no
C73 . C74 . 1.376(16) yes
C73 . H73 . 0.944 no
C74 . C75 . 1.408(14) yes
C74 . H74 . 0.937 no
C75 . N15 . 1.351(14) yes
C75 . O19 . 1.338(12) yes
C76 . C77 . 1.365(18) yes
C76 . N16 . 1.377(15) yes
C76 . H76 . 0.936 no
C77 . C78 . 1.354(19) yes
C77 . H77 . 0.936 no
C78 . C79 . 1.378(18) yes
C78 . H78 . 0.935 no
C79 . C80 . 1.432(16) yes
C79 . H79 . 0.938 no
C80 . N16 . 1.368(14) yes
C80 . O18 . 1.326(12) yes
C81 . C82 . 1.400(14) yes
C81 . N17 . 1.352(11) yes
C81 . H81 . 0.939 no
C82 . C83 . 1.374(15) yes
C82 . H82 . 0.942 no
C83 . C84 . 1.410(13) yes
C83 . H83 . 0.943 no
C84 . C85 . 1.427(13) yes
C84 . H84 . 0.940 no
C85 . N17 . 1.343(14) yes
C85 . O20 . 1.323(10) yes
C86 . C87 . 1.36(2) yes
C86 . N18 . 1.359(14) yes
C86 . H86 . 0.936 no
C87 . C88 . 1.42(2) yes
C87 . H87 . 0.937 no
C88 . C89 . 1.417(18) yes
C88 . H88 . 0.937 no
C89 . C90 . 1.370(17) yes
C89 . H89 . 0.935 no
C90 . N18 . 1.367(15) yes
C90 . O21 . 1.356(12) yes
N13 . Cu9 . 1.972(9) yes
N14 . Cu10 . 1.963(9) yes
N15 . Cu12 . 2.011(8) yes
N16 . Cu12 . 1.992(10) yes
N17 . Cu11 . 2.019(8) yes
N18 . Cu11 . 1.966(10) yes
O17 . Dy3 2_756 2.288(7) yes
O17 . Cu10 2_756 1.885(7) yes
O17 . Dy3 . 2.280(6) yes
O17 . Cu9 . 1.881(7) yes
O18 . Dy3 2_756 2.356(7) yes
O18 . Cu10 . 2.149(6) yes
O19 . Dy3 2_756 2.366(7) yes
O19 . Cu9 . 2.102(7) yes
O20 . Dy3 . 2.341(7) yes
O20 . Cu10 . 2.133(7) yes
O21 . Dy3 . 2.365(7) yes
O21 . Cu9 . 2.131(6) yes
O22 . Cu10 . 2.834(8) yes
O22 . Cu12 . 2.020(6) yes
O22 . Cu11 . 1.989(8) yes
O23 . Cu9 . 2.847(7) yes
O23 . Cu12 . 1.997(8) yes
O23 . Cu11 . 2.018(7) yes
O24 . Cu11 . 2.502(8) yes
O24 . H242 . 0.828 no
O24 . H241 . 0.826 no
Dy3 . Cu10 2_756 3.4002(12) yes
Dy3 . Dy3 2_756 3.7319(9) yes
Dy3 . Cu12 2_756 4.1687(15) yes
Dy3 . Cu9 . 3.4019(13) yes
Dy3 . Cl8 . 2.643(2) yes
Cl1 . Cu1 . 2.468(3) yes
Cl1 . Cu2 . 2.478(3) yes
Cl2 . Cu3 . 2.426(3) yes
Cl2 . Cu4 . 2.521(3) yes
Cl3 . Dy2 . 2.673(2) yes
Cl4 . Dy1 . 2.646(3) yes
Cl5 . Cu5 . 2.597(3) yes
Cl6 . Cu8 . 2.652(3) yes
N1 . Cu1 . 1.976(9) yes
N2 . Cu3 . 1.961(9) yes
N3 . Cu4 . 1.941(10) yes
N4 . Cu2 . 1.955(9) yes
N5 . Cu5 . 2.007(9) yes
N6 . Cu5 . 1.997(9) yes
N7 . Cu6 . 1.987(9) yes
N8 . Cu6 . 1.978(9) yes
N9 . Cu8 . 2.009(9) yes
N10 . Cu8 . 1.998(9) yes
N11 . Cu7 . 1.987(9) yes
N12 . Cu7 . 1.990(9) yes
O1 . Cu1 . 1.890(6) yes
O1 . Cu2 . 1.903(6) yes
O1 . Dy2 . 2.267(6) yes
O1 . Dy1 . 2.288(6) yes
O2 . Cu3 . 1.892(6) yes
O2 . Cu4 . 1.869(6) yes
O2 . Dy2 . 2.306(6) yes
O2 . Dy1 . 2.281(6) yes
O3 . Cu1 . 2.162(6) yes
O3 . Dy1 . 2.350(7) yes
O4 . Cu3 . 2.146(7) yes
O4 . Dy1 . 2.362(6) yes
O5 . Cu4 . 2.140(7) yes
O5 . Dy1 . 2.383(7) yes
O6 . Cu2 . 2.152(6) yes
O6 . Dy1 . 2.331(6) yes
O7 . Cu1 . 2.135(7) yes
O7 . Dy2 . 2.380(7) yes
O8 . Cu3 . 2.217(6) yes
O8 . Cu6 . 2.869(7) yes
O8 . Dy2 . 2.333(7) yes
O9 . Cu4 . 2.165(6) yes
O9 . Dy2 . 2.349(7) yes
O10 . Cu2 . 2.103(6) yes
O10 . Dy2 . 2.366(6) yes
O11 . Cu1 . 2.839(7) yes
O11 . Cu5 . 2.023(7) yes
O11 . Cu6 . 2.000(7) yes
O12 . Cu3 . 2.829(7) yes
O12 . Cu5 . 1.995(7) yes
O12 . Cu6 . 1.988(7) yes
O13 . Cu4 . 2.853(7) yes
O13 . Cu7 . 1.988(7) yes
O13 . Cu8 . 2.001(7) yes
O14 . Cu2 . 2.855(7) yes
O14 . Cu7 . 2.000(7) yes
O14 . Cu8 . 2.000(7) yes
O15 . Cu6 . 2.371(8) yes
O15 . H151 . 0.827 no
O15 . H152 . 0.834 no
O16 . Cu7 . 2.356(8) yes
O16 . H162 . 0.838 no
O16 . H161 . 0.830 no
Cu1 . Cu2 . 3.0896(17) yes
Cu1 . Cu6 . 3.8518(18) yes
Cu1 . Dy2 . 3.4064(13) yes
Cu1 . Dy1 . 3.4205(14) yes
Cu2 . Cu8 . 3.8559(18) yes
Cu2 . Dy2 . 3.3934(14) yes
Cu2 . Dy1 . 3.4038(12) yes
Cu3 . Cu4 . 3.0952(18) yes
Cu3 . Cu6 . 3.8455(19) yes
Cu3 . Dy2 . 3.4328(12) yes
Cu3 . Dy1 . 3.4036(14) yes
Cu4 . Cu7 . 3.8610(19) yes
Cu4 . Dy2 . 3.3779(15) yes
Cu4 . Dy1 . 3.4078(14) yes
Cu5 . Cu6 . 3.1641(17) yes
Cu7 . Cu8 . 3.1449(17) yes
Cu9 . Cu10 2_756 3.0848(19) yes
Cu9 . Cu11 . 3.8862(18) yes
Cu9 . Cl7 . 2.495(4) yes
Cu10 . Cl7 2_756 2.509(4) yes
Cu12 . Cu11 . 3.1762(17) yes
Cu12 . Cl9 . 2.625(5) yes
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.001 0.000 0.000 2287 282 ' '
2 -0.021 0.500 0.500 2279 281 ' '
