#------------------------------------------------------------------------------
#$Date: 2019-11-23 06:30:05 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232331 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/74/4347463.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_4347463
loop_
_publ_author_name
'Xu, Hang'
'Fang, Ming'
'Cao, Chun-Shuai'
'Qiao, Wan-Zhen'
'Zhao, Bin'
_publ_section_title
;
 Unique (3,4,10)-Connected Lanthanide-Organic Framework as a Recyclable
 Chemical Sensor for Detecting Al(3.).
;
_journal_issue                   10
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4790
_journal_page_last               4794
_journal_paper_doi               10.1021/acs.inorgchem.6b00190
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         '0.25(C656 H420 Dy20 O176), 1.5(O2)'
_chemical_formula_sum            'C164 H105 Dy5 O47'
_chemical_formula_weight         3639.98
_space_group_crystal_system      orthorhombic
_space_group_IT_number           57
_space_group_name_Hall           '-P 2c 2b'
_space_group_name_H-M_alt        'P b c m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2016-03-09
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5155)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.435(2)
_cell_length_b                   27.255(3)
_cell_length_c                   30.407(3)
_cell_measurement_reflns_used    63005
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      1.5
_cell_volume                     20250(3)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  multi-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_av_unetI/netI     0.0271
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            158696
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.58
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.886
_exptl_crystal_density_diffrn    1.194
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7180
_platon_squeeze_details
;
;
_refine_diff_density_max         2.530
_refine_diff_density_min         -3.624
_refine_diff_density_rms         0.200
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1006
_refine_ls_number_reflns         18144
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.130
_refine_ls_R_factor_all          0.0807
_refine_ls_R_factor_gt           0.0769
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1257P)²+74.6448P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2183
_refine_ls_wR_factor_ref         0.2224
_reflns_number_gt                17051
_reflns_number_total             18144
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic6b00190_si_002.cif
_cod_data_source_block           Dy
_cod_database_code               4347463
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 C40-C41
 1.5 with sigma of 0.02
 C80-C81
 1.5 with sigma of 0.02
 O15A-C71 \\sim C71-O15B
 with sigma of 0.02
 O5-C1 \\sim C1-O15
 with sigma of 0.02
 O5-Dy1 \\sim Dy1-O15
 with sigma of 0.02
3. Rigid bond restraints
 C80, C81
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 O18, Dy3
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C79, C80
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
4. Uiso/Uaniso restraints and constraints
Uanis(O18) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.005
Uanis(O0AA) = Uanis(Dy3)
Uanis(O3AA) = Uanis(Dy3)
Uanis(O15A) = Uanis(O15B)
Uanis(O5) = Uanis(O15)
5. Others
 Sof(O15B)=1-FVAR(1)
 Sof(O15A)=FVAR(1)
 Sof(O5)=1-FVAR(2)
 Sof(O15)=FVAR(2)
 Fixed Sof: H1AA(0.5) H1AB(0.5) H68A(0.5) H19A(0.5) H19B(0.5) H53A(0.5)
 H53B(0.5) H53C(0.5) H2AB(0.5) H0AB(0.5) H3AA(0.5) H3AB(0.5) O2(0.5) O3(0.25)
 O11(0.5) O7AA(0.25)
6.a Riding coordinates:
 O1AA(H1AA,H1AB), O68(H68A,H68B), O191(H19A,H19B), O2AA(H2AA,H2AB), O0AA(H0AA,
 H0AB), O3AA(H3AA,H3AB)
6.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C63(H63), C9(H9), C18(H18), C68(H68), C6(H6), C69(H69), C35(H35),
 C72(H72), C13(H13), C79(H79), C52(H52), C44(H44), C32(H32), C43(H43), C3(H3),
 C58(H58), C4(H4), C31(H31), C49(H49), C23(H23), C30(H30), C74(H74), C66(H66),
 C5(H5), C22(H22), C78(H78), C24(H24), C29(H29), C57(H57), C67(H67), C76(H76),
 C16(H16), C46(H46), C51(H51), C39(H39), C17(H17), C38(H38), C25(H25), C59(H59),
  C42(H42), C77(H77), C60(H60), C50(H50), C20(H20)
6.c Idealised Me refined as rotating group:
 C536(H53A,H53B,H53C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, z+1/2'
3 'x, -y+1/2, -z'
4 '-x, y+1/2, -z+1/2'
5 '-x, -y, -z'
6 'x, y, -z-1/2'
7 '-x, y-1/2, z'
8 'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_site_symmetry_order
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Dy1 Dy 0.744573(14) 0.760629(12) 0.362672(11) 0.04382(13) Uani 1 d . . 1 D . .
Dy4 Dy 0.62513(2) 0.286509(18) 0.7500 0.04623(15) Uani 1 d . . 2 S T P
Dy2 Dy 0.27572(2) 0.350475(18) 0.2500 0.05066(16) Uani 1 d . . 2 S T P
O1AA O 0.2886(5) 0.4366(4) 0.2500 0.116(4) Uani 1 d . . 2 S T P
H1AA H 0.2914 0.4544 0.2728 0.174 Uiso 0.50 d . . 1 R . .
H1AB H 0.2914 0.4544 0.2272 0.174 Uiso 0.50 d . . 1 R . .
O6AA O 0.6983(3) 0.6825(2) 0.35062(18) 0.0601(14) Uani 1 d A . 1 . . .
O8 O 0.8110(2) 0.8181(2) 0.34884(19) 0.0615(14) Uani 1 d . . 1 . . .
O4 O 0.5677(3) 0.3311(3) 0.7004(2) 0.0735(18) Uani 1 d . . 1 . . .
O16 O 0.7357(3) -0.1849(2) 0.41828(19) 0.0629(15) Uani 1 d . . 1 . . .
O13 O 0.6331(3) 0.2353(3) 0.6911(3) 0.095(3) Uani 1 d . . 1 . . .
O4AA O 0.6553(3) 0.3480(2) 0.6971(2) 0.0669(16) Uani 1 d . . 1 . . .
O43 O 0.7424(2) 0.76897(18) 0.28569(17) 0.0465(11) Uani 1 d . . 1 . . .
O12 O 0.8215(3) 0.7062(2) 0.3432(2) 0.0666(15) Uani 1 d . . 1 . . .
O61 O 0.8081(3) 0.7233(3) 0.4122(2) 0.094(3) Uani 1 d . . 1 . . .
O68 O 0.5412(3) 0.2418(3) 0.7500 0.0564(18) Uani 1 d . . 2 S T P
H68A H 0.5213 0.2514 0.7712 0.085 Uiso 0.50 d . . 1 R . .
H68B H 0.5479 0.2114 0.7500 0.085 Uiso 1 d . . 2 RS T P
O9 O 0.1629(4) 0.6272(4) 0.6949(3) 0.118(3) Uani 1 d . . 1 . . .
C12 C 0.6291(3) 0.4175(4) 0.5735(3) 0.066(2) Uani 1 d . . 1 . . .
H12 H 0.6580 0.4279 0.5560 0.080 Uiso 1 calc . . 1 R . .
O7 O 0.2030(3) 0.3715(2) 0.29481(17) 0.0635(15) Uani 1 d . . 1 . . .
O5 O 0.6781(10) 0.7209(5) 0.4112(6) 0.055(4) Uani 0.49(3) d A 2 1 D . .
C63 C 0.7253(3) 0.0597(3) 0.5227(3) 0.057(2) Uani 1 d . . 1 . . .
H63 H 0.7092 0.0402 0.5442 0.069 Uiso 1 calc . . 1 R . .
C48 C -0.0378(4) 0.6048(3) 0.4243(3) 0.061(2) Uani 1 d . . 1 . . .
O6 O 0.6607(3) 0.7974(3) 0.3496(2) 0.081(2) Uani 1 d . . 1 . . .
O14 O 0.5616(4) 0.1864(4) 0.6806(4) 0.136(4) Uani 1 d . . 1 . . .
O15B O 0.7394(12) -0.2004(8) 0.4888(7) 0.066(5) Uani 0.56(4) d B 2 1 D . .
C9 C 0.5913(3) 0.4859(3) 0.4980(2) 0.0453(15) Uani 1 d . . 1 . . .
H9 H 0.6178 0.5013 0.5151 0.054 Uiso 1 calc . . 1 R . .
C18 C 0.5230(3) 0.4230(3) 0.4891(2) 0.0437(15) Uani 1 d . . 1 . . .
H18 H 0.5038 0.3963 0.5003 0.052 Uiso 1 calc . . 1 R . .
C73 C 0.7771(3) 0.1178(3) 0.4596(3) 0.0570(19) Uani 1 d . . 1 . . .
O191 O 0.3624(4) 0.3128(5) 0.2500 0.099(3) Uani 1 d . . 2 S T P
H19A H 0.3756 0.3133 0.2758 0.148 Uiso 0.50 d . . 1 R . .
H19B H 0.3837 0.3280 0.2326 0.148 Uiso 0.50 d . . 1 R . .
C62 C 0.7250(3) 0.1116(3) 0.5273(3) 0.063(2) Uani 1 d . . 1 . . .
C11 C 0.5755(3) 0.4238(3) 0.5590(2) 0.0475(16) Uani 1 d . . 1 . . .
O1 O 0.3141(3) 0.3665(3) 0.3192(3) 0.103(3) Uani 1 d . . 1 . . .
C7 C 0.6074(3) 0.5481(3) 0.4392(2) 0.0448(15) Uani 1 d . . 1 . . .
C61 C 0.6961(4) 0.1340(4) 0.5653(4) 0.076(3) Uani 1 d . . 1 . . .
C8 C 0.5796(3) 0.5035(3) 0.4563(2) 0.0428(15) Uani 1 d . . 1 . . .
C21 C 0.4672(3) 0.4156(3) 0.4199(2) 0.0483(16) Uani 1 d . . 1 . . .
C68 C 0.7332(3) -0.0352(3) 0.4388(3) 0.0540(18) Uani 1 d . . 1 . . .
H68 H 0.7246 -0.0140 0.4158 0.065 Uiso 1 calc . . 1 R . .
C47 C 0.0769(3) 0.5105(3) 0.4345(3) 0.0514(17) Uani 1 d . . 1 . . .
C6 C 0.6223(4) 0.5523(3) 0.3953(3) 0.061(2) Uani 1 d . . 1 . . .
H6 H 0.6165 0.5259 0.3765 0.074 Uiso 1 calc . . 1 R . .
C69 C 0.7321(3) -0.0849(3) 0.4320(2) 0.0498(17) Uani 1 d . . 1 . . .
H69 H 0.7231 -0.0970 0.4043 0.060 Uiso 1 calc . . 1 R . .
C36 C 0.0687(4) 0.5545(3) 0.5039(3) 0.061(2) Uani 1 d . . 1 . . .
C35 C 0.0933(3) 0.5191(3) 0.4789(3) 0.0552(18) Uani 1 d . . 1 . . .
H35 H 0.1213 0.5003 0.4911 0.066 Uiso 1 calc . . 1 R . .
C14 C 0.5966(4) 0.3787(3) 0.6399(2) 0.0561(19) Uani 1 d . . 1 . . .
C72 C 0.7760(3) 0.0670(3) 0.4554(3) 0.0536(18) Uani 1 d . . 1 . . .
H72 H 0.7933 0.0523 0.4315 0.064 Uiso 1 calc . . 1 R . .
C10 C 0.5628(3) 0.4447(3) 0.5148(2) 0.0448(15) Uani 1 d . . 1 . . .
C13 C 0.6394(4) 0.3961(4) 0.6134(3) 0.067(2) Uani 1 d . . 1 . . .
H13 H 0.6753 0.3931 0.6232 0.081 Uiso 1 calc . . 1 R . .
C37 C 0.0861(4) 0.5653(3) 0.5500(3) 0.070(2) Uani 1 d . . 1 . . .
C79 C 0.8124(6) 0.2155(5) 0.3742(5) 0.112(4) Uani 1 d . . 1 . U .
H79 H 0.7976 0.2447 0.3636 0.134 Uiso 1 calc . . 1 R . .
C52 C -0.0393(4) 0.6209(4) 0.3818(3) 0.074(2) Uani 1 d . . 1 . . .
H52 H -0.0116 0.6118 0.3625 0.088 Uiso 1 calc . . 1 R . .
O18 O 0.8687(5) 0.2586(4) 0.3054(4) 0.129(3) Uani 1 d . . 1 . U .
C19 C 0.5104(3) 0.4397(3) 0.4468(2) 0.0434(15) Uani 1 d . . 1 . . .
C44 C 0.0258(4) 0.5818(3) 0.4851(3) 0.068(2) Uani 1 d . . 1 . . .
H44 H 0.0085 0.6056 0.5020 0.082 Uiso 1 calc . . 1 R . .
C32 C 0.1169(4) 0.4799(3) 0.3644(3) 0.063(2) Uani 1 d . . 1 . . .
H32 H 0.1077 0.5098 0.3515 0.076 Uiso 1 calc . . 1 R . .
C43 C 0.0399(5) 0.5767(5) 0.5810(4) 0.092(3) Uani 1 d . . 1 . . .
H43 H 0.0037 0.5730 0.5722 0.111 Uiso 1 calc . . 1 R . .
C33 C 0.1046(3) 0.4716(3) 0.4079(2) 0.0516(17) Uani 1 d . . 1 . . .
C64 C 0.7496(3) 0.0377(3) 0.4861(3) 0.0528(18) Uani 1 d . . 1 . . .
C3 C 0.6401(3) 0.6308(3) 0.4506(2) 0.0499(16) Uani 1 d A . 1 . . .
H3 H 0.6463 0.6571 0.4694 0.060 Uiso 1 calc . . 1 R . .
C58 C 0.6456(4) 0.1164(4) 0.5786(4) 0.082(3) Uani 1 d . . 1 . . .
H58 H 0.6308 0.0890 0.5647 0.099 Uiso 1 calc . . 1 R . .
C4 C 0.6166(3) 0.5887(3) 0.4668(2) 0.0481(16) Uani 1 d . . 1 . . .
H4 H 0.6066 0.5871 0.4962 0.058 Uiso 1 calc . . 1 R . .
C28 C 0.1550(3) 0.3992(3) 0.3580(2) 0.0490(17) Uani 1 d . . 1 . . .
C31 C 0.1434(4) 0.4436(3) 0.3393(3) 0.065(2) Uani 1 d . . 1 . . .
H31 H 0.1528 0.4498 0.3102 0.078 Uiso 1 calc . . 1 R . .
C49 C -0.0789(5) 0.6189(5) 0.4515(4) 0.101(4) Uani 1 d . . 1 . . .
H49 H -0.0804 0.6057 0.4797 0.121 Uiso 1 calc . . 1 R . .
C23 C 0.3956(4) 0.4184(4) 0.3656(3) 0.067(2) Uani 1 d . . 1 . . .
H23 H 0.3747 0.4362 0.3457 0.080 Uiso 1 calc . . 1 R . .
C30 C 0.1173(3) 0.4258(3) 0.4264(3) 0.0512(17) Uani 1 d . . 1 . . .
H30 H 0.1091 0.4196 0.4557 0.061 Uiso 1 calc . . 1 R . .
C74 C 0.7517(3) 0.1384(3) 0.4962(3) 0.065(2) Uani 1 d . . 1 . . .
H74 H 0.7529 0.1723 0.4995 0.078 Uiso 1 calc . . 1 R . .
C66 C 0.7587(3) -0.0486(3) 0.5144(3) 0.0565(19) Uani 1 d . . 1 . . .
H66 H 0.7677 -0.0367 0.5421 0.068 Uiso 1 calc . . 1 R . .
C5 C 0.6457(4) 0.5946(3) 0.3788(3) 0.062(2) Uani 1 d A . 1 . . .
H5 H 0.6553 0.5965 0.3493 0.075 Uiso 1 calc . . 1 R . .
C22 C 0.4354(3) 0.4420(3) 0.3902(3) 0.0550(18) Uani 1 d . . 1 . . .
H22 H 0.4409 0.4756 0.3869 0.066 Uiso 1 calc . . 1 R . .
C78 C 0.7831(5) 0.1882(4) 0.4080(5) 0.098(4) Uani 1 d . . 1 . . .
H78 H 0.7495 0.1995 0.4180 0.118 Uiso 1 calc . . 1 R . .
C24 C 0.4565(4) 0.3662(3) 0.4249(3) 0.064(2) Uani 1 d . . 1 . . .
H24 H 0.4771 0.3478 0.4446 0.077 Uiso 1 calc . . 1 R . .
C70 C 0.7442(3) -0.1173(3) 0.4654(3) 0.0509(18) Uani 1 d B . 1 . . .
C29 C 0.1414(3) 0.3908(3) 0.4014(3) 0.0530(18) Uani 1 d . . 1 . . .
H29 H 0.1489 0.3603 0.4139 0.064 Uiso 1 calc . . 1 R . .
C75 C 0.8041(4) 0.1473(3) 0.4246(3) 0.068(2) Uani 1 d . . 1 . . .
C57 C 0.6163(5) 0.1391(4) 0.6126(4) 0.090(4) Uani 1 d . . 1 . . .
H57 H 0.5819 0.1273 0.6206 0.108 Uiso 1 calc . . 1 R . .
C67 C 0.7567(4) -0.0991(3) 0.5069(3) 0.058(2) Uani 1 d . . 1 . . .
H67 H 0.7637 -0.1207 0.5299 0.070 Uiso 1 calc . . 1 R . .
C262 C 0.1845(3) 0.3596(3) 0.3317(2) 0.0546(19) Uani 1 d . . 1 . . .
C15 C 0.6075(4) 0.3515(3) 0.6813(3) 0.060(2) Uani 1 d . . 1 . . .
C55 C 0.6085(5) 0.2028(5) 0.6711(4) 0.095(4) Uani 1 d . . 1 . . .
C40 C 0.1096(8) 0.5981(6) 0.6348(5) 0.125(6) Uani 1 d . . 1 D . .
C45 C 0.0084(3) 0.5745(3) 0.4420(3) 0.061(2) Uani 1 d . . 1 . . .
C2 C 0.6549(3) 0.6347(3) 0.4066(2) 0.0500(17) Uani 1 d . . 1 . . .
C307 C 0.7463(4) 0.7443(4) 0.2500 0.045(2) Uani 1 d . . 2 S T P
C65 C 0.7473(3) -0.0162(3) 0.4803(3) 0.0494(17) Uani 1 d . . 1 . . .
C76 C 0.8542(5) 0.1313(4) 0.4078(4) 0.092(4) Uani 1 d . . 1 . . .
H76 H 0.8700 0.1029 0.4190 0.111 Uiso 1 calc . . 1 R . .
C16 C 0.5440(4) 0.3846(3) 0.6257(3) 0.061(2) Uani 1 d . . 1 . . .
H16 H 0.5152 0.3735 0.6431 0.073 Uiso 1 calc . . 1 R . .
C1 C 0.6817(3) 0.6797(3) 0.3898(2) 0.0531(18) Uani 1 d A . 1 D . .
C26 C 0.3869(3) 0.3692(3) 0.3704(3) 0.0576(19) Uani 1 d . . 1 . . .
C46 C 0.0352(3) 0.5384(3) 0.4170(3) 0.0567(19) Uani 1 d . . 1 . . .
H46 H 0.0246 0.5333 0.3880 0.068 Uiso 1 calc . . 1 R . .
C51 C -0.0823(4) 0.6513(4) 0.3667(3) 0.078(3) Uani 1 d . . 1 . . .
H51 H -0.0842 0.6605 0.3373 0.094 Uiso 1 calc . . 1 R . .
C54 C 0.8341(4) 0.7003(3) 0.3827(3) 0.062(2) Uani 1 d . . 1 . . .
O10 O 0.0705(6) 0.6409(6) 0.7009(4) 0.172(6) Uani 1 d . . 1 . . .
C56 C 0.6381(5) 0.1784(5) 0.6340(4) 0.096(4) Uani 1 d . . 1 . . .
C39 C 0.1456(6) 0.5937(7) 0.6048(4) 0.124(6) Uani 1 d . . 1 . . .
H39 H 0.1813 0.6038 0.6104 0.149 Uiso 1 calc . . 1 R . .
C17 C 0.5328(3) 0.4073(3) 0.5851(3) 0.0570(19) Uani 1 d . . 1 . . .
H17 H 0.4968 0.4113 0.5759 0.068 Uiso 1 calc . . 1 R . .
C53 C -0.1218(4) 0.6672(3) 0.3965(3) 0.062(2) Uani 1 d . . 1 . . .
C80 C 0.8612(7) 0.1992(6) 0.3577(5) 0.127(5) Uani 1 d . . 1 D U .
C38 C 0.1319(6) 0.5732(6) 0.5619(4) 0.114(5) Uani 1 d . . 1 . . .
H38 H 0.1604 0.5659 0.5427 0.137 Uiso 1 calc . . 1 R . .
C25 C 0.4155(4) 0.3438(4) 0.4011(3) 0.074(3) Uani 1 d . . 1 . . .
H25 H 0.4074 0.3110 0.4060 0.089 Uiso 1 calc . . 1 R . .
C41 C 0.1160(6) 0.6262(7) 0.6795(5) 0.135(6) Uani 1 d . . 1 D . .
C59 C 0.6887(5) 0.1950(5) 0.6214(5) 0.114(5) Uani 1 d . . 1 . . .
H59 H 0.7042 0.2210 0.6368 0.137 Uiso 1 calc . . 1 R . .
C42 C 0.0522(7) 0.5926(5) 0.6228(4) 0.107(4) Uani 1 d . . 1 . . .
H42 H 0.0246 0.5998 0.6429 0.128 Uiso 1 calc . . 1 R . .
C71 C 0.7437(4) -0.1712(3) 0.4576(3) 0.061(2) Uani 1 d . . 1 D . .
C77 C 0.8808(6) 0.1568(6) 0.3748(6) 0.123(6) Uani 1 d . . 1 . . .
H77 H 0.9134 0.1443 0.3638 0.148 Uiso 1 calc . . 1 R . .
C60 C 0.7176(4) 0.1749(4) 0.5867(4) 0.096(4) Uani 1 d . . 1 . . .
H60 H 0.7508 0.1884 0.5778 0.115 Uiso 1 calc . . 1 R . .
C50 C -0.1185(5) 0.6520(5) 0.4389(4) 0.104(4) Uani 1 d . . 1 . . .
H50 H -0.1431 0.6640 0.4596 0.124 Uiso 1 calc . . 1 R . .
C27 C 0.3435(4) 0.3422(4) 0.3447(3) 0.071(3) Uani 1 d . . 1 . . .
C536 C 0.7532(5) 0.6939(4) 0.2500 0.057(3) Uani 1 d A . 2 S T P
H53A H 0.7558 0.6823 0.2202 0.085 Uiso 0.50 calc C -1 1 GR . .
H53B H 0.7225 0.6787 0.2642 0.085 Uiso 0.50 calc C -1 1 GR . .
H53C H 0.7862 0.6857 0.2655 0.085 Uiso 0.50 calc C -1 1 GR . .
O17 O 0.9392(5) 0.2087(7) 0.3118(6) 0.242(11) Uani 1 d . . 1 . . .
C81 C 0.8930(6) 0.2254(7) 0.3211(7) 0.140(7) Uani 1 d . . 1 D U .
O2AA O 0.7164(5) 0.2650(6) 0.7500 0.121(5) Uani 1 d . . 2 S T P
H2AA H 0.7362 0.2907 0.7500 0.182 Uiso 1 d . . 2 RS T P
H2AB H 0.7233 0.2481 0.7272 0.182 Uiso 0.50 d . . 1 R . .
C20 C 0.5398(3) 0.4798(3) 0.4305(2) 0.0452(15) Uani 1 d . . 1 . . .
H20 H 0.5330 0.4909 0.4021 0.054 Uiso 1 calc . . 1 R . .
Dy3 Dy 0.87278(3) 0.31286(3) 0.2500 0.0726(2) Uani 1 d . . 2 S TU P
O0AA O 0.7813(4) 0.2946(4) 0.2500 0.0726(2) Uani 1 d . . 2 S T P
H0AA H 0.7631 0.3212 0.2500 0.109 Uiso 1 d . . 2 RS T P
H0AB H 0.7734 0.2780 0.2728 0.109 Uiso 0.50 d . . 1 R . .
O3AA O 0.9602(4) 0.2748(4) 0.2500 0.0726(2) Uani 1 d . . 2 S T P
H3AA H 0.9805 0.2896 0.2684 0.109 Uiso 0.50 d . . 1 R . .
H3AB H 0.9741 0.2770 0.2245 0.109 Uiso 0.50 d . . 1 R . .
O2 O 0.3592(5) 0.2619(4) 0.4895(4) 0.064(3) Uani 0.50 d . 1 1 . . .
O3 O 0.1431(12) 0.5210(8) 0.2500 0.101(7) Uani 0.50 d . . 2 S T P
O11 O 0.1432(6) 0.2727(6) 0.4869(4) 0.085(4) Uani 0.50 d . 1 1 . . .
O7AA O 0.7011(14) 0.2500 0.5000 0.147(12) Uani 0.50 d . . 2 S T P
O15A O 0.7619(12) -0.1985(12) 0.4873(9) 0.066(5) Uani 0.44(4) d B 1 1 D . .
O15 O 0.6965(10) 0.7126(6) 0.4185(4) 0.055(4) Uani 0.51(3) d A 1 1 D . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O6AA Dy1 O12 78.0(2) . .
O6AA Dy1 O5 52.9(3) . .
O6AA Dy1 C1 26.6(2) . .
O6AA Dy1 C54 83.2(2) . .
O6AA Dy1 O15 54.1(3) . .
O8 Dy1 O6AA 153.7(2) . .
O8 Dy1 O43 76.58(19) . .
O8 Dy1 O12 80.1(2) . .
O8 Dy1 O61 87.0(3) . .
O8 Dy1 O5 151.9(4) . .
O8 Dy1 O6 107.4(3) . .
O8 Dy1 C1 167.4(2) . .
O8 Dy1 C54 83.6(3) . .
O8 Dy1 O15 146.4(4) . .
O16 Dy1 O6AA 129.9(2) 1_565 .
O16 Dy1 O8 75.9(2) 1_565 .
O16 Dy1 O43 132.8(2) 1_565 .
O16 Dy1 O12 130.4(2) 1_565 .
O16 Dy1 O61 82.5(2) 1_565 .
O16 Dy1 O5 77.1(3) 1_565 .
O16 Dy1 O6 76.1(2) 1_565 .
O16 Dy1 C1 104.1(2) 1_565 .
O16 Dy1 C54 107.3(2) 1_565 .
O16 Dy1 O15 77.7(3) 1_565 .
O43 Dy1 O6AA 85.66(18) . .
O43 Dy1 O12 80.61(19) . .
O43 Dy1 O61 133.1(2) . .
O43 Dy1 O5 128.9(6) . .
O43 Dy1 C1 110.8(2) . .
O43 Dy1 C54 106.9(2) . .
O43 Dy1 O15 137.0(4) . .
O12 Dy1 C1 90.8(2) . .
O12 Dy1 C54 26.4(2) . .
O61 Dy1 O6AA 91.4(3) . .
O61 Dy1 O12 53.1(2) . .
O61 Dy1 O5 82.1(7) . .
O61 Dy1 C1 80.5(3) . .
O61 Dy1 C54 26.7(2) . .
O61 Dy1 O15 69.3(7) . .
O5 Dy1 O12 112.6(5) . .
O5 Dy1 C1 27.6(3) . .
O5 Dy1 C54 97.3(6) . .
O6 Dy1 O6AA 86.7(3) . .
O6 Dy1 O43 76.6(2) . .
O6 Dy1 O12 153.3(2) . .
O6 Dy1 O61 150.1(2) . .
O6 Dy1 O5 73.0(7) . .
O6 Dy1 C1 84.6(3) . .
O6 Dy1 C54 169.0(3) . .
O6 Dy1 O15 85.7(7) . .
C54 Dy1 C1 84.4(3) . .
O15 Dy1 O12 102.1(6) . .
O15 Dy1 O5 12.9(6) . .
O15 Dy1 C1 27.6(3) . .
O15 Dy1 C54 84.9(7) . .
O4 Dy4 O4 78.2(3) . 6_557
O4 Dy4 O4AA 54.0(2) . .
O4 Dy4 O4AA 104.2(2) 6_557 .
O4 Dy4 O4AA 54.0(2) 6_557 6_557
O4 Dy4 O4AA 104.2(2) . 6_557
O4 Dy4 C15 93.4(3) 6_557 .
O4 Dy4 C15 27.0(2) 6_557 6_557
O4 Dy4 C15 93.4(3) . 6_557
O4 Dy4 C15 27.0(2) . .
O13 Dy4 O4 149.0(3) 6_557 .
O13 Dy4 O4 82.3(3) . .
O13 Dy4 O4 149.0(3) . 6_557
O13 Dy4 O4 82.3(3) 6_557 6_557
O13 Dy4 O13 103.6(5) . 6_557
O13 Dy4 O4AA 156.0(2) . 6_557
O13 Dy4 O4AA 82.9(3) . .
O13 Dy4 O4AA 82.9(3) 6_557 6_557
O13 Dy4 O4AA 156.0(2) 6_557 .
O13 Dy4 O68 76.2(2) . .
O13 Dy4 O68 76.2(2) 6_557 .
O13 Dy4 C15 175.4(3) 6_557 .
O13 Dy4 C15 79.2(3) 6_557 6_557
O13 Dy4 C15 79.2(3) . .
O13 Dy4 C15 175.4(3) . 6_557
O13 Dy4 O2AA 76.2(3) . .
O13 Dy4 O2AA 76.2(3) 6_557 .
O4AA Dy4 O4AA 82.6(3) 6_557 .
O4AA Dy4 C15 96.1(2) 6_557 .
O4AA Dy4 C15 96.1(2) . 6_557
O4AA Dy4 C15 27.2(2) . .
O4AA Dy4 C15 27.2(2) 6_557 6_557
O68 Dy4 O4 75.8(2) . .
O68 Dy4 O4 75.8(2) . 6_557
O68 Dy4 O4AA 127.68(17) . .
O68 Dy4 O4AA 127.68(17) . 6_557
O68 Dy4 C15 101.1(2) . 6_557
O68 Dy4 C15 101.1(2) . .
C15 Dy4 C15 97.8(4) 6_557 .
O2AA Dy4 O4 134.1(3) . .
O2AA Dy4 O4 134.1(3) . 6_557
O2AA Dy4 O4AA 83.2(4) . .
O2AA Dy4 O4AA 83.2(4) . 6_557
O2AA Dy4 O68 134.5(5) . .
O2AA Dy4 C15 108.2(3) . .
O2AA Dy4 C15 108.2(3) . 6_557
O1AA Dy2 O43 154.17(12) . 4_645
O1AA Dy2 O43 154.17(12) . 7_655
O1AA Dy2 C307 177.1(4) . 7_655
O43 Dy2 O43 51.2(2) 4_645 7_655
O43 Dy2 C307 25.61(11) 7_655 7_655
O43 Dy2 C307 25.61(11) 4_645 7_655
O7 Dy2 O1AA 81.8(3) . .
O7 Dy2 O1AA 81.8(3) 6_556 .
O7 Dy2 O43 80.14(19) . 7_655
O7 Dy2 O43 80.14(19) 6_556 4_645
O7 Dy2 O43 109.8(2) . 4_645
O7 Dy2 O43 109.8(2) 6_556 7_655
O7 Dy2 O7 72.3(3) 6_556 .
O7 Dy2 O191 143.10(15) . .
O7 Dy2 O191 143.10(15) 6_556 .
O7 Dy2 O1 142.3(2) 6_556 .
O7 Dy2 O1 142.3(2) . 6_556
O7 Dy2 O1 74.5(3) 6_556 6_556
O7 Dy2 O1 74.5(3) . .
O7 Dy2 C307 95.9(2) 6_556 7_655
O7 Dy2 C307 95.9(2) . 7_655
O191 Dy2 O1AA 108.2(5) . .
O191 Dy2 O43 76.8(3) . 7_655
O191 Dy2 O43 76.8(3) . 4_645
O191 Dy2 C307 74.6(4) . 7_655
O1 Dy2 O1AA 76.2(3) . .
O1 Dy2 O1AA 76.2(3) 6_556 .
O1 Dy2 O43 128.5(2) 6_556 7_655
O1 Dy2 O43 81.2(3) . 7_655
O1 Dy2 O43 81.2(3) 6_556 4_645
O1 Dy2 O43 128.5(2) . 4_645
O1 Dy2 O191 73.8(2) . .
O1 Dy2 O191 73.8(2) 6_556 .
O1 Dy2 O1 127.6(5) . 6_556
O1 Dy2 C307 104.8(2) . 7_655
O1 Dy2 C307 104.8(2) 6_556 7_655
Dy2 O1AA H1AA 125.2 . .
Dy2 O1AA H1AB 125.2 . .
H1AA O1AA H1AB 109.5 . .
C1 O6AA Dy1 93.4(5) . .
C262 O8 Dy1 139.0(6) 7_665 .
C15 O4 Dy4 93.6(5) . .
C71 O16 Dy1 152.2(6) . 1_545
C55 O13 Dy4 141.9(7) . .
C15 O4AA Dy4 91.4(5) . .
Dy1 O43 Dy2 121.3(2) . 7_665
C307 O43 Dy1 142.3(5) . .
C307 O43 Dy2 96.4(5) . 7_665
C54 O12 Dy1 92.0(5) . .
C54 O61 Dy1 95.1(5) . .
Dy4 O68 H68A 109.6 . .
Dy4 O68 H68B 109.5 . .
H68A O68 H68B 114.4 . .
C41 O9 Dy3 86.8(10) . 5_666
C11 C12 H12 119.8 . .
C13 C12 H12 119.8 . .
C13 C12 C11 120.4(8) . .
C262 O7 Dy2 137.9(5) . .
C1 O5 Dy1 91.9(7) . .
C62 C63 H63 119.7 . .
C64 C63 H63 119.7 . .
C64 C63 C62 120.6(8) . .
C52 C48 C45 122.5(8) . .
C49 C48 C52 117.8(9) . .
C49 C48 C45 119.6(8) . .
C27 O6 Dy1 121.5(7) 7_665 .
C8 C9 H9 119.9 . .
C8 C9 C10 120.3(7) . .
C10 C9 H9 119.9 . .
C10 C18 H18 118.7 . .
C10 C18 C19 122.5(6) . .
C19 C18 H18 118.7 . .
C72 C73 C75 118.6(8) . .
C74 C73 C72 117.9(8) . .
C74 C73 C75 123.5(8) . .
Dy2 O191 H19A 109.6 . .
Dy2 O191 H19B 109.8 . .
H19A O191 H19B 109.5 . .
C63 C62 C61 119.3(8) . .
C74 C62 C63 117.5(8) . .
C74 C62 C61 123.1(8) . .
C12 C11 C10 121.8(7) . .
C17 C11 C12 119.1(7) . .
C17 C11 C10 119.0(7) . .
C27 O1 Dy2 133.7(6) . .
C6 C7 C8 121.6(7) . .
C6 C7 C4 117.8(7) . .
C4 C7 C8 120.5(6) . .
C58 C61 C62 120.6(8) . .
C58 C61 C60 118.5(8) . .
C60 C61 C62 120.8(8) . .
C9 C8 C7 120.7(6) . .
C9 C8 C20 119.5(6) . .
C20 C8 C7 119.8(6) . .
C22 C21 C19 121.6(7) . .
C24 C21 C19 120.2(7) . .
C24 C21 C22 118.2(7) . .
C69 C68 H68 119.8 . .
C69 C68 C65 120.3(8) . .
C65 C68 H68 119.8 . .
C35 C47 C33 120.1(7) . .
C46 C47 C35 118.8(7) . .
C46 C47 C33 121.1(7) . .
C7 C6 H6 119.1 . .
C5 C6 C7 121.8(8) . .
C5 C6 H6 119.1 . .
C68 C69 H69 119.4 . .
C68 C69 C70 121.1(7) . .
C70 C69 H69 119.4 . .
C35 C36 C37 122.3(9) . .
C35 C36 C44 118.4(8) . .
C44 C36 C37 119.3(8) . .
C47 C35 H35 119.4 . .
C36 C35 C47 121.2(8) . .
C36 C35 H35 119.4 . .
C13 C14 C15 121.4(8) . .
C16 C14 C13 118.7(7) . .
C16 C14 C15 119.8(8) . .
C73 C72 H72 119.4 . .
C64 C72 C73 121.2(7) . .
C64 C72 H72 119.4 . .
C9 C10 C11 121.8(6) . .
C18 C10 C9 118.7(6) . .
C18 C10 C11 119.5(6) . .
C12 C13 C14 121.1(8) . .
C12 C13 H13 119.5 . .
C14 C13 H13 119.5 . .
C36 C37 C43 114.6(9) . .
C38 C37 C36 125.8(11) . .
C38 C37 C43 118.4(11) . .
C78 C79 H79 119.3 . .
C80 C79 H79 119.3 . .
C80 C79 C78 121.4(12) . .
C48 C52 H52 119.5 . .
C48 C52 C51 121.1(9) . .
C51 C52 H52 119.5 . .
C81 O18 Dy3 141.6(12) . .
C18 C19 C21 121.2(6) . .
C18 C19 C20 117.8(6) . .
C20 C19 C21 121.0(6) . .
C36 C44 H44 118.8 . .
C45 C44 C36 122.4(8) . .
C45 C44 H44 118.8 . .
C33 C32 H32 119.8 . .
C33 C32 C31 120.4(8) . .
C31 C32 H32 119.8 . .
C37 C43 H43 120.7 . .
C42 C43 C37 118.6(12) . .
C42 C43 H43 120.7 . .
C32 C33 C47 120.1(7) . .
C32 C33 C30 118.9(7) . .
C30 C33 C47 121.0(7) . .
C63 C64 C65 120.3(7) . .
C72 C64 C63 119.2(7) . .
C72 C64 C65 120.5(7) . .
C4 C3 H3 119.4 . .
C4 C3 C2 121.2(7) . .
C2 C3 H3 119.4 . .
C61 C58 H58 119.4 . .
C61 C58 C57 121.2(9) . .
C57 C58 H58 119.4 . .
C7 C4 H4 119.7 . .
C3 C4 C7 120.7(7) . .
C3 C4 H4 119.7 . .
C31 C28 C29 119.6(7) . .
C31 C28 C262 120.6(7) . .
C29 C28 C262 119.8(7) . .
C32 C31 H31 120.2 . .
C28 C31 C32 119.6(8) . .
C28 C31 H31 120.2 . .
C48 C49 H49 118.8 . .
C48 C49 C50 122.4(10) . .
C50 C49 H49 118.8 . .
C22 C23 H23 119.7 . .
C26 C23 H23 119.7 . .
C26 C23 C22 120.6(8) . .
C33 C30 H30 120.0 . .
C29 C30 C33 120.0(7) . .
C29 C30 H30 120.0 . .
C73 C74 H74 118.2 . .
C62 C74 C73 123.5(8) . .
C62 C74 H74 118.2 . .
C67 C66 H66 120.0 . .
C65 C66 H66 120.0 . .
C65 C66 C67 120.0(8) . .
C6 C5 H5 120.0 . .
C6 C5 C2 120.0(7) . .
C2 C5 H5 120.0 . .
C21 C22 H22 120.0 . .
C23 C22 C21 120.0(8) . .
C23 C22 H22 120.0 . .
C79 C78 H78 119.7 . .
C75 C78 C79 120.6(12) . .
C75 C78 H78 119.7 . .
C21 C24 H24 119.7 . .
C25 C24 C21 120.6(8) . .
C25 C24 H24 119.7 . .
C69 C70 C67 119.2(7) . .
C69 C70 C71 120.8(7) . .
C67 C70 C71 119.9(8) . .
C28 C29 H29 119.3 . .
C30 C29 C28 121.5(7) . .
C30 C29 H29 119.3 . .
C78 C75 C73 123.6(10) . .
C78 C75 C76 117.5(10) . .
C76 C75 C73 118.9(8) . .
C58 C57 H57 120.0 . .
C56 C57 C58 119.9(10) . .
C56 C57 H57 120.0 . .
C66 C67 H67 119.8 . .
C70 C67 C66 120.5(8) . .
C70 C67 H67 119.8 . .
O8 C262 O7 125.2(7) 7_655 .
O8 C262 C28 117.6(7) 7_655 .
O7 C262 C28 117.2(7) . .
O4 C15 Dy4 59.4(4) . .
O4 C15 O4AA 120.1(8) . .
O4 C15 C14 118.1(8) . .
O4AA C15 Dy4 61.4(4) . .
O4AA C15 C14 121.8(8) . .
C14 C15 Dy4 170.3(6) . .
O13 C55 O14 125.7(10) . .
O13 C55 C56 117.2(10) . .
O14 C55 C56 117.0(10) . .
C39 C40 C41 126.7(15) . .
C39 C40 C42 118.4(12) . .
C42 C40 C41 111.3(14) . .
C44 C45 C48 119.3(8) . .
C44 C45 C46 117.8(8) . .
C46 C45 C48 122.9(8) . .
C3 C2 C5 118.6(7) . .
C3 C2 C1 120.8(7) . .
C5 C2 C1 120.6(7) . .
O43 C307 Dy2 58.0(5) . 7_665
O43 C307 Dy2 58.0(5) 6_556 7_665
O43 C307 O43 116.0(9) . 6_556
O43 C307 C536 122.0(5) 6_556 .
O43 C307 C536 122.0(5) . .
C536 C307 Dy2 176.5(8) . 7_665
C68 C65 C64 118.9(8) . .
C66 C65 C68 118.8(7) . .
C66 C65 C64 122.3(7) . .
C75 C76 H76 119.3 . .
C77 C76 C75 121.4(10) . .
C77 C76 H76 119.3 . .
C14 C16 H16 119.6 . .
C14 C16 C17 120.8(8) . .
C17 C16 H16 119.6 . .
O6AA C1 Dy1 60.0(4) . .
O6AA C1 O5 116.3(9) . .
O6AA C1 C2 121.3(7) . .
O6AA C1 O15 120.2(8) . .
O5 C1 Dy1 60.5(6) . .
O5 C1 C2 120.6(8) . .
O5 C1 O15 24.3(12) . .
C2 C1 Dy1 173.0(6) . .
O15 C1 Dy1 60.3(6) . .
O15 C1 C2 117.4(8) . .
C23 C26 C27 122.2(9) . .
C25 C26 C23 119.6(8) . .
C25 C26 C27 118.1(9) . .
C47 C46 C45 121.5(8) . .
C47 C46 H46 119.2 . .
C45 C46 H46 119.2 . .
C52 C51 H51 120.5 . .
C53 C51 C52 119.0(9) . .
C53 C51 H51 120.5 . .
O12 C54 Dy1 61.6(4) . .
O12 C54 O61 119.7(8) . .
O12 C54 C53 122.4(8) . 1_655
O61 C54 Dy1 58.2(5) . .
O61 C54 C53 117.9(8) . 1_655
C53 C54 Dy1 174.9(6) 1_655 .
C41 O10 Dy3 88.9(9) . 5_666
C57 C56 C55 121.4(10) . .
C57 C56 C59 118.6(9) . .
C59 C56 C55 120.0(9) . .
C40 C39 H39 119.4 . .
C40 C39 C38 121.2(13) . .
C38 C39 H39 119.4 . .
C11 C17 C16 119.9(7) . .
C11 C17 H17 120.0 . .
C16 C17 H17 120.0 . .
C51 C53 C54 120.9(8) . 1_455
C50 C53 C51 118.8(9) . .
C50 C53 C54 120.3(8) . 1_455
C79 C80 C81 123.8(14) . .
C77 C80 C79 116.3(13) . .
C77 C80 C81 119.8(14) . .
C37 C38 C39 123.7(13) . .
C37 C38 H38 118.2 . .
C39 C38 H38 118.2 . .
C24 C25 H25 119.6 . .
C26 C25 C24 120.8(8) . .
C26 C25 H25 119.6 . .
O9 C41 C40 115.4(16) . .
O9 C41 O10 125.1(14) . .
O9 C41 Dy3 66.2(8) . 5_666
C40 C41 Dy3 171.7(12) . 5_666
O10 C41 C40 118.8(13) . .
O10 C41 Dy3 61.5(8) . 5_666
C56 C59 H59 118.5 . .
C56 C59 C60 122.9(9) . .
C60 C59 H59 118.5 . .
C43 C42 C40 118.4(13) . .
C43 C42 H42 120.8 . .
C40 C42 H42 120.8 . .
O16 C71 C70 116.3(8) . .
O15B C71 O16 121.2(15) . .
O15B C71 C70 120.7(15) . .
O15B C71 O15A 25.6(13) . .
O15A C71 O16 124(2) . .
O15A C71 C70 118.0(19) . .
C76 C77 H77 118.6 . .
C80 C77 C76 122.8(13) . .
C80 C77 H77 118.6 . .
C61 C60 H60 120.7 . .
C59 C60 C61 118.6(9) . .
C59 C60 H60 120.7 . .
C49 C50 H50 119.8 . .
C53 C50 C49 120.4(10) . .
C53 C50 H50 119.8 . .
O6 C27 O1 123.5(9) 7_655 .
O6 C27 C26 118.5(9) 7_655 .
O1 C27 C26 118.0(10) . .
C307 C536 H53A 109.5 . .
C307 C536 H53B 109.5 . .
C307 C536 H53C 109.5 . .
O18 C81 C80 113.2(14) . .
O18 C81 O17 130.0(16) . .
O17 C81 C80 116.8(14) . .
Dy4 O2AA H2AA 109.8 . .
Dy4 O2AA H2AB 109.3 . .
H2AA O2AA H2AB 109.5 . .
C8 C20 H20 119.4 . .
C19 C20 C8 121.2(6) . .
C19 C20 H20 119.4 . .
O9 Dy3 O9 84.2(5) 5_666 2_664
O9 Dy3 C41 99.4(4) 2_664 5_666
O9 Dy3 C41 27.0(4) 5_666 5_666
O9 Dy3 C41 99.4(4) 5_666 2_664
O9 Dy3 C41 27.0(4) 2_664 2_664
O18 Dy3 O9 156.8(4) 6_556 5_666
O18 Dy3 O9 85.0(4) 6_556 2_664
O18 Dy3 O9 85.0(4) . 5_666
O18 Dy3 O9 156.8(4) . 2_664
O18 Dy3 O18 97.3(6) 6_556 .
O18 Dy3 O10 147.2(5) . 2_664
O18 Dy3 O10 84.5(5) . 5_666
O18 Dy3 O10 147.2(5) 6_556 5_666
O18 Dy3 O10 84.5(5) 6_556 2_664
O18 Dy3 C41 175.2(5) 6_556 5_666
O18 Dy3 C41 79.4(5) 6_556 2_664
O18 Dy3 C41 175.2(5) . 2_664
O18 Dy3 C41 79.4(5) . 5_666
O18 Dy3 O0AA 79.2(4) 6_556 .
O18 Dy3 O0AA 79.2(4) . .
O18 Dy3 O3AA 75.6(3) . .
O18 Dy3 O3AA 75.6(3) 6_556 .
O10 Dy3 O9 55.9(4) 5_666 5_666
O10 Dy3 O9 55.9(4) 2_664 2_664
O10 Dy3 O9 106.0(5) 5_666 2_664
O10 Dy3 O9 106.0(5) 2_664 5_666
O10 Dy3 O10 77.1(6) 5_666 2_664
O10 Dy3 C41 96.4(5) 2_664 5_666
O10 Dy3 C41 96.4(5) 5_666 2_664
O10 Dy3 C41 29.6(4) 5_666 5_666
O10 Dy3 C41 29.6(4) 2_664 2_664
C41 Dy3 C41 103.7(8) 5_666 2_664
O0AA Dy3 O9 78.5(3) . 5_666
O0AA Dy3 O9 78.5(3) . 2_664
O0AA Dy3 O10 132.8(3) . 5_666
O0AA Dy3 O10 132.8(3) . 2_664
O0AA Dy3 C41 103.3(4) . 5_666
O0AA Dy3 C41 103.3(4) . 2_664
O0AA Dy3 O3AA 141.5(3) . .
O3AA Dy3 O9 126.9(3) . 2_664
O3AA Dy3 O9 126.9(3) . 5_666
O3AA Dy3 O10 73.1(4) . 5_666
O3AA Dy3 O10 73.1(4) . 2_664
O3AA Dy3 C41 100.1(4) . 2_664
O3AA Dy3 C41 100.1(4) . 5_666
Dy3 O0AA H0AA 109.0 . .
Dy3 O0AA H0AB 109.7 . .
H0AA O0AA H0AB 109.5 . .
Dy3 O3AA H3AA 108.6 . .
Dy3 O3AA H3AB 109.2 . .
H3AA O3AA H3AB 109.5 . .
C1 O15 Dy1 92.1(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O6AA 2.439(5) .
Dy1 O8 2.295(5) .
Dy1 O16 2.260(5) 1_565
Dy1 O43 2.353(5) .
Dy1 O12 2.467(6) .
Dy1 O61 2.390(7) .
Dy1 O5 2.448(12) .
Dy1 O6 2.315(6) .
Dy1 C1 2.812(8) .
Dy1 C54 2.802(9) .
Dy1 O15 2.445(11) .
Dy4 O4 2.392(6) 6_557
Dy4 O4 2.392(6) .
Dy4 O13 2.279(6) 6_557
Dy4 O13 2.279(6) .
Dy4 O4AA 2.437(6) 6_557
Dy4 O4AA 2.437(6) .
Dy4 O68 2.385(8) .
Dy4 C15 2.774(8) .
Dy4 C15 2.774(8) 6_557
Dy4 O2AA 2.306(12) .
Dy2 O1AA 2.367(11) .
Dy2 O43 2.511(5) 7_655
Dy2 O43 2.511(5) 4_645
Dy2 O7 2.310(6) 6_556
Dy2 O7 2.310(6) .
Dy2 O191 2.353(10) .
Dy2 O1 2.345(7) 6_556
Dy2 O1 2.345(7) .
Dy2 C307 2.942(11) 7_655
O1AA H1AA 0.8497 .
O1AA H1AB 0.8497 .
O6AA C1 1.259(9) .
O8 C262 1.250(10) 7_665
O4 C15 1.262(10) .
O16 Dy1 2.260(5) 1_545
O16 C71 1.268(10) .
O13 C55 1.232(13) .
O4AA C15 1.267(10) .
O43 Dy2 2.511(5) 7_665
O43 C307 1.280(8) .
O12 C54 1.249(11) .
O61 C54 1.265(10) .
O68 H68A 0.8502 .
O68 H68B 0.8455 .
O9 C41 1.240(15) .
O9 Dy3 2.498(10) 5_666
C12 H12 0.9300 .
C12 C11 1.393(11) .
C12 C13 1.370(12) .
O7 C262 1.251(10) .
O5 C1 1.302(14) .
C63 H63 0.9300 .
C63 C62 1.421(12) .
C63 C64 1.395(11) .
C48 C52 1.366(12) .
C48 C49 1.356(13) .
C48 C45 1.498(12) .
O6 C27 1.236(12) 7_665
O14 C55 1.265(14) .
O15B C71 1.243(14) .
C9 H9 0.9300 .
C9 C8 1.387(10) .
C9 C10 1.417(10) .
C18 H18 0.9300 .
C18 C10 1.381(10) .
C18 C19 1.398(10) .
C73 C72 1.393(11) .
C73 C74 1.391(12) .
C73 C75 1.488(13) .
O191 H19A 0.8499 .
O191 H19B 0.8500 .
C62 C61 1.485(12) .
C62 C74 1.364(13) .
C11 C10 1.491(10) .
C11 C17 1.386(11) .
O1 C27 1.247(13) .
C7 C8 1.485(10) .
C7 C6 1.388(11) .
C7 C4 1.407(10) .
C61 C58 1.385(13) .
C61 C60 1.394(13) .
C8 C20 1.407(10) .
C21 C19 1.489(10) .
C21 C22 1.391(10) .
C21 C24 1.381(11) .
C68 H68 0.9300 .
C68 C69 1.369(11) .
C68 C65 1.409(11) .
C47 C35 1.428(11) .
C47 C33 1.494(11) .
C47 C46 1.379(11) .
C6 H6 0.9300 .
C6 C5 1.380(11) .
C69 H69 0.9300 .
C69 C70 1.379(11) .
C36 C35 1.367(11) .
C36 C37 1.494(12) .
C36 C44 1.408(13) .
C35 H35 0.9300 .
C14 C13 1.402(12) .
C14 C15 1.483(11) .
C14 C16 1.366(12) .
C72 H72 0.9300 .
C72 C64 1.389(12) .
C13 H13 0.9300 .
C37 C43 1.504(15) .
C37 C38 1.198(16) .
C79 H79 0.9300 .
C79 C78 1.456(19) .
C79 C80 1.37(2) .
C52 H52 0.9300 .
C52 C51 1.413(13) .
O18 C81 1.181(17) .
O18 Dy3 2.246(10) .
C19 C20 1.399(10) .
C44 H44 0.9300 .
C44 C45 1.391(13) .
C32 H32 0.9300 .
C32 C33 1.375(11) .
C32 C31 1.408(12) .
C43 H43 0.9300 .
C43 C42 1.376(15) .
C33 C30 1.402(11) .
C64 C65 1.480(11) .
C3 H3 0.9300 .
C3 C4 1.373(10) .
C3 C2 1.390(10) .
C58 H58 0.9300 .
C58 C57 1.401(13) .
C4 H4 0.9300 .
C28 C31 1.365(11) .
C28 C29 1.383(11) .
C28 C262 1.525(10) .
C31 H31 0.9300 .
C49 H49 0.9300 .
C49 C50 1.377(15) .
C23 H23 0.9300 .
C23 C22 1.386(12) .
C23 C26 1.366(13) .
C30 H30 0.9300 .
C30 C29 1.354(11) .
C74 H74 0.9300 .
C66 H66 0.9300 .
C66 C67 1.394(12) .
C66 C65 1.390(12) .
C5 H5 0.9300 .
C5 C2 1.399(11) .
C22 H22 0.9300 .
C78 H78 0.9300 .
C78 C75 1.328(14) .
C24 H24 0.9300 .
C24 C25 1.379(12) .
C70 C67 1.389(11) .
C70 C71 1.489(12) .
C29 H29 0.9300 .
C75 C76 1.395(14) .
C57 H57 0.9300 .
C57 C56 1.363(14) .
C67 H67 0.9300 .
C262 O8 1.250(10) 7_655
C55 C56 1.495(14) .
C40 C39 1.27(2) .
C40 C41 1.568(15) .
C40 C42 1.46(2) .
C45 C46 1.406(11) .
C2 C1 1.481(11) .
C307 Dy2 2.942(11) 7_665
C307 O43 1.280(8) 6_556
C307 C536 1.386(16) .
C76 H76 0.9300 .
C76 C77 1.384(16) .
C16 H16 0.9300 .
C16 C17 1.407(11) .
C1 O15 1.303(14) .
C26 C25 1.355(13) .
C26 C27 1.508(11) .
C46 H46 0.9300 .
C51 H51 0.9300 .
C51 C53 1.394(12) .
C54 C53 1.468(12) 1_655
O10 C41 1.348(19) .
O10 Dy3 2.395(11) 5_666
C56 C59 1.371(15) .
C39 H39 0.9300 .
C39 C38 1.458(19) .
C17 H17 0.9300 .
C53 C54 1.468(12) 1_455
C53 C50 1.358(14) .
C80 C77 1.35(2) .
C80 C81 1.533(16) .
C38 H38 0.9300 .
C25 H25 0.9300 .
C41 Dy3 2.725(16) 5_666
C59 H59 0.9300 .
C59 C60 1.384(14) .
C42 H42 0.9300 .
C71 O15A 1.253(16) .
C77 H77 0.9300 .
C60 H60 0.9300 .
C50 H50 0.9300 .
C27 O6 1.236(12) 7_655
C536 H53A 0.9600 .
C536 H53B 0.9600 .
C536 H53C 0.9600 .
O17 C81 1.249(19) .
O2AA H2AA 0.8502 .
O2AA H2AB 0.8498 .
C20 H20 0.9300 .
Dy3 O9 2.498(10) 2_664
Dy3 O9 2.498(10) 5_666
Dy3 O18 2.246(10) 6_556
Dy3 O10 2.395(11) 5_666
Dy3 O10 2.395(11) 2_664
Dy3 C41 2.725(16) 5_666
Dy3 C41 2.725(16) 2_664
Dy3 O0AA 2.290(9) .
Dy3 O3AA 2.374(10) .
O0AA H0AA 0.8496 .
O0AA H0AB 0.8501 .
O3AA H3AA 0.8501 .
O3AA H3AB 0.8501 .
O2 O2 0.91(2) 3_556
O11 O11 1.47(3) 3_556
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
Dy1 O6AA C1 O5 23.1(15) . .
Dy1 O6AA C1 C2 -172.0(7) . .
Dy1 O6AA C1 O15 -4.3(17) . .
Dy1 O16 C71 O15B -41(2) 1_545 .
Dy1 O16 C71 C70 153.7(9) 1_545 .
Dy1 O16 C71 O15A -11(2) 1_545 .
Dy1 O43 C307 Dy2 178.0(9) . 7_665
Dy1 O43 C307 O43 -179.15(18) . 6_556
Dy1 O43 C307 C536 2.1(16) . .
Dy1 O12 C54 O61 -3.2(10) . .
Dy1 O12 C54 C53 176.3(8) . 1_655
Dy1 O61 C54 O12 3.4(10) . .
Dy1 O61 C54 C53 -176.2(7) . 1_655
Dy1 O5 C1 O6AA -23.0(15) . .
Dy1 O5 C1 C2 172.0(7) . .
Dy1 O5 C1 O15 83(2) . .
Dy4 O4 C15 O4AA -10.0(9) . .
Dy4 O4 C15 C14 169.2(7) . .
Dy4 O13 C55 O14 1(3) . .
Dy4 O13 C55 C56 -175.3(10) . .
Dy4 O4AA C15 O4 9.8(9) . .
Dy4 O4AA C15 C14 -169.4(8) . .
Dy2 O43 C307 O43 2.9(9) 7_665 6_556
Dy2 O43 C307 C536 -175.9(9) 7_665 .
Dy2 O7 C262 O8 -30.5(14) . 7_655
Dy2 O7 C262 C28 148.6(6) . .
Dy2 O1 C27 O6 -35.8(17) . 7_655
Dy2 O1 C27 C26 143.4(8) . .
O1AA Dy2 O7 C262 -128.2(9) . .
O1AA Dy2 O1 C27 -150.6(12) . .
O6AA Dy1 O8 C262 108.1(8) . 7_665
O6AA Dy1 O43 Dy2 141.3(3) . 7_665
O6AA Dy1 O43 C307 -36.3(9) . .
O6AA Dy1 O12 C54 -99.1(6) . .
O6AA Dy1 O61 C54 72.0(7) . .
O6AA Dy1 O5 C1 13.1(9) . .
O6AA Dy1 O6 C27 -169.6(7) . 7_665
O6AA Dy1 C1 O5 -156.2(16) . .
O6AA Dy1 C1 C2 103(5) . .
O6AA Dy1 C1 O15 175.7(17) . .
O6AA Dy1 C54 O12 76.5(5) . .
O6AA Dy1 C54 O61 -106.8(7) . .
O6AA Dy1 C54 C53 -66(8) . 1_655
O6AA Dy1 O15 C1 -2.3(9) . .
O6AA C1 O15 Dy1 4.3(17) . .
O8 Dy1 O6AA C1 151.3(5) . .
O8 Dy1 O43 Dy2 -58.2(3) . 7_665
O8 Dy1 O43 C307 124.1(9) . .
O8 Dy1 O12 C54 95.5(6) . .
O8 Dy1 O61 C54 -81.7(7) . .
O8 Dy1 O5 C1 -152.7(6) . .
O8 Dy1 O6 C27 -12.3(8) . 7_665
O8 Dy1 C1 O6AA -104.1(10) . .
O8 Dy1 C1 O5 99.7(18) . .
O8 Dy1 C1 C2 -1(5) . .
O8 Dy1 C1 O15 71.7(18) . .
O8 Dy1 C54 O12 -80.7(5) . .
O8 Dy1 C54 O61 96.0(7) . .
O8 Dy1 C54 C53 137(8) . 1_655
O8 Dy1 O15 C1 -157.9(6) . .
O4 Dy4 O4 C15 123.0(5) 6_557 .
O4 Dy4 O13 C55 -26.9(19) 6_557 .
O4 Dy4 O13 C55 -78.1(16) . .
O4 Dy4 O4AA C15 -5.5(5) . .
O4 Dy4 O4AA C15 -69.1(6) 6_557 .
O4 Dy4 C15 O4 -55.4(5) 6_557 .
O4 Dy4 C15 O4AA 170.2(9) . .
O4 Dy4 C15 O4AA 114.8(5) 6_557 .
O4 Dy4 C15 C14 -78(4) . .
O4 Dy4 C15 C14 -133(4) 6_557 .
O16 Dy1 O6AA C1 -16.0(6) 1_565 .
O16 Dy1 O8 C262 -81.9(8) 1_565 7_665
O16 Dy1 O43 Dy2 -2.4(4) 1_565 7_665
O16 Dy1 O43 C307 180.0(9) 1_565 .
O16 Dy1 O12 C54 33.7(6) 1_565 .
O16 Dy1 O61 C54 -157.9(7) 1_565 .
O16 Dy1 O5 C1 -168.8(15) 1_565 .
O16 Dy1 O6 C27 57.8(7) 1_565 7_665
O16 Dy1 C1 O6AA 167.4(5) 1_565 .
O16 Dy1 C1 O5 11.2(15) 1_565 .
O16 Dy1 C1 C2 -90(4) 1_565 .
O16 Dy1 C1 O15 -16.8(15) 1_565 .
O16 Dy1 C54 O12 -153.7(5) 1_565 .
O16 Dy1 C54 O61 23.0(7) 1_565 .
O16 Dy1 C54 C53 64(8) 1_565 1_655
O16 Dy1 O15 C1 163.3(15) 1_565 .
O13 Dy4 O4 C15 -81.3(6) . .
O13 Dy4 O4 C15 175.1(6) 6_557 .
O13 Dy4 O13 C55 70.9(17) 6_557 .
O13 Dy4 O4AA C15 -172.2(7) 6_557 .
O13 Dy4 O4AA C15 80.1(6) . .
O13 Dy4 C15 O4 94.3(6) . .
O13 Dy4 C15 O4 -33(4) 6_557 .
O13 Dy4 C15 O4AA -95.5(6) . .
O13 Dy4 C15 O4AA 137(3) 6_557 .
O13 Dy4 C15 C14 -111(5) 6_557 .
O13 Dy4 C15 C14 16(4) . .
O13 C55 C56 C57 174.0(14) . .
O13 C55 C56 C59 -5(2) . .
O4AA Dy4 O4 C15 5.5(5) . .
O4AA Dy4 O4 C15 75.2(6) 6_557 .
O4AA Dy4 O13 C55 174.2(13) 6_557 .
O4AA Dy4 O13 C55 -132.6(16) . .
O4AA Dy4 O4AA C15 -119.0(5) 6_557 .
O4AA Dy4 C15 O4 -170.2(9) . .
O4AA Dy4 C15 O4 -109.5(6) 6_557 .
O4AA Dy4 C15 O4AA 60.7(5) 6_557 .
O4AA Dy4 C15 C14 112(4) . .
O4AA Dy4 C15 C14 172(4) 6_557 .
O43 Dy1 O6AA C1 -161.5(5) . .
O43 Dy1 O8 C262 59.3(8) . 7_665
O43 Dy1 O12 C54 173.4(6) . .
O43 Dy1 O61 C54 -13.3(8) . .
O43 Dy1 O5 C1 56.0(17) . .
O43 Dy1 O6 C27 -83.3(7) . 7_665
O43 Dy1 C1 O6AA 19.8(6) . .
O43 Dy1 C1 O5 -136.4(15) . .
O43 Dy1 C1 C2 122(4) . .
O43 Dy1 C1 O15 -164.4(15) . .
O43 Dy1 C54 O12 -6.8(6) . .
O43 Dy1 C54 O61 169.9(6) . .
O43 Dy1 C54 C53 -149(8) . 1_655
O43 Dy1 O15 C1 22(2) . .
O43 Dy2 O7 C262 75.7(9) 4_645 .
O43 Dy2 O7 C262 33.3(8) 7_655 .
O43 Dy2 O1 C27 21.0(12) 4_645 .
O43 Dy2 O1 C27 42.1(11) 7_655 .
O12 Dy1 O6AA C1 117.2(5) . .
O12 Dy1 O8 C262 141.9(8) . 7_665
O12 Dy1 O43 Dy2 -140.2(3) . 7_665
O12 Dy1 O43 C307 42.2(9) . .
O12 Dy1 O61 C54 -1.8(6) . .
O12 Dy1 O5 C1 -40.2(16) . .
O12 Dy1 O6 C27 -115.2(8) . 7_665
O12 Dy1 C1 O6AA -60.4(5) . .
O12 Dy1 C1 O5 143.4(15) . .
O12 Dy1 C1 C2 42(4) . .
O12 Dy1 C1 O15 115.3(15) . .
O12 Dy1 C54 O61 176.7(10) . .
O12 Dy1 C54 C53 -142(8) . 1_655
O12 Dy1 O15 C1 -67.6(14) . .
O61 Dy1 O6AA C1 65.4(5) . .
O61 Dy1 O8 C262 -165.0(8) . 7_665
O61 Dy1 O43 Dy2 -130.9(4) . 7_665
O61 Dy1 O43 C307 51.5(10) . .
O61 Dy1 O12 C54 1.9(6) . .
O61 Dy1 O5 C1 -84.7(14) . .
O61 Dy1 O6 C27 103.4(9) . 7_665
O61 Dy1 C1 O6AA -112.8(5) . .
O61 Dy1 C1 O5 91.0(15) . .
O61 Dy1 C1 C2 -10(4) . .
O61 Dy1 C1 O15 62.9(15) . .
O61 Dy1 C54 O12 -176.7(10) . .
O61 Dy1 C54 C53 41(7) . 1_655
O61 Dy1 O15 C1 -110.1(14) . .
O68 Dy4 O4 C15 -158.9(6) . .
O68 Dy4 O13 C55 -0.9(16) . .
O68 Dy4 O4AA C15 13.7(6) . .
O68 Dy4 C15 O4 20.9(6) . .
O68 Dy4 C15 O4AA -168.9(5) . .
O68 Dy4 C15 C14 -57(4) . .
C12 C11 C10 C9 -43.2(11) . .
C12 C11 C10 C18 135.8(8) . .
C12 C11 C17 C16 0.0(13) . .
O7 Dy2 O7 C262 147.9(8) 6_556 .
O7 Dy2 O1 C27 124.2(11) . .
O7 Dy2 O1 C27 153.2(9) 6_556 .
O5 Dy1 O6AA C1 -13.5(9) . .
O5 Dy1 O8 C262 -98.1(15) . 7_665
O5 Dy1 O43 Dy2 108.3(6) . 7_665
O5 Dy1 O43 C307 -69.3(11) . .
O5 Dy1 O12 C54 -58.3(8) . .
O5 Dy1 O61 C54 124.2(7) . .
O5 Dy1 O6 C27 138.3(8) . 7_665
O5 Dy1 C1 O6AA 156.2(16) . .
O5 Dy1 C1 C2 -101(5) . .
O5 Dy1 C1 O15 -28.1(13) . .
O5 Dy1 C54 O12 127.6(6) . .
O5 Dy1 C54 O61 -55.7(8) . .
O5 Dy1 C54 C53 -15(8) . 1_655
O5 Dy1 O15 C1 77(2) . .
O5 C1 O15 Dy1 -83(2) . .
C63 C62 C61 C58 -41.8(16) . .
C63 C62 C61 C60 141.8(12) . .
C63 C62 C74 C73 2.5(14) . .
C63 C64 C65 C68 134.0(8) . .
C63 C64 C65 C66 -46.2(11) . .
C48 C52 C51 C53 3.8(17) . .
C48 C49 C50 C53 8(2) . .
C48 C45 C46 C47 -178.7(8) . .
O6 Dy1 O6AA C1 -84.7(5) . .
O6 Dy1 O8 C262 -11.7(8) . 7_665
O6 Dy1 O43 Dy2 53.7(3) . 7_665
O6 Dy1 O43 C307 -123.9(9) . .
O6 Dy1 O12 C54 -155.3(6) . .
O6 Dy1 O61 C54 157.7(6) . .
O6 Dy1 O5 C1 112.0(14) . .
O6 Dy1 C1 O6AA 93.3(5) . .
O6 Dy1 C1 O5 -62.9(15) . .
O6 Dy1 C1 C2 -164(4) . .
O6 Dy1 C1 O15 -91.0(15) . .
O6 Dy1 C54 O12 99.9(13) . .
O6 Dy1 C54 O61 -83.4(15) . .
O6 Dy1 C54 C53 -42(8) . 1_655
O6 Dy1 O15 C1 86.6(14) . .
O14 C55 C56 C57 -2(2) . .
O14 C55 C56 C59 178.5(16) . .
C9 C8 C20 C19 2.2(10) . .
C18 C19 C20 C8 -1.9(10) . .
C73 C72 C64 C63 -2.2(12) . .
C73 C72 C64 C65 177.9(8) . .
C73 C75 C76 C77 179.1(13) . .
O191 Dy2 O7 C262 -18.7(11) . .
O191 Dy2 O1 C27 -36.7(11) . .
C62 C63 C64 C72 3.4(12) . .
C62 C63 C64 C65 -176.8(8) . .
C62 C61 C58 C57 -176.0(12) . .
C62 C61 C60 C59 178.9(13) . .
C11 C12 C13 C14 2.0(15) . .
O1 Dy2 O7 C262 -50.3(9) . .
O1 Dy2 O7 C262 177.2(8) 6_556 .
O1 Dy2 O1 C27 -90.5(12) 6_556 .
C7 C8 C20 C19 -175.7(6) . .
C7 C6 C5 C2 0.0(15) . .
C61 C62 C74 C73 -177.5(9) . .
C61 C58 C57 C56 -2(2) . .
C8 C9 C10 C18 -1.0(11) . .
C8 C9 C10 C11 178.0(7) . .
C8 C7 C6 C5 176.8(8) . .
C8 C7 C4 C3 -177.3(7) . .
C21 C19 C20 C8 178.2(7) . .
C21 C24 C25 C26 3.6(16) . .
C68 C69 C70 C67 1.2(12) . .
C68 C69 C70 C71 -179.1(7) . .
C47 C33 C30 C29 178.7(7) . .
C6 C7 C8 C9 143.3(8) . .
C6 C7 C8 C20 -38.8(11) . .
C6 C7 C4 C3 -0.6(11) . .
C6 C5 C2 C3 0.2(13) . .
C6 C5 C2 C1 177.7(8) . .
C69 C68 C65 C64 178.2(7) . .
C69 C68 C65 C66 -1.5(11) . .
C69 C70 C67 C66 -2.0(12) . .
C69 C70 C71 O16 5.0(12) . .
C69 C70 C71 O15B -159.9(18) . .
C69 C70 C71 O15A 170.8(18) . .
C36 C37 C43 C42 -172.5(11) . .
C36 C37 C38 C39 166.4(12) . .
C36 C44 C45 C48 179.6(8) . .
C36 C44 C45 C46 -0.1(14) . .
C35 C47 C33 C32 -139.5(8) . .
C35 C47 C33 C30 42.0(11) . .
C35 C47 C46 C45 -0.8(12) . .
C35 C36 C37 C43 -141.6(10) . .
C35 C36 C37 C38 51.1(17) . .
C35 C36 C44 C45 -0.9(14) . .
C14 C16 C17 C11 0.3(14) . .
C72 C73 C74 C62 -1.4(13) . .
C72 C73 C75 C78 136.4(11) . .
C72 C73 C75 C76 -43.3(14) . .
C72 C64 C65 C68 -46.1(10) . .
C72 C64 C65 C66 133.6(8) . .
C10 C9 C8 C7 177.1(6) . .
C10 C9 C8 C20 -0.7(10) . .
C10 C18 C19 C21 -179.9(7) . .
C10 C18 C19 C20 0.2(10) . .
C10 C11 C17 C16 176.0(7) . .
C13 C12 C11 C10 -177.0(8) . .
C13 C12 C11 C17 -1.1(14) . .
C13 C14 C15 Dy4 -98(4) . .
C13 C14 C15 O4 -170.5(9) . .
C13 C14 C15 O4AA 8.6(14) . .
C13 C14 C16 C17 0.6(14) . .
C37 C36 C35 C47 -178.2(8) . .
C37 C36 C44 C45 178.5(9) . .
C37 C43 C42 C40 0(2) . .
C79 C78 C75 C73 179.0(11) . .
C79 C78 C75 C76 -1.3(19) . .
C79 C80 C77 C76 -1(3) . .
C79 C80 C81 O18 -7(3) . .
C79 C80 C81 O17 174(2) . .
C52 C48 C49 C50 -6(2) . .
C52 C48 C45 C44 143.4(10) . .
C52 C48 C45 C46 -36.9(14) . .
C52 C51 C53 C54 177.5(9) . 1_455
C52 C51 C53 C50 -1.6(17) . .
C19 C18 C10 C9 1.2(11) . .
C19 C18 C10 C11 -177.7(7) . .
C19 C21 C22 C23 179.9(7) . .
C19 C21 C24 C25 178.2(8) . .
C44 C36 C35 C47 1.2(13) . .
C44 C36 C37 C43 39.0(13) . .
C44 C36 C37 C38 -128.2(15) . .
C44 C45 C46 C47 1.0(13) . .
C32 C33 C30 C29 0.1(12) . .
C43 C37 C38 C39 0(2) . .
C33 C47 C35 C36 179.9(8) . .
C33 C47 C46 C45 178.9(7) . .
C33 C32 C31 C28 2.3(14) . .
C33 C30 C29 C28 1.3(12) . .
C64 C63 C62 C61 176.5(8) . .
C64 C63 C62 C74 -3.5(13) . .
C3 C2 C1 Dy1 77(5) . .
C3 C2 C1 O6AA 175.6(8) . .
C3 C2 C1 O5 -20.1(19) . .
C3 C2 C1 O15 7.6(18) . .
C58 C61 C60 C59 2(2) . .
C58 C57 C56 C55 -178.6(13) . .
C58 C57 C56 C59 0(2) . .
C4 C7 C8 C9 -40.2(10) . .
C4 C7 C8 C20 137.7(7) . .
C4 C7 C6 C5 0.2(13) . .
C4 C3 C2 C5 -0.6(12) . .
C4 C3 C2 C1 -178.1(7) . .
C31 C32 C33 C47 179.5(8) . .
C31 C32 C33 C30 -1.9(13) . .
C31 C28 C29 C30 -1.0(13) . .
C31 C28 C262 O8 -172.6(8) . 7_655
C31 C28 C262 O7 8.2(12) . .
C49 C48 C52 C51 0.0(17) . .
C49 C48 C45 C44 -33.7(14) . .
C49 C48 C45 C46 146.0(11) . .
C23 C26 C25 C24 -5.4(15) . .
C23 C26 C27 O6 177.4(9) . 7_655
C23 C26 C27 O1 -1.8(14) . .
C74 C73 C72 C64 1.2(12) . .
C74 C73 C75 C78 -42.2(16) . .
C74 C73 C75 C76 138.1(11) . .
C74 C62 C61 C58 138.2(12) . .
C74 C62 C61 C60 -38.1(17) . .
C5 C2 C1 Dy1 -100(4) . .
C5 C2 C1 O6AA -1.9(13) . .
C5 C2 C1 O5 162.4(17) . .
C5 C2 C1 O15 -169.9(16) . .
C22 C21 C19 C18 147.7(7) . .
C22 C21 C19 C20 -32.4(11) . .
C22 C21 C24 C25 0.2(13) . .
C22 C23 C26 C25 3.3(14) . .
C22 C23 C26 C27 179.2(8) . .
C78 C79 C80 C77 -1(3) . .
C78 C79 C80 C81 177.9(17) . .
C78 C75 C76 C77 -1(2) . .
C24 C21 C19 C18 -30.2(11) . .
C24 C21 C19 C20 149.8(8) . .
C24 C21 C22 C23 -2.3(12) . .
C29 C28 C31 C32 -0.8(13) . .
C29 C28 C262 O8 9.3(11) . 7_655
C29 C28 C262 O7 -169.8(8) . .
C75 C73 C72 C64 -177.5(8) . .
C75 C73 C74 C62 177.2(9) . .
C75 C76 C77 C80 2(3) . .
C57 C56 C59 C60 3(3) . .
C67 C66 C65 C68 0.6(12) . .
C67 C66 C65 C64 -179.1(7) . .
C67 C70 C71 O16 -175.3(8) . .
C67 C70 C71 O15B 20(2) . .
C67 C70 C71 O15A -9(2) . .
C262 C28 C31 C32 -178.9(8) . .
C262 C28 C29 C30 177.1(7) . .
C15 Dy4 O4 C15 100.5(6) 6_557 .
C15 Dy4 O13 C55 -56(4) 6_557 .
C15 Dy4 O13 C55 -105.3(16) . .
C15 Dy4 O4AA C15 -95.3(6) 6_557 .
C15 Dy4 C15 O4 -82.2(6) 6_557 .
C15 Dy4 C15 O4AA 88.0(6) 6_557 .
C15 Dy4 C15 C14 -160(4) 6_557 .
C15 C14 C13 C12 174.4(9) . .
C15 C14 C16 C17 -175.6(8) . .
C55 C56 C59 C60 -178.4(15) . .
C40 C39 C38 C37 10(3) . .
C45 C48 C52 C51 -177.1(9) . .
C45 C48 C49 C50 171.1(13) . .
C2 C3 C4 C7 0.8(12) . .
C2 C1 O15 Dy1 172.4(7) . .
C307 Dy2 O7 C262 53.5(9) 7_655 .
C307 Dy2 O1 C27 32.1(11) 7_655 .
C65 C68 C69 C70 0.6(12) . .
C65 C66 C67 C70 1.1(12) . .
C16 C14 C13 C12 -1.8(15) . .
C16 C14 C15 Dy4 78(4) . .
C16 C14 C15 O4 5.6(13) . .
C16 C14 C15 O4AA -175.2(9) . .
C1 Dy1 O8 C262 -173.6(9) . 7_665
C1 Dy1 O43 Dy2 132.6(3) . 7_665
C1 Dy1 O43 C307 -45.1(9) . .
C1 Dy1 O12 C54 -75.7(6) . .
C1 Dy1 O61 C54 96.3(7) . .
C1 Dy1 O6 C27 163.8(7) . 7_665
C1 Dy1 C54 O12 103.2(5) . .
C1 Dy1 C54 O61 -80.1(7) . .
C1 Dy1 C54 C53 -39(8) . 1_655
C26 C23 C22 C21 0.5(14) . .
C46 C47 C35 C36 -0.3(12) . .
C46 C47 C33 C32 40.8(12) . .
C46 C47 C33 C30 -137.7(8) . .
C51 C53 C50 C49 -4(2) . .
C54 Dy1 O6AA C1 91.0(5) . .
C54 Dy1 O8 C262 168.4(8) . 7_665
C54 Dy1 O43 Dy2 -137.1(3) . 7_665
C54 Dy1 O43 C307 45.3(9) . .
C54 Dy1 O5 C1 -62.7(14) . .
C54 Dy1 O6 C27 167.1(11) . 7_665
C54 Dy1 C1 O6AA -86.1(5) . .
C54 Dy1 C1 O5 117.7(15) . .
C54 Dy1 C1 C2 16(4) . .
C54 Dy1 C1 O15 89.6(15) . .
C54 Dy1 O15 C1 -87.7(14) . .
C54 C53 C50 C49 176.6(12) 1_455 .
C56 C59 C60 C61 -4(3) . .
C39 C40 C41 O9 -30(3) . .
C39 C40 C41 O10 159(2) . .
C39 C40 C41 Dy3 69(9) . 5_666
C39 C40 C42 C43 9(2) . .
C17 C11 C10 C9 140.9(8) . .
C17 C11 C10 C18 -40.1(10) . .
C80 C79 C78 C75 2(2) . .
C38 C37 C43 C42 -4.2(19) . .
C25 C26 C27 O6 -6.6(14) . 7_655
C25 C26 C27 O1 174.1(10) . .
C41 C40 C39 C38 -170.2(16) . .
C41 C40 C42 C43 168.6(13) . .
C42 C40 C39 C38 -14(3) . .
C42 C40 C41 O9 171.5(15) . .
C42 C40 C41 O10 1(2) . .
C42 C40 C41 Dy3 -89(8) . 5_666
C71 C70 C67 C66 178.2(8) . .
C77 C80 C81 O18 171.5(19) . .
C77 C80 C81 O17 -7(3) . .
C60 C61 C58 C57 0(2) . .
C27 C26 C25 C24 178.6(9) . .
C81 O18 Dy3 O9 157(2) . 2_664
C81 O18 Dy3 O9 -140(2) . 5_666
C81 O18 Dy3 O18 63(2) . 6_556
C81 O18 Dy3 O10 -28(3) . 2_664
C81 O18 Dy3 O10 -84(2) . 5_666
C81 O18 Dy3 C41 -113(2) . 5_666
C81 O18 Dy3 C41 17(7) . 2_664
C81 O18 Dy3 O0AA 141(2) . .
C81 O18 Dy3 O3AA -10(2) . .
C81 C80 C77 C76 -180.0(17) . .
O2AA Dy4 O4 C15 -19.1(9) . .
O2AA Dy4 O13 C55 142.7(17) . .
O2AA Dy4 O4AA C15 157.0(6) . .
O2AA Dy4 C15 O4 165.7(6) . .
O2AA Dy4 C15 O4AA -24.1(7) . .
O2AA Dy4 C15 C14 88(4) . .
Dy3 O9 C41 C40 171.1(14) 5_666 .
Dy3 O9 C41 O10 -18.8(19) 5_666 .
Dy3 O18 C81 C80 -172.4(13) . .
Dy3 O18 C81 O17 6(4) . .
Dy3 O10 C41 O9 20(2) 5_666 .
Dy3 O10 C41 C40 -170.6(14) 5_666 .
O15 Dy1 O6AA C1 2.4(10) . .
O15 Dy1 O8 C262 -121.0(13) . 7_665
O15 Dy1 O43 Dy2 122.1(9) . 7_665
O15 Dy1 O43 C307 -55.6(13) . .
O15 Dy1 O12 C54 -50.3(7) . .
O15 Dy1 O61 C54 122.5(7) . .
O15 Dy1 O5 C1 -78(2) . .
O15 Dy1 O6 C27 136.1(8) . 7_665
O15 Dy1 C1 O6AA -175.7(17) . .
O15 Dy1 C1 O5 28.1(13) . .
O15 Dy1 C1 C2 -73(5) . .
O15 Dy1 C54 O12 130.9(6) . .
O15 Dy1 C54 O61 -52.4(7) . .
O15 Dy1 C54 C53 -11(8) . 1_655
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 0.196 0.011 0.164 7774 1941 ' '
