#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:50:47 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179396 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/93/4329382.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_4329382
loop_
_publ_author_name
'Lang Zhao'
'Shufang Xue'
'Jinkui Tang'
_publ_section_title
;
 A Dodecanuclear Dysprosium Wheel Assembled by Six Vertex-Sharing Dy3
 Triangles Exhibiting Slow Magnetic Relaxation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5994
_journal_page_last               5996
_journal_paper_doi               10.1021/ic3005807
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C252 H292 Cl4 Dy24 N36 O124'
_chemical_formula_weight         9851.02
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.709(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   31.6887(18)
_cell_length_b                   22.8539(18)
_cell_length_c                   25.1440(17)
_cell_measurement_reflns_used    9909
_cell_measurement_temperature    185(2)
_cell_measurement_theta_max      20.96
_cell_measurement_theta_min      2.24
_cell_volume                     17613(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      185(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_av_sigmaI/netI    0.0600
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            45013
_diffrn_reflns_theta_full        25.09
_diffrn_reflns_theta_max         25.09
_diffrn_reflns_theta_min         1.11
_exptl_absorpt_coefficient_mu    5.134
_exptl_absorpt_correction_T_max  0.4119
_exptl_absorpt_correction_T_min  0.3175
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.858
_exptl_crystal_F_000             9400
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.21
_refine_diff_density_max         2.366
_refine_diff_density_min         -2.038
_refine_diff_density_rms         0.238
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     974
_refine_ls_number_reflns         16043
_refine_ls_number_restraints     746
_refine_ls_restrained_S_all      1.130
_refine_ls_R_factor_all          0.0997
_refine_ls_R_factor_gt           0.0744
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1357P)²+92.7053P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2170
_refine_ls_wR_factor_ref         0.2351
_reflns_number_gt                11069
_reflns_number_total             16043
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic3005807_si_002_1.cif
_cod_data_source_block           Dy12
_cod_database_code               4329382
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Dy1 Dy 1.0000 0.33161(3) 0.5000 0.0511(3) Uani 1 2 d S .
Dy2 Dy 0.903048(16) 0.41944(2) 0.52094(3) 0.03905(18) Uani 1 1 d . .
Dy3 Dy 0.94161(3) 0.5000 0.65380(4) 0.0529(3) Uani 1 2 d S .
Dy4 Dy 1.09449(2) 0.35729(3) 0.61830(3) 0.0664(3) Uani 1 1 d . .
Dy5 Dy 1.00052(2) 0.91695(3) 1.12974(3) 0.0534(2) Uani 1 1 d . .
Dy6 Dy 1.0000 0.8309(13) 1.0000 0.044(6) Uani 0.25 2 d SPU 1
Dy6A Dy 0.9888(2) 0.8357(4) 0.9979(4) 0.0363(9) Uani 0.38 1 d PU 2
Dy7 Dy 0.8912(3) 1.0000 1.1021(4) 0.052(2) Uani 0.25 2 d SPDU 1
Dy7A Dy 0.89868(11) 0.98159(15) 1.11755(14) 0.0442(7) Uani 0.38 1 d PU 2
Dy8 Dy 0.88776(8) 0.87250(11) 0.88950(12) 0.0564(6) Uani 0.50 1 d PU 1
Dy8A Dy 0.90171(7) 0.85660(11) 0.90172(12) 0.0486(5) Uani 0.50 1 d PU 2
O1 O 0.9726(4) 0.2438(5) 0.5445(6) 0.088(4) Uani 1 1 d . .
O2 O 0.9374(3) 0.2858(4) 0.4463(5) 0.076(3) Uani 1 1 d . .
O3 O 0.8770(3) 0.3196(4) 0.5412(5) 0.063(3) Uani 1 1 d . .
O4 O 0.8645(3) 0.3662(4) 0.4436(4) 0.061(3) Uani 1 1 d . .
O5 O 0.8878(3) 0.4355(4) 0.6064(4) 0.051(2) Uani 1 1 d . .
O6 O 0.8214(3) 0.4277(4) 0.5216(5) 0.065(3) Uani 1 1 d . .
O7 O 0.9456(3) 0.5000 0.5619(5) 0.039(3) Uani 1 2 d S .
O8 O 1.0513(2) 0.4017(3) 0.5369(3) 0.0400(19) Uani 1 1 d . .
O9 O 1.0964(3) 0.4526(5) 0.6404(4) 0.068(3) Uani 1 1 d . .
O10 O 1.0397(3) 0.5000 0.5859(5) 0.041(3) Uani 1 2 d S .
O11 O 0.9819(3) 0.5826(5) 0.6504(4) 0.068(3) Uani 1 1 d . .
O12 O 0.9684(3) 0.6278(4) 0.5709(4) 0.054(2) Uani 1 1 d . .
O13 O 1.0279(3) 0.6484(4) 0.6343(4) 0.066(3) Uani 1 1 d . .
O14 O 0.8789(3) 0.5000 0.4740(5) 0.046(3) Uani 1 2 d S .
O15 O 1.0190(4) 0.8190(4) 0.8313(4) 0.069(3) Uani 1 1 d . .
O16 O 0.9420(3) 0.8516(4) 0.8399(4) 0.063(3) Uani 1 1 d . .
O17 O 1.0233(7) 0.7382(8) 0.9498(7) 0.135(6) Uani 1 1 d U .
O18 O 0.9391(5) 0.7911(6) 0.9401(6) 0.115(5) Uani 1 1 d U .
O19 O 1.0159(5) 0.9261(6) 1.2345(6) 0.106(4) Uani 1 1 d U .
O20 O 0.9413(4) 0.9372(5) 1.1664(5) 0.093(4) Uani 1 1 d U .
O21 O 0.9644(4) 1.0000 1.0901(5) 0.051(3) Uani 1 2 d S .
O22 O 1.0466(4) 1.0000 1.1486(5) 0.058(3) Uani 1 2 d S .
O23 O 1.1081(3) 0.9519(5) 1.1448(5) 0.087(3) Uani 1 1 d U .
C64 C 0.9171(4) 0.8779(7) 1.0378(5) 0.038(3) Uani 0.50 1 d PDU 1
O24 O 0.9583(3) 0.8672(5) 1.0561(5) 0.020(2) Uani 0.50 1 d PDU 1
O25 O 0.9000(5) 0.9006(7) 1.0738(6) 0.047(3) Uani 0.50 1 d PDU 1
O26 O 0.8972(4) 0.8654(7) 0.9890(5) 0.043(3) Uani 0.50 1 d PDU 1
C64A C 0.8922(10) 0.9675(15) 0.9948(16) 0.077(4) Uani 0.50 1 d PU 2
O24A O 0.9285(5) 1.0000 0.9845(7) 0.077(3) Uani 1 2 d SU 2
O25A O 0.8766(6) 0.9773(9) 1.0306(10) 0.077(4) Uani 0.50 1 d PU 2
O26A O 0.8744(6) 0.9249(10) 0.9578(10) 0.079(4) Uani 0.50 1 d PU 2
O27 O 0.9635(3) 0.9063(4) 0.9394(4) 0.050(2) Uani 1 1 d . .
N1 N 0.8869(6) 0.2574(9) 0.3369(8) 0.109(5) Uani 1 1 d U .
N2 N 0.8903(5) 0.3646(8) 0.2758(7) 0.098(5) Uani 1 1 d U .
N3 N 0.8259(5) 0.3553(8) 0.3367(8) 0.097(5) Uani 1 1 d U .
N4 N 0.9967(8) 0.5000 0.7471(11) 0.110(8) Uani 1 2 d SU .
N5 N 0.9184(5) 0.4342(6) 0.7231(6) 0.072(4) Uani 1 1 d U .
N6 N 0.8501(5) 0.8392(6) 0.8016(6) 0.077(4) Uani 1 1 d U .
C1 C 0.9918(6) 0.2253(9) 0.5999(9) 0.098(6) Uani 1 1 d U .
H1A H 0.9763 0.1907 0.6082 0.148 Uiso 1 1 calc R .
H1B H 0.9896 0.2569 0.6253 0.148 Uiso 1 1 calc R .
H1C H 1.0226 0.2155 0.6039 0.148 Uiso 1 1 calc R .
C2 C 0.9427(4) 0.2084(5) 0.5111(5) 0.074(4) Uani 1 1 d GU .
C3 C 0.9292(5) 0.1543(6) 0.5254(6) 0.127(8) Uani 1 1 d GU .
H3A H 0.9405 0.1396 0.5616 0.152 Uiso 1 1 calc R .
C4 C 0.8993(5) 0.1218(6) 0.4871(7) 0.148(10) Uani 1 1 d GU .
H4A H 0.8900 0.0847 0.4969 0.178 Uiso 1 1 calc R .
C5 C 0.8828(5) 0.1434(6) 0.4345(7) 0.109(7) Uani 1 1 d GU .
H5A H 0.8622 0.1210 0.4082 0.131 Uiso 1 1 calc R .
C6 C 0.8962(4) 0.1974(6) 0.4201(6) 0.096(6) Uani 1 1 d GU .
C7 C 0.9261(4) 0.2300(5) 0.4584(5) 0.078(5) Uani 1 1 d GU .
C8 C 0.8821(6) 0.2105(9) 0.3637(9) 0.091(5) Uani 1 1 d U .
H8A H 0.8665 0.1799 0.3416 0.109 Uiso 1 1 calc R .
C9 C 0.8711(8) 0.2589(11) 0.2762(11) 0.125(8) Uani 1 1 d U .
H9A H 0.8773 0.2209 0.2609 0.150 Uiso 1 1 calc R .
H9B H 0.8391 0.2649 0.2657 0.150 Uiso 1 1 calc R .
C10 C 0.8912(9) 0.3035(12) 0.2543(11) 0.132(8) Uani 1 1 d U .
H10A H 0.8778 0.3046 0.2142 0.159 Uiso 1 1 calc R .
H10B H 0.9222 0.2925 0.2593 0.159 Uiso 1 1 calc R .
C11 C 0.8475(8) 0.3957(11) 0.2545(11) 0.126(8) Uani 1 1 d U .
H11A H 0.8365 0.3875 0.2147 0.151 Uiso 1 1 calc R .
H11B H 0.8524 0.4384 0.2589 0.151 Uiso 1 1 calc R .
C12 C 0.8122(9) 0.3775(13) 0.2839(13) 0.145(10) Uani 1 1 d U .
H12A H 0.7937 0.4121 0.2852 0.173 Uiso 1 1 calc R .
H12B H 0.7933 0.3477 0.2609 0.173 Uiso 1 1 calc R .
C13 C 0.7988(6) 0.3219(9) 0.3532(9) 0.088(5) Uani 1 1 d U .
H13A H 0.7719 0.3127 0.3278 0.105 Uiso 1 1 calc R .
C14 C 0.8065(4) 0.2995(5) 0.4043(5) 0.085(5) Uani 1 1 d GU .
C15 C 0.7803(4) 0.2537(6) 0.4116(6) 0.110(7) Uani 1 1 d GU .
H15A H 0.7583 0.2394 0.3814 0.132 Uiso 1 1 calc R .
C16 C 0.7861(4) 0.2287(5) 0.4627(6) 0.099(6) Uani 1 1 d GU .
H16A H 0.7680 0.1971 0.4678 0.119 Uiso 1 1 calc R .
C17 C 0.8179(4) 0.2494(5) 0.5065(5) 0.098(6) Uani 1 1 d GU .
H17A H 0.8219 0.2321 0.5418 0.118 Uiso 1 1 calc R .
C18 C 0.8441(3) 0.2951(5) 0.4992(5) 0.070(4) Uani 1 1 d GU .
C19 C 0.8384(3) 0.3202(5) 0.4481(5) 0.067(4) Uani 1 1 d GU .
C20 C 0.8873(6) 0.2946(8) 0.5962(8) 0.084(5) Uani 1 1 d U .
H20A H 0.8742 0.2556 0.5949 0.126 Uiso 1 1 calc R .
H20B H 0.8756 0.3199 0.6205 0.126 Uiso 1 1 calc R .
H20C H 0.9190 0.2915 0.6103 0.126 Uiso 1 1 calc R .
C21 C 0.9932(7) 0.4432(11) 0.7735(10) 0.118(7) Uani 1 1 d U .
H21A H 1.0033 0.4118 0.7525 0.141 Uiso 1 1 calc R .
H21B H 1.0126 0.4434 0.8111 0.141 Uiso 1 1 calc R .
C22 C 0.9497(7) 0.4302(11) 0.7765(9) 0.111(7) Uani 1 1 d U .
H22A H 0.9412 0.4580 0.8022 0.133 Uiso 1 1 calc R .
H22B H 0.9489 0.3902 0.7913 0.133 Uiso 1 1 calc R .
C23 C 0.8820(7) 0.4118(8) 0.7174(8) 0.082(5) Uani 1 1 d U .
H23A H 0.8774 0.3931 0.7492 0.098 Uiso 1 1 calc R .
C24 C 0.8453(3) 0.4101(4) 0.6695(4) 0.060(4) Uani 1 1 d GU .
C25 C 0.8048(4) 0.3954(5) 0.6779(4) 0.085(5) Uani 1 1 d GU .
H25A H 0.8021 0.3877 0.7141 0.102 Uiso 1 1 calc R .
C26 C 0.7683(3) 0.3921(5) 0.6334(5) 0.090(5) Uani 1 1 d GU .
H26A H 0.7407 0.3820 0.6392 0.108 Uiso 1 1 calc R .
C27 C 0.7723(3) 0.4034(5) 0.5805(4) 0.083(5) Uani 1 1 d GU .
H27A H 0.7474 0.4011 0.5502 0.100 Uiso 1 1 calc R .
C28 C 0.8127(3) 0.4180(4) 0.5721(4) 0.054(3) Uani 1 1 d GU .
C29 C 0.8492(3) 0.4214(4) 0.6166(4) 0.055(3) Uani 1 1 d GU .
C30 C 0.7849(5) 0.4236(8) 0.4767(8) 0.078(5) Uani 1 1 d U .
H30A H 0.7583 0.4273 0.4895 0.118 Uiso 1 1 calc R .
H30B H 0.7850 0.3857 0.4586 0.118 Uiso 1 1 calc R .
H30C H 0.7858 0.4551 0.4505 0.118 Uiso 1 1 calc R .
C31 C 1.0772(8) 0.5000 0.6236(9) 0.066(6) Uani 1 2 d SU .
C32 C 0.9936(4) 0.6182(6) 0.6204(6) 0.046(3) Uani 1 1 d U .
C33 C 1.0618(5) 0.8015(8) 0.8306(7) 0.079(5) Uani 1 1 d U .
H33A H 1.0831 0.8274 0.8544 0.119 Uiso 1 1 calc R .
H33B H 1.0650 0.8038 0.7929 0.119 Uiso 1 1 calc R .
H33C H 1.0667 0.7611 0.8439 0.119 Uiso 1 1 calc R .
C34 C 0.9427(3) 0.8066(4) 0.8036(4) 0.066(4) Uani 1 1 d GU .
C35 C 0.9830(3) 0.7879(5) 0.7993(4) 0.067(4) Uani 1 1 d GU .
C36 C 0.9860(4) 0.7435(5) 0.7634(5) 0.088(5) Uani 1 1 d GU .
H36A H 1.0138 0.7307 0.7604 0.106 Uiso 1 1 calc R .
C37 C 0.9487(4) 0.7178(5) 0.7319(5) 0.083(5) Uani 1 1 d GU .
H37A H 0.9508 0.6871 0.7072 0.099 Uiso 1 1 calc R .
C38 C 0.9084(4) 0.7364(5) 0.7362(5) 0.097(6) Uani 1 1 d GU .
H38A H 0.8827 0.7186 0.7145 0.116 Uiso 1 1 calc R .
C39 C 0.9054(3) 0.7808(5) 0.7721(5) 0.068(4) Uani 1 1 d GU .
C40 C 0.8624(6) 0.8046(8) 0.7696(8) 0.077(5) Uani 1 1 d U .
H40A H 0.8399 0.7920 0.7390 0.093 Uiso 1 1 calc R .
C41 C 0.8048(7) 0.8567(10) 0.7864(10) 0.102(6) Uani 1 1 d U .
H41A H 0.7851 0.8225 0.7835 0.123 Uiso 1 1 calc R .
H41B H 0.7975 0.8787 0.7514 0.123 Uiso 1 1 calc R .
C42 C 0.8028(8) 0.9022(11) 0.8434(10) 0.131(8) Uani 1 1 d DU .
H42A H 0.8177 0.9396 0.8400 0.131 Uiso 1 1 calc R .
H42B H 0.7719 0.9114 0.8414 0.131 Uiso 1 1 calc R .
N7 N 0.8215(7) 0.8783(11) 0.8942(11) 0.153(5) Uani 1 1 d DU .
N8 N 0.8558(7) 0.7635(9) 0.9073(10) 0.148(4) Uani 1 1 d DU .
C43 C 0.7992(9) 0.8358(10) 0.9142(11) 0.151(5) Uani 1 1 d DU .
H43A H 0.7676 0.8395 0.8964 0.182 Uiso 1 1 calc R .
H43B H 0.8034 0.8415 0.9542 0.182 Uiso 1 1 calc R .
C44 C 0.8138(8) 0.7778(12) 0.9043(13) 0.153(5) Uani 1 1 d DU .
H44A H 0.8041 0.7514 0.9301 0.184 Uiso 1 1 calc R .
H44B H 0.7968 0.7667 0.8669 0.184 Uiso 1 1 calc R .
C45 C 0.8751(7) 0.7157(11) 0.9075(12) 0.140(5) Uani 1 1 d DU .
H45A H 0.8545 0.6850 0.9054 0.168 Uiso 1 1 calc R .
C46 C 0.9159(5) 0.6909(8) 0.9099(7) 0.140(5) Uani 1 1 d GDU .
C47 C 0.9208(6) 0.6333(8) 0.9026(7) 0.123(6) Uani 1 1 d GU .
H47A H 0.8958 0.6089 0.8914 0.147 Uiso 1 1 calc R .
C48 C 0.9609(7) 0.6101(7) 0.9113(8) 0.158(7) Uani 1 1 d GU .
H48A H 0.9643 0.5693 0.9062 0.190 Uiso 1 1 calc R .
C49 C 0.9962(6) 0.6445(9) 0.9271(8) 0.145(7) Uani 1 1 d GU .
H49A H 1.0246 0.6281 0.9332 0.174 Uiso 1 1 calc R .
C50 C 0.9914(6) 0.7021(9) 0.9344(7) 0.138(7) Uani 1 1 d GU .
C51 C 0.9513(6) 0.7253(6) 0.9258(7) 0.099(5) Uani 1 1 d GU .
C52 C 1.0651(12) 0.7204(17) 0.9525(16) 0.203(16) Uani 1 1 d U .
H52A H 1.0644 0.6856 0.9295 0.304 Uiso 1 1 calc R .
H52B H 1.0801 0.7110 0.9907 0.304 Uiso 1 1 calc R .
H52C H 1.0808 0.7519 0.9392 0.304 Uiso 1 1 calc R .
C53 C 1.0529(8) 0.9275(10) 1.2592(11) 0.117(7) Uani 1 1 d U .
H53A H 1.0548 0.9316 1.2986 0.176 Uiso 1 1 calc R .
H53B H 1.0673 0.9610 1.2468 0.176 Uiso 1 1 calc R .
H53C H 1.0674 0.8913 1.2528 0.176 Uiso 1 1 calc R .
C54 C 0.9774(5) 0.9262(6) 1.2533(6) 0.090(4) Uani 1 1 d GU .
C55 C 0.9824(5) 0.9189(7) 1.3087(6) 0.119(6) Uani 1 1 d GU .
H55A H 1.0108 0.9176 1.3328 0.142 Uiso 1 1 calc R .
C56 C 0.9464(6) 0.9135(7) 1.3292(6) 0.125(6) Uani 1 1 d GU .
H56A H 0.9499 0.9085 1.3676 0.150 Uiso 1 1 calc R .
C57 C 0.9054(5) 0.9155(7) 1.2943(8) 0.137(6) Uani 1 1 d GU .
H57A H 0.8805 0.9118 1.3086 0.164 Uiso 1 1 calc R .
C58 C 0.9004(5) 0.9228(8) 1.2390(7) 0.138(5) Uani 1 1 d GDU .
C59 C 0.9364(6) 0.9282(7) 1.2185(5) 0.108(5) Uani 1 1 d GU .
N9 N 0.8472(7) 0.9381(11) 1.1518(9) 0.164(5) Uani 1 1 d DU .
N10 N 0.8197(5) 1.0000 1.0631(12) 0.176(6) Uani 1 2 d SDU .
C60 C 0.8591(6) 0.9195(13) 1.1999(9) 0.154(5) Uani 1 1 d DU .
H60 H 0.8370 0.8999 1.2125 0.154 Uiso 1 1 calc R .
C61 C 0.8049(7) 0.9275(13) 1.1214(9) 0.171(5) Uani 1 1 d DU .
H61A H 0.7841 0.9474 1.1389 0.205 Uiso 1 1 calc R .
H61B H 0.7988 0.8850 1.1207 0.205 Uiso 1 1 calc R .
C62 C 0.7990(8) 0.9488(9) 1.0661(8) 0.175(6) Uani 1 1 d DU .
H62A H 0.8099 0.9190 1.0443 0.210 Uiso 1 1 calc R .
H62B H 0.7674 0.9541 1.0492 0.210 Uiso 1 1 calc R .
C63 C 1.0862(7) 1.0000 1.1483(9) 0.060(5) Uani 1 2 d SU .
Cl1 Cl 0.75563(13) 0.81739(19) 0.2276(2) 0.0767(12) Uani 1 1 d D .
O28 O 0.7773(5) 0.7873(7) 0.1915(6) 0.136(6) Uiso 1 1 d D .
O29 O 0.7246(6) 0.8564(9) 0.1943(9) 0.186(8) Uiso 1 1 d D .
O30 O 0.7369(8) 0.7742(10) 0.2563(10) 0.223(11) Uiso 1 1 d D .
O31 O 0.7833(5) 0.8556(7) 0.2668(6) 0.133(6) Uiso 1 1 d D .
O1W O 0.6681(6) 0.3838(8) 0.3794(8) 0.140(6) Uiso 1 1 d . .
O2W O 0.8373(11) 0.5000 0.8184(15) 0.204(14) Uiso 1 2 d S .
O3W O 0.8933(9) 0.4222(11) 0.1436(11) 0.096(8) Uiso 0.50 1 d P .
O4W O 0.8177(6) 0.5000 0.3623(8) 0.097(5) Uiso 1 2 d S .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O8 Dy1 O8 91.9(3) . 2_756
O8 Dy1 O2 161.9(3) . .
O8 Dy1 O2 70.8(3) 2_756 .
O8 Dy1 O2 70.8(3) . 2_756
O8 Dy1 O2 161.9(3) 2_756 2_756
O2 Dy1 O2 127.0(5) . 2_756
O8 Dy1 O12 79.6(3) . 6_565
O8 Dy1 O12 69.6(3) 2_756 6_565
O2 Dy1 O12 98.4(3) . 6_565
O2 Dy1 O12 101.2(4) 2_756 6_565
O8 Dy1 O12 69.6(3) . 5_766
O8 Dy1 O12 79.6(3) 2_756 5_766
O2 Dy1 O12 101.2(4) . 5_766
O2 Dy1 O12 98.4(3) 2_756 5_766
O12 Dy1 O12 135.2(4) 6_565 5_766
O8 Dy1 O1 130.8(4) . .
O8 Dy1 O1 116.1(3) 2_756 .
O2 Dy1 O1 64.5(4) . .
O2 Dy1 O1 74.3(3) 2_756 .
O12 Dy1 O1 74.4(4) 6_565 .
O12 Dy1 O1 150.2(4) 5_766 .
O8 Dy1 O1 116.1(3) . 2_756
O8 Dy1 O1 130.8(4) 2_756 2_756
O2 Dy1 O1 74.3(3) . 2_756
O2 Dy1 O1 64.5(4) 2_756 2_756
O12 Dy1 O1 150.2(4) 6_565 2_756
O12 Dy1 O1 74.4(4) 5_766 2_756
O1 Dy1 O1 76.4(6) . 2_756
O8 Dy1 Dy4 38.71(19) . .
O8 Dy1 Dy4 124.00(18) 2_756 .
O2 Dy1 Dy4 158.4(3) . .
O2 Dy1 Dy4 38.0(3) 2_756 .
O12 Dy1 Dy4 75.5(2) 6_565 .
O12 Dy1 Dy4 97.4(2) 5_766 .
O1 Dy1 Dy4 93.9(3) . .
O1 Dy1 Dy4 100.4(3) 2_756 .
O8 Dy1 Dy4 124.00(18) . 2_756
O8 Dy1 Dy4 38.71(19) 2_756 2_756
O2 Dy1 Dy4 38.0(3) . 2_756
O2 Dy1 Dy4 158.4(3) 2_756 2_756
O12 Dy1 Dy4 97.4(2) 6_565 2_756
O12 Dy1 Dy4 75.5(2) 5_766 2_756
O1 Dy1 Dy4 100.4(3) . 2_756
O1 Dy1 Dy4 93.9(3) 2_756 2_756
Dy4 Dy1 Dy4 161.71(3) . 2_756
O8 Dy1 Dy2 34.8(2) . 2_756
O8 Dy1 Dy2 95.12(17) 2_756 2_756
O2 Dy1 Dy2 138.5(3) . 2_756
O2 Dy1 Dy2 73.8(2) 2_756 2_756
O12 Dy1 Dy2 113.3(2) 6_565 2_756
O12 Dy1 Dy2 37.3(2) 5_766 2_756
O1 Dy1 Dy2 148.1(3) . 2_756
O1 Dy1 Dy2 88.7(2) 2_756 2_756
Dy4 Dy1 Dy2 60.726(15) . 2_756
Dy4 Dy1 Dy2 108.774(19) 2_756 2_756
O8 Dy1 Dy2 95.12(17) . .
O8 Dy1 Dy2 34.8(2) 2_756 .
O2 Dy1 Dy2 73.8(2) . .
O2 Dy1 Dy2 138.5(3) 2_756 .
O12 Dy1 Dy2 37.3(2) 6_565 .
O12 Dy1 Dy2 113.3(2) 5_766 .
O1 Dy1 Dy2 88.7(2) . .
O1 Dy1 Dy2 148.1(3) 2_756 .
Dy4 Dy1 Dy2 108.774(19) . .
Dy4 Dy1 Dy2 60.726(15) 2_756 .
Dy2 Dy1 Dy2 116.54(3) 2_756 .
O14 Dy2 O8 89.8(4) . 2_756
O14 Dy2 O5 103.6(4) . .
O8 Dy2 O5 154.4(3) 2_756 .
O14 Dy2 O4 87.3(4) . .
O8 Dy2 O4 70.7(3) 2_756 .
O5 Dy2 O4 130.7(3) . .
O14 Dy2 O7 70.5(3) . .
O8 Dy2 O7 91.8(3) 2_756 .
O5 Dy2 O7 72.9(3) . .
O4 Dy2 O7 152.0(4) . .
O14 Dy2 O12 142.3(3) . 6_565
O8 Dy2 O12 70.0(3) 2_756 6_565
O5 Dy2 O12 86.6(3) . 6_565
O4 Dy2 O12 113.5(3) . 6_565
O7 Dy2 O12 78.4(3) . 6_565
O14 Dy2 O3 140.7(3) . .
O8 Dy2 O3 104.8(3) 2_756 .
O5 Dy2 O3 78.6(3) . .
O4 Dy2 O3 64.6(4) . .
O7 Dy2 O3 142.9(4) . .
O12 Dy2 O3 76.7(3) 6_565 .
O14 Dy2 O6 74.6(3) . .
O8 Dy2 O6 142.4(3) 2_756 .
O5 Dy2 O6 63.0(3) . .
O4 Dy2 O6 74.6(3) . .
O7 Dy2 O6 113.6(3) . .
O12 Dy2 O6 139.5(3) 6_565 .
O3 Dy2 O6 71.8(3) . .
O14 Dy2 Dy2 33.8(3) . 6_565
O8 Dy2 Dy2 99.99(19) 2_756 6_565
O5 Dy2 Dy2 81.0(2) . 6_565
O4 Dy2 Dy2 121.1(3) . 6_565
O7 Dy2 Dy2 38.7(2) . 6_565
O12 Dy2 Dy2 116.8(2) 6_565 6_565
O3 Dy2 Dy2 154.8(2) . 6_565
O6 Dy2 Dy2 85.8(2) . 6_565
O14 Dy2 Dy3 93.3(3) . .
O8 Dy2 Dy3 121.96(17) 2_756 .
O5 Dy2 Dy3 37.0(2) . .
O4 Dy2 Dy3 167.33(19) . .
O7 Dy2 Dy3 37.3(3) . .
O12 Dy2 Dy3 73.1(2) 6_565 .
O3 Dy2 Dy3 108.3(3) . .
O6 Dy2 Dy3 93.3(2) . .
Dy2 Dy2 Dy3 60.490(11) 6_565 .
O14 Dy2 Dy4 84.5(3) . 2_756
O8 Dy2 Dy4 36.75(17) 2_756 2_756
O5 Dy2 Dy4 163.6(2) . 2_756
O4 Dy2 Dy4 34.26(19) . 2_756
O7 Dy2 Dy4 123.5(3) . 2_756
O12 Dy2 Dy4 95.6(2) 6_565 2_756
O3 Dy2 Dy4 86.1(2) . 2_756
O6 Dy2 Dy4 106.7(2) . 2_756
Dy2 Dy2 Dy4 111.967(16) 6_565 2_756
Dy3 Dy2 Dy4 158.39(2) . 2_756
O14 Dy2 Dy1 123.0(3) . .
O8 Dy2 Dy1 34.4(2) 2_756 .
O5 Dy2 Dy1 124.6(2) . .
O4 Dy2 Dy1 83.2(2) . .
O7 Dy2 Dy1 94.6(2) . .
O12 Dy2 Dy1 38.2(2) 6_565 .
O3 Dy2 Dy1 82.4(2) . .
O6 Dy2 Dy1 151.3(2) . .
Dy2 Dy2 Dy1 121.730(13) 6_565 .
Dy3 Dy2 Dy1 106.882(18) . .
Dy4 Dy2 Dy1 58.021(14) 2_756 .
O11 Dy3 O11 110.9(5) . 6_565
O11 Dy3 O5 147.2(3) . .
O11 Dy3 O5 78.6(3) 6_565 .
O11 Dy3 O5 78.6(3) . 6_565
O11 Dy3 O5 147.2(3) 6_565 6_565
O5 Dy3 O5 78.2(4) . 6_565
O11 Dy3 O7 78.0(3) . .
O11 Dy3 O7 78.0(3) 6_565 .
O5 Dy3 O7 73.3(3) . .
O5 Dy3 O7 73.3(3) 6_565 .
O11 Dy3 N4 77.1(4) . .
O11 Dy3 N4 77.1(4) 6_565 .
O5 Dy3 N4 135.3(3) . .
O5 Dy3 N4 135.3(3) 6_565 .
O7 Dy3 N4 135.4(6) . .
O11 Dy3 N5 78.4(4) . 6_565
O11 Dy3 N5 140.5(4) 6_565 6_565
O5 Dy3 N5 115.0(4) . 6_565
O5 Dy3 N5 71.2(4) 6_565 6_565
O7 Dy3 N5 140.4(3) . 6_565
N4 Dy3 N5 67.6(5) . 6_565
O11 Dy3 N5 140.5(4) . .
O11 Dy3 N5 78.4(4) 6_565 .
O5 Dy3 N5 71.2(4) . .
O5 Dy3 N5 115.0(4) 6_565 .
O7 Dy3 N5 140.4(3) . .
N4 Dy3 N5 67.6(5) . .
N5 Dy3 N5 72.4(6) 6_565 .
O11 Dy3 Dy2 115.5(2) . .
O11 Dy3 Dy2 67.6(3) 6_565 .
O5 Dy3 Dy2 37.2(2) . .
O5 Dy3 Dy2 79.9(2) 6_565 .
O7 Dy3 Dy2 37.54(14) . .
N4 Dy3 Dy2 144.7(3) . .
N5 Dy3 Dy2 144.8(3) 6_565 .
N5 Dy3 Dy2 103.6(3) . .
O11 Dy3 Dy2 67.6(3) . 6_565
O11 Dy3 Dy2 115.5(2) 6_565 6_565
O5 Dy3 Dy2 79.9(2) . 6_565
O5 Dy3 Dy2 37.2(2) 6_565 6_565
O7 Dy3 Dy2 37.54(14) . 6_565
N4 Dy3 Dy2 144.7(3) . 6_565
N5 Dy3 Dy2 103.6(3) 6_565 6_565
N5 Dy3 Dy2 144.8(3) . 6_565
Dy2 Dy3 Dy2 59.02(2) . 6_565
O9 Dy4 O13 88.8(4) . 6_565
O9 Dy4 O4 95.7(4) . 2_756
O13 Dy4 O4 148.4(4) 6_565 2_756
O9 Dy4 O2 145.9(3) . 2_756
O13 Dy4 O2 79.9(4) 6_565 2_756
O4 Dy4 O2 79.0(4) 2_756 2_756
O9 Dy4 O8 76.8(3) . .
O13 Dy4 O8 79.5(3) 6_565 .
O4 Dy4 O8 71.2(3) 2_756 .
O2 Dy4 O8 69.5(3) 2_756 .
O9 Dy4 N3 86.8(5) . 2_756
O13 Dy4 N3 143.7(5) 6_565 2_756
O4 Dy4 N3 67.9(5) 2_756 2_756
O2 Dy4 N3 120.7(5) 2_756 2_756
O8 Dy4 N3 133.9(4) . 2_756
O9 Dy4 N1 140.5(6) . 2_756
O13 Dy4 N1 89.5(4) 6_565 2_756
O4 Dy4 N1 105.9(5) 2_756 2_756
O2 Dy4 N1 72.1(5) 2_756 2_756
O8 Dy4 N1 141.3(5) . 2_756
N3 Dy4 N1 71.8(6) 2_756 2_756
O9 Dy4 N2 72.3(5) . 2_756
O13 Dy4 N2 76.0(5) 6_565 2_756
O4 Dy4 N2 135.1(4) 2_756 2_756
O2 Dy4 N2 133.8(4) 2_756 2_756
O8 Dy4 N2 140.6(4) . 2_756
N3 Dy4 N2 68.4(5) 2_756 2_756
N1 Dy4 N2 69.0(6) 2_756 2_756
O9 Dy4 Dy1 108.6(2) . .
O13 Dy4 Dy1 61.9(3) 6_565 .
O4 Dy4 Dy1 87.2(3) 2_756 .
O2 Dy4 Dy1 38.0(2) 2_756 .
O8 Dy4 Dy1 37.3(2) . .
N3 Dy4 Dy1 152.2(4) 2_756 .
N1 Dy4 Dy1 105.2(5) 2_756 .
N2 Dy4 Dy1 137.7(4) 2_756 .
O9 Dy4 Dy2 81.9(3) . 2_756
O13 Dy4 Dy2 115.2(2) 6_565 2_756
O4 Dy4 Dy2 35.6(2) 2_756 2_756
O2 Dy4 Dy2 74.2(3) 2_756 2_756
O8 Dy4 Dy2 35.90(17) . 2_756
N3 Dy4 Dy2 99.8(4) 2_756 2_756
N1 Dy4 Dy2 133.3(5) 2_756 2_756
N2 Dy4 Dy2 152.0(4) 2_756 2_756
Dy1 Dy4 Dy2 61.252(16) . 2_756
O24 Dy5 O21 86.3(4) . .
O24 Dy5 O27 68.9(3) . 2_757
O21 Dy5 O27 92.7(4) . 2_757
O24 Dy5 O16 101.2(4) . 2_757
O21 Dy5 O16 158.4(4) . 2_757
O27 Dy5 O16 71.7(3) 2_757 2_757
O24 Dy5 O20 93.1(4) . .
O21 Dy5 O20 69.4(4) . .
O27 Dy5 O20 155.8(4) 2_757 .
O16 Dy5 O20 129.5(4) 2_757 .
O24 Dy5 O22 139.7(4) . .
O21 Dy5 O22 68.9(4) . .
O27 Dy5 O22 80.7(4) 2_757 .
O16 Dy5 O22 93.3(4) 2_757 .
O20 Dy5 O22 106.2(4) . .
O24 Dy5 O19 142.3(4) . .
O21 Dy5 O19 108.7(4) . .
O27 Dy5 O19 141.0(4) 2_757 .
O16 Dy5 O19 77.7(4) 2_757 .
O20 Dy5 O19 62.7(5) . .
O22 Dy5 O19 77.4(5) . .
O24 Dy5 O15 74.3(4) . 2_757
O21 Dy5 O15 137.5(4) . 2_757
O27 Dy5 O15 113.8(3) 2_757 2_757
O16 Dy5 O15 64.0(3) 2_757 2_757
O20 Dy5 O15 74.2(4) . 2_757
O22 Dy5 O15 144.5(4) . 2_757
O19 Dy5 O15 71.5(4) . 2_757
O24 Dy5 Dy7A 78.6(3) . .
O21 Dy5 Dy7A 43.0(3) . .
O27 Dy5 Dy7A 126.7(2) 2_757 .
O16 Dy5 Dy7A 158.2(2) 2_757 .
O20 Dy5 Dy7A 30.0(3) . .
O22 Dy5 Dy7A 100.8(3) . .
O19 Dy5 Dy7A 89.2(4) . .
O15 Dy5 Dy7A 95.5(3) 2_757 .
O24 Dy5 Dy8A 89.5(3) . 2_757
O21 Dy5 Dy8A 124.8(3) . 2_757
O27 Dy5 Dy8A 36.3(2) 2_757 2_757
O16 Dy5 Dy8A 36.3(2) 2_757 2_757
O20 Dy5 Dy8A 165.7(3) . 2_757
O22 Dy5 Dy8A 80.3(3) . 2_757
O19 Dy5 Dy8A 107.6(4) . 2_757
O15 Dy5 Dy8A 93.0(2) 2_757 2_757
Dy7A Dy5 Dy8A 162.88(7) . 2_757
O24 Dy5 Dy6A 29.5(3) . .
O21 Dy5 Dy6A 95.7(3) . .
O27 Dy5 Dy6A 40.6(3) 2_757 .
O16 Dy5 Dy6A 82.3(3) 2_757 .
O20 Dy5 Dy6A 122.6(4) . .
O22 Dy5 Dy6A 119.6(3) . .
O19 Dy5 Dy6A 154.6(3) . .
O15 Dy5 Dy6A 85.8(3) 2_757 .
Dy7A Dy5 Dy6A 104.53(15) . .
Dy8A Dy5 Dy6A 61.28(13) 2_757 .
O24 Dy5 Dy5 119.7(3) . 6_575
O21 Dy5 Dy5 34.7(3) . 6_575
O27 Dy5 Dy5 96.0(2) 2_757 6_575
O16 Dy5 Dy5 129.9(3) 2_757 6_575
O20 Dy5 Dy5 78.6(3) . 6_575
O22 Dy5 Dy5 36.7(2) . 6_575
O19 Dy5 Dy5 85.3(3) . 6_575
O15 Dy5 Dy5 150.2(2) 2_757 6_575
Dy7A Dy5 Dy5 64.96(6) . 6_575
Dy8A Dy5 Dy5 112.16(4) 2_757 6_575
Dy6A Dy5 Dy5 119.80(16) . 6_575
O18 Dy6 O18 133.6(15) . 2_757
O18 Dy6 O24 91.5(5) . .
O18 Dy6 O24 104.8(5) 2_757 .
O18 Dy6 O24 104.8(5) . 2_757
O18 Dy6 O24 91.5(5) 2_757 2_757
O24 Dy6 O24 138.1(15) . 2_757
O18 Dy6 O27 152.4(11) . 2_757
O18 Dy6 O27 71.4(4) 2_757 2_757
O24 Dy6 O27 67.3(6) . 2_757
O24 Dy6 O27 82.6(8) 2_757 2_757
O18 Dy6 O27 71.4(4) . .
O18 Dy6 O27 152.4(11) 2_757 .
O24 Dy6 O27 82.6(8) . .
O24 Dy6 O27 67.3(6) 2_757 .
O27 Dy6 O27 88.0(11) 2_757 .
O18 Dy6 O17 73.1(8) . 2_757
O18 Dy6 O17 70.3(9) 2_757 2_757
O24 Dy6 O17 74.2(5) . 2_757
O24 Dy6 O17 147.4(12) 2_757 2_757
O27 Dy6 O17 114.7(4) 2_757 2_757
O27 Dy6 O17 136.6(5) . 2_757
O18 Dy6 O17 70.3(9) . .
O18 Dy6 O17 73.1(8) 2_757 .
O24 Dy6 O17 147.4(12) . .
O24 Dy6 O17 74.2(5) 2_757 .
O27 Dy6 O17 136.6(5) 2_757 .
O27 Dy6 O17 114.7(4) . .
O17 Dy6 O17 74.7(10) 2_757 .
O18 Dy6 Dy5 125.7(5) . .
O18 Dy6 Dy5 79.9(4) 2_757 .
O24 Dy6 Dy5 34.2(4) . .
O24 Dy6 Dy5 117.2(9) 2_757 .
O27 Dy6 Dy5 35.6(2) 2_757 .
O27 Dy6 Dy5 94.0(8) . .
O17 Dy6 Dy5 86.9(3) 2_757 .
O17 Dy6 Dy5 151.1(7) . .
O18 Dy6 Dy5 79.9(4) . 2_757
O18 Dy6 Dy5 125.7(5) 2_757 2_757
O24 Dy6 Dy5 117.2(9) . 2_757
O24 Dy6 Dy5 34.2(4) 2_757 2_757
O27 Dy6 Dy5 94.0(8) 2_757 2_757
O27 Dy6 Dy5 35.6(2) . 2_757
O17 Dy6 Dy5 151.1(7) 2_757 2_757
O17 Dy6 Dy5 86.9(3) . 2_757
Dy5 Dy6 Dy5 117.8(8) . 2_757
Dy6A Dy6A O18 131.4(15) 2_757 .
Dy6A Dy6A O27 106.8(11) 2_757 .
O18 Dy6A O27 79.2(5) . .
Dy6A Dy6A O27 57.7(10) 2_757 2_757
O18 Dy6A O27 167.8(7) . 2_757
O27 Dy6A O27 90.5(5) . 2_757
Dy6A Dy6A O18 37.2(12) 2_757 2_757
O18 Dy6A O18 127.2(8) . 2_757
O27 Dy6A O18 143.1(6) . 2_757
O27 Dy6A O18 65.0(4) 2_757 2_757
Dy6A Dy6A O17 101.3(10) 2_757 2_757
O18 Dy6A O17 76.1(6) . 2_757
O27 Dy6A O17 150.8(6) . 2_757
O27 Dy6A O17 111.8(6) 2_757 2_757
O18 Dy6A O17 66.0(6) 2_757 2_757
Dy6A Dy6A O17 65.1(9) 2_757 .
O18 Dy6A O17 68.5(7) . .
O27 Dy6A O17 113.6(5) . .
O27 Dy6A O17 122.3(5) 2_757 .
O18 Dy6A O17 65.3(5) 2_757 .
O17 Dy6A O17 71.2(7) 2_757 .
Dy6A Dy6A Dy8A 140.2(17) 2_757 .
O18 Dy6A Dy8A 37.5(4) . .
O27 Dy6A Dy8A 44.5(3) . .
O27 Dy6A Dy8A 130.6(4) 2_757 .
O18 Dy6A Dy8A 163.3(5) 2_757 .
O17 Dy6A Dy8A 107.0(5) 2_757 .
O17 Dy6A Dy8A 98.3(5) . .
Dy6A Dy6A Dy5 89.9(14) 2_757 .
O18 Dy6A Dy5 137.7(6) . .
O27 Dy6A Dy5 99.6(4) . .
O27 Dy6A Dy5 37.5(2) 2_757 .
O18 Dy6A Dy5 77.9(4) 2_757 .
O17 Dy6A Dy5 88.4(4) 2_757 .
O17 Dy6A Dy5 142.6(5) . .
Dy8A Dy6A Dy5 117.9(3) . .
Dy6A Dy6A Dy8A 33.1(15) 2_757 2_757
O18 Dy6A Dy8A 156.9(6) . 2_757
O27 Dy6A Dy8A 118.3(4) . 2_757
O27 Dy6A Dy8A 35.2(2) 2_757 2_757
O18 Dy6A Dy8A 30.2(3) 2_757 2_757
O17 Dy6A Dy8A 89.9(5) 2_757 2_757
O17 Dy6A Dy8A 89.8(4) . 2_757
Dy8A Dy6A Dy8A 162.8(3) . 2_757
Dy5 Dy6A Dy8A 58.35(14) . 2_757
Dy6A Dy6A Dy5 79.6(14) 2_757 2_757
O18 Dy6A Dy5 82.3(5) . 2_757
O27 Dy6A Dy5 33.8(3) . 2_757
O27 Dy6A Dy5 92.7(3) 2_757 2_757
O18 Dy6A Dy5 116.1(4) 2_757 2_757
O17 Dy6A Dy5 151.8(5) 2_757 2_757
O17 Dy6A Dy5 84.2(4) . 2_757
Dy8A Dy6A Dy5 62.26(18) . 2_757
Dy5 Dy6A Dy5 119.8(2) . 2_757
Dy8A Dy6A Dy5 103.85(19) 2_757 2_757
N10 Dy7 O21 147.9(10) . .
N10 Dy7 O25 93.0(5) . .
O21 Dy7 O25 77.0(4) . .
N10 Dy7 O25 93.0(5) . 6_575
O21 Dy7 O25 77.0(4) . 6_575
O25 Dy7 O25 139.8(8) . 6_575
N10 Dy7 O20 135.5(6) . 6_575
O21 Dy7 O20 66.2(4) . 6_575
O25 Dy7 O20 130.3(6) . 6_575
O25 Dy7 O20 62.3(5) 6_575 6_575
N10 Dy7 O20 135.5(6) . .
O21 Dy7 O20 66.2(4) . .
O25 Dy7 O20 62.3(5) . .
O25 Dy7 O20 130.3(6) 6_575 .
O20 Dy7 O20 72.5(7) 6_575 .
N10 Dy7 N9 65.9(8) . 6_575
O21 Dy7 N9 136.8(6) . 6_575
O25 Dy7 N9 142.3(8) . 6_575
O25 Dy7 N9 74.9(7) 6_575 6_575
O20 Dy7 N9 71.9(6) 6_575 6_575
O20 Dy7 N9 110.6(7) . 6_575
N10 Dy7 N9 65.9(8) . .
O21 Dy7 N9 136.8(6) . .
O25 Dy7 N9 74.9(7) . .
O25 Dy7 N9 142.3(8) 6_575 .
O20 Dy7 N9 110.6(7) 6_575 .
O20 Dy7 N9 71.9(6) . .
N9 Dy7 N9 68.1(12) 6_575 .
N10 Dy7 Dy5 147.8(4) . 6_575
O21 Dy7 Dy5 34.35(18) . 6_575
O25 Dy7 Dy5 110.4(5) . 6_575
O25 Dy7 Dy5 54.9(4) 6_575 6_575
O20 Dy7 Dy5 35.2(3) 6_575 6_575
O20 Dy7 Dy5 76.4(4) . 6_575
N9 Dy7 Dy5 102.6(6) 6_575 6_575
N9 Dy7 Dy5 140.3(6) . 6_575
N10 Dy7 Dy5 147.8(4) . .
O21 Dy7 Dy5 34.35(18) . .
O25 Dy7 Dy5 54.9(4) . .
O25 Dy7 Dy5 110.4(5) 6_575 .
O20 Dy7 Dy5 76.4(4) 6_575 .
O20 Dy7 Dy5 35.2(3) . .
N9 Dy7 Dy5 140.3(6) 6_575 .
N9 Dy7 Dy5 102.6(6) . .
Dy5 Dy7 Dy5 58.97(15) 6_575 .
Dy7A Dy7A O20 122.8(4) 6_575 .
Dy7A Dy7A O25A 92.7(5) 6_575 .
O20 Dy7A O25A 130.1(7) . .
Dy7A Dy7A N9 116.1(7) 6_575 .
O20 Dy7A N9 88.9(7) . .
O25A Dy7A N9 106.9(8) . .
Dy7A Dy7A O25A 66.1(5) 6_575 6_575
O20 Dy7A O25A 146.2(6) . 6_575
O25A Dy7A O25A 26.6(10) . 6_575
N9 Dy7A O25A 117.6(7) . 6_575
Dy7A Dy7A O21 79.87(10) 6_575 .
O20 Dy7A O21 75.5(4) . .
O25A Dy7A O21 78.2(6) . .
N9 Dy7A O21 162.4(7) . .
O25A Dy7A O21 74.6(5) 6_575 .
Dy7A Dy7A O20 40.4(3) 6_575 6_575
O20 Dy7A O20 82.4(7) . 6_575
O25A Dy7A O20 123.4(6) . 6_575
N9 Dy7A O20 120.3(7) . 6_575
O25A Dy7A O20 99.3(6) 6_575 6_575
O21 Dy7A O20 66.4(3) . 6_575
Dy7A Dy7A N10 80.56(12) 6_575 .
O20 Dy7A N10 151.7(6) . .
O25A Dy7A N10 55.6(8) . .
N9 Dy7A N10 64.8(8) . .
O25A Dy7A N10 53.8(8) 6_575 .
O21 Dy7A N10 128.4(7) . .
O20 Dy7A N10 119.0(4) 6_575 .
Dy7A Dy7A N9 47.9(6) 6_575 6_575
O20 Dy7A N9 123.0(6) . 6_575
O25A Dy7A N9 106.8(7) . 6_575
N9 Dy7A N9 68.3(12) . 6_575
O25A Dy7A N9 87.9(7) 6_575 6_575
O21 Dy7A N9 127.2(6) . 6_575
O20 Dy7A N9 68.2(6) 6_575 6_575
N10 Dy7A N9 58.6(6) . 6_575
Dy7A Dy7A Dy5 115.04(6) 6_575 .
O20 Dy7A Dy5 38.5(3) . .
O25A Dy7A Dy5 97.3(5) . .
N9 Dy7A Dy5 121.4(6) . .
O25A Dy7A Dy5 107.8(5) 6_575 .
O21 Dy7A Dy5 41.10(17) . .
O20 Dy7A Dy5 84.1(3) 6_575 .
N10 Dy7A Dy5 150.6(6) . .
N9 Dy7A Dy5 150.2(5) 6_575 .
Dy7A Dy7A Dy5 53.75(4) 6_575 6_575
O20 Dy7A Dy5 80.1(4) . 6_575
O25A Dy7A Dy5 99.1(5) . 6_575
N9 Dy7A Dy5 152.8(6) . 6_575
O25A Dy7A Dy5 83.1(5) 6_575 6_575
O21 Dy7A Dy5 32.75(18) . 6_575
O20 Dy7A Dy5 33.9(3) 6_575 6_575
N10 Dy7A Dy5 128.1(3) . 6_575
N9 Dy7A Dy5 97.1(5) 6_575 6_575
Dy5 Dy7A Dy5 61.28(6) . 6_575
O23 Dy8 N7 98.0(7) 2_757 .
O23 Dy8 N6 87.8(5) 2_757 .
N7 Dy8 N6 78.6(8) . .
O23 Dy8 O16 79.9(4) 2_757 .
N7 Dy8 O16 151.6(8) . .
N6 Dy8 O16 73.1(4) . .
O23 Dy8 O26 119.3(5) 2_757 .
N7 Dy8 O26 79.3(8) . .
N6 Dy8 O26 147.0(5) . .
O16 Dy8 O26 126.6(4) . .
O23 Dy8 O27 77.4(4) 2_757 .
N7 Dy8 O27 140.8(7) . .
N6 Dy8 O27 139.0(4) . .
O16 Dy8 O27 66.8(3) . .
O26 Dy8 O27 70.0(4) . .
O23 Dy8 O18 138.8(5) 2_757 .
N7 Dy8 O18 121.5(8) . .
N6 Dy8 O18 109.6(5) . .
O16 Dy8 O18 70.7(4) . .
O26 Dy8 O18 63.3(5) . .
O27 Dy8 O18 64.9(3) . .
O23 Dy8 N8 160.1(6) 2_757 .
N7 Dy8 N8 69.0(8) . .
N6 Dy8 N8 75.0(6) . .
O16 Dy8 N8 104.0(5) . .
O26 Dy8 N8 74.4(6) . .
O27 Dy8 N8 122.3(5) . .
O18 Dy8 N8 58.8(5) . .
O23 Dy8 Dy5 63.0(3) 2_757 2_757
N7 Dy8 Dy5 160.6(7) . 2_757
N6 Dy8 Dy5 103.4(4) . 2_757
O16 Dy8 Dy5 35.4(2) . 2_757
O26 Dy8 Dy5 105.6(3) . 2_757
O27 Dy8 Dy5 36.02(19) . 2_757
O18 Dy8 Dy5 76.5(3) . 2_757
N8 Dy8 Dy5 130.3(4) . 2_757
O18 Dy8A O16 85.7(5) . .
O18 Dy8A O27 80.1(4) . .
O16 Dy8A O27 74.4(3) . .
O18 Dy8A O26A 117.4(7) . .
O16 Dy8A O26A 142.1(6) . .
O27 Dy8A O26A 80.2(5) . .
O18 Dy8A O23 151.9(5) . 2_757
O16 Dy8A O23 75.0(4) . 2_757
O27 Dy8A O23 75.2(3) . 2_757
O26A Dy8A O23 71.6(7) . 2_757
O18 Dy8A N7 129.7(7) . .
O16 Dy8A N7 133.5(7) . .
O27 Dy8A N7 132.6(6) . .
O26A Dy8A N7 54.3(8) . .
O23 Dy8A N7 77.9(6) 2_757 .
O18 Dy8A N8 68.4(6) . .
O16 Dy8A N8 114.7(6) . .
O27 Dy8A N8 145.8(6) . .
O26A Dy8A N8 102.1(7) . .
O23 Dy8A N8 138.3(6) 2_757 .
N7 Dy8A N8 66.6(7) . .
O18 Dy8A N6 119.5(5) . .
O16 Dy8A N6 70.1(4) . .
O27 Dy8A N6 137.1(4) . .
O26A Dy8A N6 115.1(6) . .
O23 Dy8A N6 73.0(4) 2_757 .
N7 Dy8A N6 66.3(7) . .
N8 Dy8A N6 73.2(6) . .
O18 Dy8A Dy6A 40.0(4) . .
O16 Dy8A Dy6A 89.0(3) . .
O27 Dy8A Dy6A 43.0(3) . .
O26A Dy8A Dy6A 91.3(6) . .
O23 Dy8A Dy6A 118.1(3) 2_757 .
N7 Dy8A Dy6A 137.3(6) . .
N8 Dy8A Dy6A 102.9(5) . .
N6 Dy8A Dy6A 153.5(4) . .
O18 Dy8A Dy5 87.5(4) . 2_757
O16 Dy8A Dy5 37.8(2) . 2_757
O27 Dy8A Dy5 37.6(2) . 2_757
O26A Dy8A Dy5 109.5(5) . 2_757
O23 Dy8A Dy5 64.7(3) 2_757 2_757
N7 Dy8A Dy5 142.6(5) . 2_757
N8 Dy8A Dy5 146.7(5) . 2_757
N6 Dy8A Dy5 101.7(3) . 2_757
Dy6A Dy8A Dy5 66.77(17) . 2_757
O18 Dy8A Dy6A 41.3(4) . 2_757
O16 Dy8A Dy6A 82.4(3) . 2_757
O27 Dy8A Dy6A 39.5(3) . 2_757
O26A Dy8A Dy6A 95.6(6) . 2_757
O23 Dy8A Dy6A 114.5(3) 2_757 2_757
N7 Dy8A Dy6A 143.7(6) . 2_757
N8 Dy8A Dy6A 107.0(5) . 2_757
N6 Dy8A Dy6A 148.8(4) . 2_757
Dy6A Dy8A Dy6A 6.8(3) . 2_757
Dy5 Dy8A Dy6A 60.37(15) 2_757 2_757
C2 O1 C1 118.7(12) . .
C2 O1 Dy1 117.2(10) . .
C1 O1 Dy1 123.4(11) . .
C7 O2 Dy4 135.1(9) . 2_756
C7 O2 Dy1 120.9(9) . .
Dy4 O2 Dy1 103.9(3) 2_756 .
C18 O3 C20 120.3(11) . .
C18 O3 Dy2 115.4(8) . .
C20 O3 Dy2 122.8(9) . .
C19 O4 Dy4 116.9(7) . 2_756
C19 O4 Dy2 122.0(8) . .
Dy4 O4 Dy2 110.1(3) 2_756 .
C29 O5 Dy3 129.1(7) . .
C29 O5 Dy2 122.9(7) . .
Dy3 O5 Dy2 105.8(3) . .
C28 O6 C30 114.4(10) . .
C28 O6 Dy2 115.2(7) . .
C30 O6 Dy2 127.6(9) . .
Dy3 O7 Dy2 105.2(3) . .
Dy3 O7 Dy2 105.2(3) . 6_565
Dy2 O7 Dy2 102.6(4) . 6_565
Dy1 O8 Dy2 110.8(3) . 2_756
Dy1 O8 Dy4 104.0(3) . .
Dy2 O8 Dy4 107.4(3) 2_756 .
C31 O9 Dy4 140.3(12) . .
C32 O11 Dy3 145.7(9) . .
C32 O12 Dy2 131.2(8) . 6_565
C32 O12 Dy1 119.5(7) . 5_766
Dy2 O12 Dy1 104.5(4) 6_565 5_766
C32 O13 Dy4 134.5(8) . 6_565
Dy2 O14 Dy2 112.4(5) 6_565 .
C35 O15 C33 119.1(11) . .
C35 O15 Dy5 114.7(7) . 2_757
C33 O15 Dy5 124.9(9) . 2_757
C34 O16 Dy8A 127.0(8) . .
C34 O16 Dy5 123.6(7) . 2_757
Dy8A O16 Dy5 105.9(4) . 2_757
C34 O16 Dy8 128.5(7) . .
Dy8A O16 Dy8 14.07(9) . .
Dy5 O16 Dy8 107.7(3) 2_757 .
C50 O17 C52 120(2) . .
C50 O17 Dy6A 119.0(16) . 2_757
C52 O17 Dy6A 119(2) . 2_757
C50 O17 Dy6 111.2(15) . .
C52 O17 Dy6 126(2) . .
Dy6A O17 Dy6 7.8(3) 2_757 .
C50 O17 Dy6A 105.6(15) . .
C52 O17 Dy6A 132(2) . .
Dy6A O17 Dy6A 13.6(3) 2_757 .
Dy6 O17 Dy6A 6.0(2) . .
C51 O18 Dy8A 137.2(11) . .
C51 O18 Dy6A 115.2(12) . .
Dy8A O18 Dy6A 102.5(6) . .
C51 O18 Dy6 107.8(13) . .
Dy8A O18 Dy6 108.3(9) . .
Dy6A O18 Dy6 7.9(7) . .
C51 O18 Dy8 135.7(10) . .
Dy8A O18 Dy8 2.62(16) . .
Dy6A O18 Dy8 104.9(6) . .
Dy6 O18 Dy8 110.7(8) . .
C51 O18 Dy6A 105.9(11) . 2_757
Dy8A O18 Dy6A 108.4(5) . 2_757
Dy6A O18 Dy6A 11.4(4) . 2_757
Dy6 O18 Dy6A 4.3(2) . 2_757
Dy8 O18 Dy6A 110.9(5) . 2_757
C53 O19 C54 130(2) . .
C53 O19 Dy5 116.7(17) . .
C54 O19 Dy5 112.9(11) . .
C59 O20 Dy7A 117.9(10) . .
C59 O20 Dy5 130.0(11) . .
Dy7A O20 Dy5 111.4(5) . .
C59 O20 Dy7 120.6(10) . .
Dy7A O20 Dy7 4.9(3) . .
Dy5 O20 Dy7 108.1(5) . .
C59 O20 Dy7A 114.3(10) . 6_575
Dy7A O20 Dy7A 16.88(19) . 6_575
Dy5 O20 Dy7A 110.5(5) . 6_575
Dy7 O20 Dy7A 13.71(18) . 6_575
Dy5 O21 Dy5 110.7(5) 6_575 .
Dy5 O21 Dy7A 95.9(3) 6_575 6_575
Dy5 O21 Dy7A 113.1(4) . 6_575
Dy5 O21 Dy7A 113.1(4) 6_575 .
Dy5 O21 Dy7A 95.9(3) . .
Dy7A O21 Dy7A 20.26(19) 6_575 .
Dy5 O21 Dy7 109.5(3) 6_575 .
Dy5 O21 Dy7 109.5(3) . .
Dy7A O21 Dy7 13.86(18) 6_575 .
Dy7A O21 Dy7 13.86(18) . .
C63 O22 Dy5 124.4(4) . .
C63 O22 Dy5 124.4(4) . 6_575
Dy5 O22 Dy5 106.6(5) . 6_575
C63 O23 Dy8 150.4(12) . 2_757
C63 O23 Dy8A 140.3(11) . 2_757
Dy8 O23 Dy8A 10.63(13) 2_757 2_757
O26 C64 O25 125.7(12) . .
O26 C64 O24 120.9(11) . .
O25 C64 O24 113.4(11) . .
C64 O24 Dy5 121.5(8) . .
C64 O24 Dy6 122.2(8) . .
Dy5 O24 Dy6 111.3(5) . .
C64 O25 Dy7 133.9(12) . .
C64 O26 Dy8 151.7(11) . .
O25A C64A O26A 119(3) . .
O25A C64A O24A 124(3) . .
O26A C64A O24A 117(3) . .
O25A C64A C64A 79(2) . 6_575
O26A C64A C64A 135.5(19) . 6_575
O24A C64A C64A 59.1(14) . 6_575
O25A C64A O25A 37.0(18) . 6_575
O26A C64A O25A 140(2) . 6_575
O24A C64A O25A 94(2) . 6_575
C64A C64A O25A 41.9(13) 6_575 6_575
C64A O24A C64A 62(3) 6_575 .
O25A O25A C64A 101(2) 6_575 .
O25A O25A C64A 41.9(13) 6_575 6_575
C64A O25A C64A 59(3) . 6_575
O25A O25A Dy7A 87.3(5) 6_575 .
C64A O25A Dy7A 136(2) . .
C64A O25A Dy7A 116.6(17) 6_575 .
O25A O25A Dy7A 66.1(5) 6_575 6_575
C64A O25A Dy7A 137(2) . 6_575
C64A O25A Dy7A 98.0(16) 6_575 6_575
Dy7A O25A Dy7A 21.3(3) . 6_575
C64A O26A Dy8A 135.5(18) . .
Dy6A O27 Dy8A 92.4(4) . .
Dy6A O27 Dy5 114.4(4) . 2_757
Dy8A O27 Dy5 106.1(4) . 2_757
Dy6A O27 Dy6 7.6(3) . .
Dy8A O27 Dy6 97.7(5) . .
Dy5 O27 Dy6 107.6(4) 2_757 .
Dy6A O27 Dy6A 15.5(4) . 2_757
Dy8A O27 Dy6A 105.3(4) . 2_757
Dy5 O27 Dy6A 101.9(4) 2_757 2_757
Dy6 O27 Dy6A 8.3(5) . 2_757
Dy6A O27 Dy8 104.3(4) . .
Dy8A O27 Dy8 12.65(9) . .
Dy5 O27 Dy8 104.2(3) 2_757 .
Dy6 O27 Dy8 109.9(5) . .
Dy6A O27 Dy8 117.7(4) 2_757 .
C8 N1 C9 120(2) . .
C8 N1 Dy4 123.8(15) . 2_756
C9 N1 Dy4 114.6(15) . 2_756
C10 N2 C11 114.1(18) . .
C10 N2 Dy4 107.2(15) . 2_756
C11 N2 Dy4 108.2(13) . 2_756
C13 N3 C12 117(2) . .
C13 N3 Dy4 123.0(16) . 2_756
C12 N3 Dy4 117.7(15) . 2_756
C21 N4 C21 123(3) 6_565 .
C21 N4 Dy3 107.6(15) 6_565 .
C21 N4 Dy3 107.6(15) . .
C23 N5 C22 118.4(17) . .
C23 N5 Dy3 126.1(13) . .
C22 N5 Dy3 114.9(13) . .
C40 N6 C41 116.8(16) . .
C40 N6 Dy8 129.7(13) . .
C41 N6 Dy8 113.1(12) . .
C40 N6 Dy8A 119.0(13) . .
C41 N6 Dy8A 122.7(12) . .
Dy8 N6 Dy8A 11.69(11) . .
O1 C2 C3 125.5(10) . .
O1 C2 C7 114.4(10) . .
C3 C2 C7 120.0 . .
C2 C3 C4 120.0 . .
C5 C4 C3 120.0 . .
C4 C5 C6 120.0 . .
C7 C6 C5 120.0 . .
C7 C6 C8 125.0(12) . .
C5 C6 C8 114.3(12) . .
O2 C7 C6 120.9(10) . .
O2 C7 C2 118.9(10) . .
C6 C7 C2 120.0 . .
N1 C8 C6 130.6(18) . .
C10 C9 N1 111(2) . .
C9 C10 N2 119(2) . .
N2 C11 C12 114(2) . .
N3 C12 C11 118(2) . .
N3 C13 C14 123.7(18) . .
C13 C14 C15 116.5(11) . .
C13 C14 C19 123.5(11) . .
C15 C14 C19 120.0 . .
C14 C15 C16 119.9 . .
C17 C16 C15 120.0 . .
C16 C17 C18 120.0 . .
C19 C18 C17 120.0 . .
C19 C18 O3 115.8(9) . .
C17 C18 O3 124.2(9) . .
O4 C19 C18 117.5(9) . .
O4 C19 C14 122.5(9) . .
C18 C19 C14 120.0 . .
C22 C21 N4 113(2) . .
C21 C22 N5 112.1(19) . .
N5 C23 C24 129.4(16) . .
C29 C24 C25 120.0 . .
C29 C24 C23 122.9(9) . .
C25 C24 C23 117.1(9) . .
C26 C25 C24 120.0 . .
C27 C26 C25 120.0 . .
C26 C27 C28 120.0 . .
O6 C28 C29 114.2(7) . .
O6 C28 C27 125.8(7) . .
C29 C28 C27 120.0 . .
O5 C29 C24 122.1(7) . .
O5 C29 C28 117.9(7) . .
C24 C29 C28 120.0 . .
O9 C31 O9 118(2) 6_565 .
O9 C31 O10 120.7(11) 6_565 .
O9 C31 O10 120.7(11) . .
O11 C32 O13 124.5(14) . .
O11 C32 O12 119.0(11) . .
O13 C32 O12 116.4(13) . .
C35 C34 C39 120.0 . .
C35 C34 O16 117.0(8) . .
C39 C34 O16 123.1(8) . .
C34 C35 C36 120.0 . .
C34 C35 O15 115.5(8) . .
C36 C35 O15 124.4(8) . .
C37 C36 C35 120.0 . .
C38 C37 C36 120.0 . .
C37 C38 C39 120.0 . .
C38 C39 C34 120.0 . .
C38 C39 C40 117.9(10) . .
C34 C39 C40 121.5(10) . .
N6 C40 C39 130.2(17) . .
N6 C41 C42 100.6(16) . .
N7 C42 C41 115(2) . .
C43 N7 C42 119(2) . .
C43 N7 Dy8 126(2) . .
C42 N7 Dy8 99.8(16) . .
C43 N7 Dy8A 115.6(19) . .
C42 N7 Dy8A 109.4(16) . .
Dy8 N7 Dy8A 10.52(19) . .
C45 N8 C44 133(2) . .
C45 N8 Dy8A 115.9(19) . .
C44 N8 Dy8A 110.7(17) . .
C45 N8 Dy8 126(2) . .
C44 N8 Dy8 99.6(17) . .
Dy8A N8 Dy8 12.20(11) . .
N7 C43 C44 112(3) . .
N8 C44 C43 124(3) . .
N8 C45 C46 143(3) . .
C51 C46 C47 120.0 . .
C51 C46 C45 117.9(18) . .
C47 C46 C45 121.7(18) . .
C46 C47 C48 120.0 . .
C49 C48 C47 120.0 . .
C48 C49 C50 120.0 . .
O17 C50 C49 124.2(18) . .
O17 C50 C51 115.8(18) . .
C49 C50 C51 120.0 . .
C46 C51 C50 120.0 . .
C46 C51 O18 112.6(14) . .
C50 C51 O18 126.9(14) . .
C59 C54 C55 120.0 . .
C59 C54 O19 122.9(13) . .
C55 C54 O19 116.9(13) . .
C54 C55 C56 120.0 . .
C57 C56 C55 120.0 . .
C56 C57 C58 120.0 . .
C59 C58 C57 120.0 . .
C59 C58 C60 116.9(17) . .
C57 C58 C60 122.9(17) . .
C54 C59 C58 120.0 . .
C54 C59 O20 107.2(13) . .
C58 C59 O20 132.7(13) . .
C60 N9 C61 119.1(16) . .
C60 N9 Dy7A 116.9(16) . .
C61 N9 Dy7A 123.9(12) . .
C60 N9 Dy7 127.1(16) . .
C61 N9 Dy7 113.7(12) . .
Dy7A N9 Dy7 12.4(3) . .
C60 N9 Dy7A 118.6(16) . 6_575
C61 N9 Dy7A 120.9(12) . 6_575
Dy7A N9 Dy7A 16.0(2) . 6_575
Dy7 N9 Dy7A 11.8(2) . 6_575
C62 N10 C62 120(3) 6_575 .
C62 N10 Dy7 115.4(13) 6_575 .
C62 N10 Dy7 115.4(13) . .
C62 N10 Dy7A 122.3(13) 6_575 .
C62 N10 Dy7A 104.5(13) . .
Dy7 N10 Dy7A 11.4(2) . .
C62 N10 Dy7A 104.5(13) 6_575 6_575
C62 N10 Dy7A 122.3(13) . 6_575
Dy7 N10 Dy7A 11.4(2) . 6_575
Dy7A N10 Dy7A 18.9(2) . 6_575
N9 C60 C58 130(2) . .
N9 C61 C62 110.1(14) . .
N10 C62 C61 113.5(15) . .
O22 C63 O23 122.9(10) . 6_575
O22 C63 O23 122.9(10) . .
O23 C63 O23 114(2) 6_575 .
O29 Cl1 O31 103.4(13) . .
O29 Cl1 O30 114.2(15) . .
O31 Cl1 O30 109.3(14) . .
O29 Cl1 O28 107.2(13) . .
O31 Cl1 O28 114.6(10) . .
O30 Cl1 O28 108.2(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O8 2.304(8) .
Dy1 O8 2.304(8) 2_756
Dy1 O2 2.344(10) .
Dy1 O2 2.344(10) 2_756
Dy1 O12 2.438(9) 6_565
Dy1 O12 2.438(9) 5_766
Dy1 O1 2.554(10) .
Dy1 O1 2.554(10) 2_756
Dy1 Dy4 3.6925(8) .
Dy1 Dy4 3.6925(8) 2_756
Dy1 Dy2 3.8166(7) 2_756
Dy1 Dy2 3.8166(7) .
Dy2 O14 2.216(7) .
Dy2 O8 2.333(8) 2_756
Dy2 O5 2.347(9) .
Dy2 O4 2.355(9) .
Dy2 O7 2.360(7) .
Dy2 O12 2.389(9) 6_565
Dy2 O3 2.522(9) .
Dy2 O6 2.598(8) .
Dy2 Dy2 3.6823(11) 6_565
Dy2 Dy3 3.7377(10) .
Dy2 Dy4 3.7972(9) 2_756
Dy3 O11 2.292(11) .
Dy3 O11 2.292(11) 6_565
Dy3 O5 2.339(9) .
Dy3 O5 2.339(9) 6_565
Dy3 O7 2.345(12) .
Dy3 N4 2.54(3) .
Dy3 N5 2.546(13) 6_565
Dy3 N5 2.546(13) .
Dy3 Dy2 3.7377(10) 6_565
Dy4 O9 2.244(11) .
Dy4 O13 2.251(8) 6_565
Dy4 O4 2.277(9) 2_756
Dy4 O2 2.343(12) 2_756
Dy4 O8 2.380(7) .
Dy4 N3 2.488(16) 2_756
Dy4 N1 2.547(18) 2_756
Dy4 N2 2.588(17) 2_756
Dy4 Dy2 3.7972(10) 2_756
Dy5 O24 2.293(11) .
Dy5 O21 2.307(7) .
Dy5 O27 2.323(8) 2_757
Dy5 O16 2.329(10) 2_757
Dy5 O20 2.337(12) .
Dy5 O22 2.368(8) .
Dy5 O19 2.562(15) .
Dy5 O15 2.580(10) 2_757
Dy5 Dy7A 3.491(3) .
Dy5 Dy8A 3.657(3) 2_757
Dy5 Dy6A 3.734(9) .
Dy5 Dy5 3.7962(12) 6_575
Dy6 O18 2.311(18) .
Dy6 O18 2.311(18) 2_757
Dy6 O24 2.317(15) .
Dy6 O24 2.317(15) 2_757
Dy6 O27 2.39(2) 2_757
Dy6 O27 2.39(2) .
Dy6 O17 2.67(3) 2_757
Dy6 O17 2.67(3) .
Dy6 Dy5 3.805(16) 2_757
Dy6A Dy6A 0.693(15) 2_757
Dy6A O18 2.113(16) .
Dy6A O27 2.192(14) .
Dy6A O27 2.482(12) 2_757
Dy6A O18 2.623(17) 2_757
Dy6A O17 2.67(2) 2_757
Dy6A O17 2.88(2) .
Dy6A Dy8A 3.209(9) .
Dy6A Dy8A 3.768(8) 2_757
Dy6A Dy5 3.797(10) 2_757
Dy7 N10 2.228(10) .
Dy7 O21 2.415(16) .
Dy7 O25 2.418(15) .
Dy7 O25 2.418(15) 6_575
Dy7 O20 2.428(16) 6_575
Dy7 O20 2.428(16) .
Dy7 N9 2.53(2) 6_575
Dy7 N9 2.53(2) .
Dy7 Dy5 3.856(9) 6_575
Dy7A Dy7A 0.841(7) 6_575
Dy7A O20 1.876(14) .
Dy7A O25A 2.12(2) .
Dy7A N9 2.26(2) .
Dy7A O25A 2.32(2) 6_575
Dy7A O21 2.392(12) .
Dy7A O20 2.437(14) 6_575
Dy7A N10 2.565(16) .
Dy7A N9 2.74(2) 6_575
Dy7A Dy5 3.922(4) 6_575
Dy8 O23 2.028(13) 2_757
Dy8 N7 2.14(2) .
Dy8 N6 2.354(15) .
Dy8 O16 2.415(10) .
Dy8 O26 2.449(13) .
Dy8 O27 2.530(9) .
Dy8 O18 2.585(16) .
Dy8 N8 2.77(2) .
Dy8 Dy5 3.830(3) 2_757
Dy8A O18 2.000(16) .
Dy8A O16 2.252(10) .
Dy8A O27 2.253(9) .
Dy8A O26A 2.41(2) .
Dy8A O23 2.455(13) 2_757
Dy8A N7 2.55(2) .
Dy8A N8 2.60(2) .
Dy8A N6 2.659(15) .
Dy8A Dy5 3.657(3) 2_757
Dy8A Dy6A 3.768(8) 2_757
O1 C2 1.362(17) .
O1 C1 1.44(2) .
O2 C7 1.379(14) .
O2 Dy4 2.343(12) 2_756
O3 C18 1.399(14) .
O3 C20 1.45(2) .
O4 C19 1.360(12) .
O4 Dy4 2.277(9) 2_756
O5 C29 1.351(11) .
O6 C28 1.382(14) .
O6 C30 1.401(19) .
O7 Dy2 2.360(7) 6_565
O8 Dy2 2.333(8) 2_756
O9 C31 1.263(15) .
O10 C31 1.32(3) .
O11 C32 1.230(17) .
O12 C32 1.315(16) .
O12 Dy2 2.389(9) 6_565
O12 Dy1 2.438(9) 5_766
O13 C32 1.259(15) .
O13 Dy4 2.251(8) 6_565
O14 Dy2 2.216(7) 6_565
O15 C35 1.410(14) .
O15 C33 1.419(18) .
O15 Dy5 2.580(9) 2_757
O16 C34 1.379(13) .
O16 Dy5 2.329(10) 2_757
O17 C50 1.28(2) .
O17 C52 1.37(3) .
O17 Dy6A 2.67(2) 2_757
O18 C51 1.61(2) .
O18 Dy6A 2.623(17) 2_757
O19 C53 1.18(2) .
O19 C54 1.417(19) .
O20 C59 1.373(17) .
O20 Dy7A 2.437(14) 6_575
O21 Dy5 2.307(7) 6_575
O21 Dy7A 2.392(12) 6_575
O22 C63 1.26(2) .
O22 Dy5 2.368(8) 6_575
O23 C63 1.313(16) .
O23 Dy8 2.028(13) 2_757
O23 Dy8A 2.455(13) 2_757
C64 O26 1.261(9) .
C64 O25 1.277(9) .
C64 O24 1.291(9) .
C64A O25A 1.15(4) .
C64A O26A 1.37(4) .
C64A O24A 1.45(3) .
C64A C64A 1.49(7) 6_575
C64A O25A 1.69(4) 6_575
O24A C64A 1.45(3) 6_575
O25A O25A 1.04(4) 6_575
O25A C64A 1.69(4) 6_575
O25A Dy7A 2.32(2) 6_575
O27 Dy5 2.323(8) 2_757
O27 Dy6A 2.482(12) 2_757
N1 C8 1.30(3) .
N1 C9 1.48(3) .
N1 Dy4 2.547(18) 2_756
N2 C10 1.50(3) .
N2 C11 1.51(3) .
N2 Dy4 2.588(17) 2_756
N3 C13 1.29(2) .
N3 C12 1.38(3) .
N3 Dy4 2.488(16) 2_756
N4 C21 1.48(3) 6_565
N4 C21 1.48(3) .
N5 C23 1.24(2) .
N5 C22 1.46(2) .
N6 C40 1.26(2) .
N6 C41 1.44(2) .
C2 C3 1.385(8) .
C2 C7 1.385(8) .
C3 C4 1.385(8) .
C4 C5 1.384(8) .
C5 C6 1.385(8) .
C6 C7 1.384(8) .
C6 C8 1.41(2) .
C9 C10 1.39(3) .
C11 C12 1.55(3) .
C13 C14 1.35(2) .
C14 C15 1.376(7) .
C14 C19 1.376(7) .
C15 C16 1.376(7) .
C16 C17 1.375(7) .
C17 C18 1.376(7) .
C18 C19 1.375(7) .
C21 C22 1.43(3) .
C23 C24 1.45(2) .
C24 C29 1.392(6) .
C24 C25 1.393(6) .
C25 C26 1.392(6) .
C26 C27 1.392(6) .
C27 C28 1.393(6) .
C28 C29 1.392(6) .
C31 O9 1.263(15) 6_565
C34 C35 1.376(7) .
C34 C39 1.377(7) .
C35 C36 1.377(7) .
C36 C37 1.377(7) .
C37 C38 1.376(7) .
C38 C39 1.376(7) .
C39 C40 1.46(2) .
C41 C42 1.79(3) .
C42 N7 1.38(3) .
N7 C43 1.369(10) .
N8 C45 1.250(10) .
N8 C44 1.356(10) .
C43 C44 1.447(10) .
C45 C46 1.401(10) .
C46 C51 1.343(9) .
C46 C47 1.344(9) .
C47 C48 1.344(9) .
C48 C49 1.343(9) .
C49 C50 1.343(9) .
C50 C51 1.344(9) .
C54 C59 1.370(8) .
C54 C55 1.370(8) .
C55 C56 1.371(8) .
C56 C57 1.370(8) .
C57 C58 1.371(8) .
C58 C59 1.370(8) .
C58 C60 1.427(10) .
N9 C60 1.245(10) .
N9 C61 1.387(10) .
N9 Dy7A 2.74(2) 6_575
N10 C62 1.353(10) 6_575
N10 C62 1.353(10) .
N10 Dy7A 2.565(16) 6_575
C61 C62 1.441(10) .
C63 O23 1.313(16) 6_575
Cl1 O29 1.431(10) .
Cl1 O31 1.436(9) .
Cl1 O30 1.438(10) .
Cl1 O28 1.445(9) .
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 0.026 -0.107 0.447 3412 1295 ' '
2 0.413 0.000 0.246 9 3 ' '
3 0.587 0.000 0.754 9 2 ' '
4 0.084 0.168 0.347 10 2 ' '
5 0.916 0.168 0.653 10 2 ' '
6 0.416 0.332 0.653 10 2 ' '
7 0.584 0.332 0.347 10 2 ' '
8 0.087 0.500 0.754 9 2 ' '
9 0.913 0.500 0.246 9 3 ' '
10 0.416 0.668 0.653 10 2 ' '
11 0.584 0.668 0.347 10 2 ' '
12 0.084 0.832 0.347 10 2 ' '
13 0.916 0.832 0.653 10 2 ' '
