#------------------------------------------------------------------------------
#$Date: 2017-11-24 09:52:34 +0200 (Fri, 24 Nov 2017) $
#$Revision: 203522 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/81/1548186.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_1548186
loop_
_publ_author_name
'Thomas Pugh'
'Floriana Tuna'
'Liviu Ungur'
'David Collison'
'Eric J.L. McInnes'
'Liviu F. Chibotaru'
'Richard A. Layfield'
_publ_section_title
;
 Influencing the properties of dysprosium single-molecule magnets with
 phosphorus donor ligands
;
_journal_name_full               'Nature Communications'
_journal_page_first              7492
_journal_paper_doi               10.1038/ncomms8492
_journal_volume                  6
_journal_year                    2015
_chemical_formula_sum            'C194 H286 Dy6 Li O17 P6'
_chemical_formula_weight         4092.70
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                90
_cell_angle_beta                 95.319(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   22.3210(5)
_cell_length_b                   15.7702(3)
_cell_length_c                   27.9921(7)
_cell_measurement_reflns_used    11131
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.78
_cell_measurement_theta_min      3.251
_cell_volume                     9811.0(4)
_computing_cell_refinement
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
        (compiled Dec  3 2012,18:21:49)
;
_computing_data_collection
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
        (compiled Dec  3 2012,18:21:49)
;
_computing_data_reduction
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
        (compiled Dec  3 2012,18:21:49)
;
_computing_structure_refinement  'SHELXL-2012 (Sheldrick, 2012)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.0714
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0216834
_diffrn_orient_matrix_UB_12      0.0044217
_diffrn_orient_matrix_UB_13      0.0168342
_diffrn_orient_matrix_UB_21      -0.020988
_diffrn_orient_matrix_UB_22      0.0161251
_diffrn_orient_matrix_UB_23      -0.0183177
_diffrn_orient_matrix_UB_31      -0.0104038
_diffrn_orient_matrix_UB_32      -0.0417607
_diffrn_orient_matrix_UB_33      -0.0053125
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0331
_diffrn_reflns_av_unetI/netI     0.0688
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            29590
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.144
_exptl_absorpt_coefficient_mu    2.361
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.99442
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
        (compiled Dec  3 2012,18:21:49)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_description       block
_exptl_crystal_F_000             4180
_exptl_crystal_size_max          0.5692
_exptl_crystal_size_mid          0.3365
_exptl_crystal_size_min          0.1924
_refine_diff_density_max         1.44
_refine_diff_density_min         -1.378
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1137
_refine_ls_number_reflns         17805
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0433
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0465P)²+6.6794P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0997
_refine_ls_wR_factor_ref         0.1099
_reflns_number_gt                14232
_reflns_number_total             17805
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ncomms8492-s4.cif
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C194 H286 Dy6 Li1 O17 P6'
_cod_database_code               1548186
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.62616(2) 0.65920(2) 0.62463(2) 0.02739(8) Uani 1 d . .
Dy2 Dy 0.75185(2) 0.72893(2) 0.48523(2) 0.02947(8) Uani 1 d . .
Dy3 Dy 0.82872(2) 0.81599(2) 0.65620(2) 0.02830(8) Uani 1 d . .
P1 P 0.64647(7) 0.70621(9) 0.53079(5) 0.0285(3) Uani 1 d . .
P2 P 0.80508(7) 0.83826(9) 0.55702(5) 0.0302(3) Uani 1 d . .
P3 P 0.70812(7) 0.77945(9) 0.66478(5) 0.0277(3) Uani 1 d . .
C1 C 0.6486(3) 0.4940(3) 0.5992(2) 0.0376(14) Uani 1 d . .
C2 C 0.6145(3) 0.4886(3) 0.6387(2) 0.0419(15) Uani 1 d . .
H1 H 0.5756 0.4672 0.6383 0.05 Uiso 1 calc . .
C3 C 0.6492(3) 0.5213(4) 0.6791(2) 0.0415(15) Uani 1 d . .
H2 H 0.6369 0.526 0.7099 0.05 Uiso 1 calc . .
C4 C 0.7052(3) 0.5456(3) 0.6652(2) 0.0342(13) Uani 1 d . .
H3 H 0.7371 0.5676 0.6851 0.041 Uiso 1 calc . .
C5 C 0.7047(3) 0.5308(3) 0.61568(19) 0.0311(13) Uani 1 d . .
H4 H 0.7359 0.543 0.5969 0.037 Uiso 1 calc . .
C6 C 0.6295(3) 0.4600(4) 0.5500(2) 0.0510(17) Uani 1 d . .
H5 H 0.651 0.4085 0.5449 0.076 Uiso 1 calc . .
H6 H 0.6381 0.5011 0.5263 0.076 Uiso 1 calc . .
H7 H 0.587 0.4486 0.5473 0.076 Uiso 1 calc . .
C7 C 0.5060(3) 0.6562(4) 0.6145(3) 0.0455(16) Uani 1 d . .
C8 C 0.5209(3) 0.7427(4) 0.6075(2) 0.0410(15) Uani 1 d . .
H8 H 0.5145 0.7725 0.5788 0.049 Uiso 1 calc . .
C9 C 0.5465(3) 0.7752(4) 0.6507(2) 0.0459(16) Uani 1 d . .
H9 H 0.5603 0.8304 0.656 0.055 Uiso 1 calc . .
C10 C 0.5479(3) 0.7105(4) 0.6851(2) 0.0512(17) Uani 1 d . .
H10 H 0.5633 0.7153 0.717 0.061 Uiso 1 calc . .
C11 C 0.5228(3) 0.6384(4) 0.6636(2) 0.0454(16) Uani 1 d . .
H11 H 0.5177 0.5868 0.6788 0.054 Uiso 1 calc . .
C12 C 0.4779(3) 0.5985(4) 0.5767(3) 0.063(2) Uani 1 d . .
H12 H 0.4368 0.588 0.5824 0.094 Uiso 1 calc . .
H13 H 0.4995 0.5458 0.5776 0.094 Uiso 1 calc . .
H14 H 0.4792 0.6244 0.5458 0.094 Uiso 1 calc . .
C13 C 0.7773(3) 0.5701(4) 0.4508(2) 0.0528(18) Uani 1 d . .
C14 C 0.7668(3) 0.5593(4) 0.4991(2) 0.0427(15) Uani 1 d . .
H15 H 0.7345 0.5306 0.5103 0.051 Uiso 1 calc . .
C15 C 0.8131(3) 0.5990(3) 0.5273(2) 0.0397(15) Uani 1 d . .
H16 H 0.8173 0.6013 0.5607 0.048 Uiso 1 calc . .
C16 C 0.8527(3) 0.6354(4) 0.4964(3) 0.0501(17) Uani 1 d . .
H17 H 0.8875 0.6661 0.5055 0.06 Uiso 1 calc . .
C17 C 0.8294(4) 0.6164(4) 0.4496(3) 0.060(2) Uani 1 d . .
H18 H 0.8465 0.6324 0.4219 0.072 Uiso 1 calc . .
C18 C 0.7380(5) 0.5309(5) 0.4085(3) 0.093(3) Uani 1 d . .
H19 H 0.7405 0.5651 0.3804 0.14 Uiso 1 calc . .
H20 H 0.6969 0.5286 0.4161 0.14 Uiso 1 calc . .
H21 H 0.7519 0.4746 0.4026 0.14 Uiso 1 calc . .
C19 C 0.7752(3) 0.8136(5) 0.4056(2) 0.056(2) Uani 1 d . .
C20 C 0.7460(4) 0.8722(4) 0.4334(2) 0.057(2) Uani 1 d . .
H22 H 0.7637 0.9203 0.4479 0.068 Uiso 1 calc . .
C21 C 0.6866(3) 0.8472(4) 0.4360(2) 0.0477(17) Uani 1 d . .
H23 H 0.6577 0.8752 0.4519 0.057 Uiso 1 calc . .
C22 C 0.6789(3) 0.7730(4) 0.4104(2) 0.0433(16) Uani 1 d . .
H24 H 0.6433 0.742 0.4065 0.052 Uiso 1 calc . .
C23 C 0.7323(3) 0.7513(4) 0.39126(19) 0.0423(15) Uani 1 d . .
H25 H 0.7384 0.7041 0.3724 0.051 Uiso 1 calc . .
C24 C 0.8383(4) 0.8179(7) 0.3915(3) 0.102(4) Uani 1 d . .
H26 H 0.8548 0.7618 0.3908 0.152 Uiso 1 calc . .
H27 H 0.8625 0.8517 0.4143 0.152 Uiso 1 calc . .
H28 H 0.8381 0.8431 0.3602 0.152 Uiso 1 calc . .
C25 C 0.8522(3) 0.9173(4) 0.7333(2) 0.0479(17) Uani 1 d . .
C26 C 0.8044(3) 0.9565(4) 0.7049(2) 0.0485(17) Uani 1 d . .
H29 H 0.7654 0.9624 0.7136 0.058 Uiso 1 calc . .
C27 C 0.8243(4) 0.9847(4) 0.6622(2) 0.056(2) Uani 1 d . .
H30 H 0.8012 1.0127 0.6377 0.068 Uiso 1 calc . .
C28 C 0.8844(4) 0.9640(4) 0.6624(3) 0.060(2) Uani 1 d . .
H31 H 0.9087 0.9747 0.6379 0.072 Uiso 1 calc . .
C29 C 0.9022(3) 0.9241(4) 0.7061(3) 0.0570(19) Uani 1 d . .
H32 H 0.9408 0.905 0.7157 0.068 Uiso 1 calc . .
C30 C 0.8494(4) 0.8782(5) 0.7818(2) 0.073(2) Uani 1 d . .
H33 H 0.8233 0.9113 0.7999 0.11 Uiso 1 calc . .
H34 H 0.889 0.8768 0.7983 0.11 Uiso 1 calc . .
H35 H 0.8339 0.8215 0.7782 0.11 Uiso 1 calc . .
C31 C 0.9365(3) 0.7307(4) 0.6632(2) 0.0448(16) Uani 1 d . .
C32 C 0.9144(3) 0.7214(4) 0.7081(2) 0.0456(16) Uani 1 d . .
H36 H 0.932 0.7444 0.7366 0.055 Uiso 1 calc . .
C33 C 0.8621(3) 0.6725(4) 0.7039(2) 0.0458(16) Uani 1 d . .
H37 H 0.8386 0.658 0.7284 0.055 Uiso 1 calc . .
C34 C 0.8517(3) 0.6491(4) 0.6551(2) 0.0416(15) Uani 1 d . .
H38 H 0.8201 0.6158 0.6416 0.05 Uiso 1 calc . .
C35 C 0.8973(3) 0.6846(4) 0.6309(2) 0.0405(15) Uani 1 d . .
H39 H 0.9011 0.6787 0.5982 0.049 Uiso 1 calc . .
C36 C 0.9933(3) 0.7754(5) 0.6514(3) 0.067(2) Uani 1 d . .
H40 H 1.0175 0.7889 0.6805 0.1 Uiso 1 calc . .
H41 H 0.9828 0.8267 0.6341 0.1 Uiso 1 calc . .
H42 H 1.0155 0.739 0.632 0.1 Uiso 1 calc . .
C37 C 0.5786(2) 0.7521(3) 0.49713(19) 0.0310(13) Uani 1 d . .
C38 C 0.5434(3) 0.7018(4) 0.4635(2) 0.0367(14) Uani 1 d . .
C39 C 0.4903(3) 0.7349(4) 0.4397(2) 0.0435(16) Uani 1 d . .
H43 H 0.4681 0.7009 0.4174 0.052 Uiso 1 calc . .
C40 C 0.4698(3) 0.8150(4) 0.4477(2) 0.0485(17) Uani 1 d . .
C41 C 0.5045(3) 0.8641(4) 0.4800(2) 0.0431(16) Uani 1 d . .
H44 H 0.4917 0.919 0.4858 0.052 Uiso 1 calc . .
C42 C 0.5578(3) 0.8356(3) 0.5046(2) 0.0356(14) Uani 1 d . .
C43 C 0.5613(3) 0.6127(4) 0.4529(2) 0.0482(17) Uani 1 d . .
H45 H 0.5569 0.5776 0.4804 0.072 Uiso 1 calc . .
H46 H 0.6024 0.6119 0.4455 0.072 Uiso 1 calc . .
H47 H 0.5359 0.5916 0.4259 0.072 Uiso 1 calc . .
C44 C 0.4112(3) 0.8483(5) 0.4220(3) 0.071(2) Uani 1 d . .
H48 H 0.3854 0.8681 0.4453 0.107 Uiso 1 calc . .
H49 H 0.3914 0.8036 0.4034 0.107 Uiso 1 calc . .
H50 H 0.4198 0.8942 0.4012 0.107 Uiso 1 calc . .
C45 C 0.5915(3) 0.8935(4) 0.5395(2) 0.0484(17) Uani 1 d . .
H51 H 0.5684 0.944 0.5431 0.073 Uiso 1 calc . .
H52 H 0.6294 0.9082 0.528 0.073 Uiso 1 calc . .
H53 H 0.5986 0.8656 0.57 0.073 Uiso 1 calc . .
C46 C 0.8316(2) 0.9385(3) 0.53201(18) 0.0275(12) Uani 1 d . .
C47 C 0.7967(2) 1.0132(3) 0.52619(18) 0.0303(12) Uani 1 d . .
C48 C 0.8174(3) 1.0835(4) 0.50286(19) 0.0357(14) Uani 1 d . .
H54 H 0.7933 1.1317 0.4999 0.043 Uiso 1 calc . .
C49 C 0.8722(3) 1.0846(3) 0.4840(2) 0.0359(14) Uani 1 d . .
C50 C 0.9081(3) 1.0122(3) 0.49049(19) 0.0347(13) Uani 1 d . .
H55 H 0.9457 1.0116 0.4786 0.042 Uiso 1 calc . .
C51 C 0.8890(2) 0.9410(3) 0.51433(18) 0.0280(12) Uani 1 d . .
C52 C 0.7343(3) 1.0167(4) 0.5421(2) 0.0426(15) Uani 1 d . .
H56 H 0.722 1.0748 0.5444 0.064 Uiso 1 calc . .
H57 H 0.7339 0.9899 0.5729 0.064 Uiso 1 calc . .
H58 H 0.7069 0.9877 0.5191 0.064 Uiso 1 calc . .
C53 C 0.8940(3) 1.1604(4) 0.4582(2) 0.0538(19) Uani 1 d . .
H59 H 0.8601 1.1906 0.4429 0.081 Uiso 1 calc . .
H60 H 0.9195 1.1421 0.4344 0.081 Uiso 1 calc . .
H61 H 0.9162 1.197 0.4808 0.081 Uiso 1 calc . .
C54 C 0.9300(3) 0.8657(4) 0.5189(2) 0.0432(15) Uani 1 d . .
H62 H 0.9114 0.819 0.5011 0.065 Uiso 1 calc . .
H63 H 0.9374 0.8502 0.552 0.065 Uiso 1 calc . .
H64 H 0.9673 0.8795 0.5063 0.065 Uiso 1 calc . .
C55 C 0.6741(2) 0.8394(3) 0.71205(18) 0.0293(12) Uani 1 d . .
C56 C 0.6695(3) 0.8006(4) 0.7570(2) 0.0344(13) Uani 1 d . .
C57 C 0.6417(3) 0.8429(4) 0.7926(2) 0.0463(17) Uani 1 d . .
H65 H 0.6386 0.8158 0.8217 0.056 Uiso 1 calc . .
C58 C 0.6183(3) 0.9242(5) 0.7860(2) 0.058(2) Uani 1 d . .
C59 C 0.6248(3) 0.9626(4) 0.7426(2) 0.0473(17) Uani 1 d . .
H66 H 0.6108 1.0177 0.7378 0.057 Uiso 1 calc . .
C60 C 0.6510(3) 0.9230(4) 0.70570(19) 0.0349(14) Uani 1 d . .
C61 C 0.6944(3) 0.7136(4) 0.7674(2) 0.0411(15) Uani 1 d . .
H67 H 0.6916 0.7003 0.8006 0.062 Uiso 1 calc . .
H68 H 0.7358 0.7118 0.7607 0.062 Uiso 1 calc . .
H69 H 0.6717 0.6729 0.7477 0.062 Uiso 1 calc . .
C62 C 0.5872(4) 0.9681(6) 0.8261(3) 0.098(4) Uani 1 d . .
H70 H 0.5955 1.0278 0.8256 0.147 Uiso 1 calc . .
H71 H 0.6022 0.9449 0.8566 0.147 Uiso 1 calc . .
H72 H 0.5446 0.959 0.821 0.147 Uiso 1 calc . .
C63 C 0.6544(3) 0.9719(3) 0.6598(2) 0.0418(15) Uani 1 d . .
H73 H 0.6222 0.9546 0.6368 0.063 Uiso 1 calc . .
H74 H 0.6923 0.9607 0.6473 0.063 Uiso 1 calc . .
H75 H 0.651 1.0314 0.6661 0.063 Uiso 1 calc . .
Li1 Li 0.7009(4) 0.8245(5) 0.5799(3) 0.032(2) Uani 1 d . .
Li2 Li 0.0875(6) 0.6892(7) 0.3997(4) 0.052(3) Uani 1 d . .
O1 O 0.0375(2) 0.7856(3) 0.38134(15) 0.0510(12) Uani 1 d . .
C64 C -0.0001(4) 0.7949(6) 0.3372(3) 0.077(3) Uani 1 d . .
H76 H -0.0364 0.7613 0.3379 0.093 Uiso 1 calc . .
H77 H 0.0211 0.7764 0.3103 0.093 Uiso 1 calc . .
C65 C -0.0153(4) 0.8878(5) 0.3327(3) 0.077(3) Uani 1 d . .
H78 H 0.0133 0.9174 0.3147 0.092 Uiso 1 calc . .
H79 H -0.0555 0.8959 0.3171 0.092 Uiso 1 calc . .
C66 C -0.0113(3) 0.9180(5) 0.3836(3) 0.063(2) Uani 1 d . .
H80 H -0.0487 0.9082 0.3978 0.076 Uiso 1 calc . .
H81 H -0.0014 0.9778 0.3857 0.076 Uiso 1 calc . .
C67 C 0.0385(3) 0.8651(4) 0.4074(2) 0.0530(18) Uani 1 d . .
H82 H 0.0769 0.8933 0.4061 0.064 Uiso 1 calc . .
H83 H 0.0321 0.8552 0.4408 0.064 Uiso 1 calc . .
O2 O 0.0727(2) 0.6504(3) 0.46229(16) 0.0522(12) Uani 1 d . .
C68 C 0.0152(3) 0.6429(5) 0.4803(3) 0.066(2) Uani 1 d . .
H84 H -0.008 0.5983 0.4634 0.079 Uiso 1 calc . .
H85 H -0.0069 0.6957 0.4758 0.079 Uiso 1 calc . .
C69 C 0.0249(4) 0.6227(5) 0.5313(3) 0.075(2) Uani 1 d . .
H86 H -0.0032 0.5796 0.5399 0.091 Uiso 1 calc . .
H87 H 0.0201 0.6728 0.5507 0.091 Uiso 1 calc . .
C70 C 0.0874(5) 0.5910(6) 0.5382(3) 0.094(3) Uani 1 d . .
H88 H 0.0876 0.5311 0.5461 0.113 Uiso 1 calc . .
H89 H 0.1096 0.6212 0.5644 0.113 Uiso 1 calc . .
C71 C 0.1160(4) 0.6048(6) 0.4929(3) 0.086(3) Uani 1 d . .
H90 H 0.1528 0.6374 0.4989 0.103 Uiso 1 calc . .
H91 H 0.1255 0.551 0.4785 0.103 Uiso 1 calc . .
O3 O 0.1698(2) 0.7172(3) 0.39598(19) 0.0582(13) Uani 1 d . .
C72 C 0.2180(4) 0.6555(6) 0.3976(4) 0.102(4) Uani 1 d . .
H92 H 0.2026 0.5999 0.3881 0.122 Uiso 1 calc . .
H93 H 0.2386 0.6519 0.4296 0.122 Uiso 1 calc . .
C73 C 0.2593(4) 0.6878(5) 0.3628(4) 0.096(3) Uani 1 d . .
H94 H 0.3006 0.6714 0.3725 0.115 Uiso 1 calc . .
H95 H 0.2479 0.666 0.3309 0.115 Uiso 1 calc . .
C74 C 0.2526(4) 0.7809(5) 0.3640(4) 0.084(3) Uani 1 d . .
H96 H 0.2582 0.8054 0.3329 0.101 Uiso 1 calc . .
H97 H 0.2815 0.8058 0.3879 0.101 Uiso 1 calc . .
C75 C 0.1893(3) 0.7950(4) 0.3767(3) 0.0526(18) Uani 1 d . .
H98 H 0.1885 0.84 0.4003 0.063 Uiso 1 calc . .
H99 H 0.1633 0.8107 0.3484 0.063 Uiso 1 calc . .
O4 O 0.0748(9) 0.5970(11) 0.3563(7) 0.054(4) Uani 0.629(19) d A 1
C76 C 0.0279(4) 0.5351(5) 0.3535(3) 0.069(2) Uani 0.629(19) d A 1
H100 H -0.0098 0.5616 0.3597 0.082 Uiso 0.629(19) calc A 1
H101 H 0.0371 0.4914 0.3773 0.082 Uiso 0.629(19) calc A 1
C77 C 0.0225(3) 0.4962(4) 0.3034(3) 0.064(2) Uani 0.629(19) d A 1
H102 H 0.0353 0.4374 0.3045 0.076 Uiso 0.629(19) calc A 1
H103 H -0.0186 0.4992 0.2889 0.076 Uiso 0.629(19) calc A 1
C78 C 0.0635(4) 0.5491(6) 0.2759(3) 0.080(3) Uani 0.629(19) d A 1
H104 H 0.0837 0.5144 0.2537 0.096 Uiso 0.629(19) calc A 1
H105 H 0.0411 0.5934 0.258 0.096 Uiso 0.629(19) calc A 1
C79 C 0.1076(6) 0.5863(8) 0.3132(4) 0.045(4) Uani 0.629(19) d A 1
H106 H 0.1417 0.5486 0.3199 0.054 Uiso 0.629(19) calc A 1
H107 H 0.1221 0.6405 0.3027 0.054 Uiso 0.629(19) calc A 1
O4A O 0.0554(18) 0.6145(17) 0.3446(10) 0.063(9) Uani 0.371(19) d A 2
C76A C 0.0279(4) 0.5351(5) 0.3535(3) 0.069(2) Uani 0.371(19) d A 2
H108 H -0.0112 0.5427 0.3653 0.082 Uiso 0.371(19) calc A 2
H109 H 0.0532 0.501 0.376 0.082 Uiso 0.371(19) calc A 2
C77A C 0.0225(3) 0.4962(4) 0.3034(3) 0.064(2) Uani 0.371(19) d A 2
H110 H 0.0353 0.4374 0.3045 0.076 Uiso 0.371(19) calc A 2
H111 H -0.0186 0.4992 0.2889 0.076 Uiso 0.371(19) calc A 2
C78A C 0.0635(4) 0.5491(6) 0.2759(3) 0.080(3) Uani 0.371(19) d A 2
H112 H 0.1032 0.5239 0.277 0.096 Uiso 0.371(19) calc A 2
H113 H 0.0475 0.5548 0.2427 0.096 Uiso 0.371(19) calc A 2
C79A C 0.0658(13) 0.6233(13) 0.2975(7) 0.059(8) Uani 0.371(19) d A 2
H114 H 0.0358 0.6608 0.2815 0.071 Uiso 0.371(19) calc A 2
H115 H 0.1051 0.6486 0.2954 0.071 Uiso 0.371(19) calc A 2
Li3 Li 0.3503(6) 0.8717(8) 0.6624(4) 0.061(3) Uani 1 d . .
O5 O 0.3457(2) 0.8022(3) 0.60634(17) 0.0613(13) Uani 1 d . .
C80 C 0.3353(5) 0.7142(5) 0.6053(3) 0.087(3) Uani 1 d . .
H116 H 0.3079 0.6978 0.6286 0.104 Uiso 1 calc . .
H117 H 0.3726 0.6829 0.6116 0.104 Uiso 1 calc . .
C81 C 0.3072(6) 0.6993(7) 0.5538(4) 0.112(4) Uani 1 d . .
H118 H 0.3116 0.6407 0.5442 0.135 Uiso 1 calc . .
H119 H 0.2649 0.7143 0.5505 0.135 Uiso 1 calc . .
C82 C 0.3422(5) 0.7562(6) 0.5260(3) 0.100(3) Uani 1 d . .
H120 H 0.3183 0.7762 0.4976 0.12 Uiso 1 calc . .
H121 H 0.3777 0.7277 0.5164 0.12 Uiso 1 calc . .
C83 C 0.3592(5) 0.8268(6) 0.5587(3) 0.084(3) Uani 1 d . .
H122 H 0.4018 0.8391 0.5585 0.101 Uiso 1 calc . .
H123 H 0.3367 0.8773 0.5485 0.101 Uiso 1 calc . .
O6 O 0.3933(4) 0.9724(6) 0.6442(3) 0.065(2) Uani 0.717(9) d B 1
C84 C 0.4488(6) 0.9836(9) 0.6246(5) 0.090(4) Uani 0.717(9) d B 1
H124 H 0.469 0.9293 0.6236 0.108 Uiso 0.717(9) calc B 1
H125 H 0.4413 1.0042 0.5919 0.108 Uiso 0.717(9) calc B 1
C85 C 0.4856(7) 1.0401(14) 0.6509(6) 0.114(6) Uani 0.717(9) d B 1
H126 H 0.5155 1.0647 0.6321 0.136 Uiso 0.717(9) calc B 1
H127 H 0.5052 1.0143 0.6797 0.136 Uiso 0.717(9) calc B 1
C86 C 0.4359(9) 1.1073(8) 0.6628(10) 0.107(7) Uani 0.717(9) d B 1
H128 H 0.4465 1.1352 0.6933 0.129 Uiso 0.717(9) calc B 1
H129 H 0.4294 1.1497 0.6378 0.129 Uiso 0.717(9) calc B 1
C87 C 0.3824(4) 1.0509(5) 0.6647(3) 0.086(3) Uani 0.717(9) d B 1
H130 H 0.3739 1.0432 0.6978 0.104 Uiso 0.717(9) calc B 1
H131 H 0.3475 1.0772 0.6474 0.104 Uiso 0.717(9) calc B 1
O6A O 0.4012(12) 0.9628(16) 0.6710(9) 0.065(2) Uani 0.283(9) d B 2
C84A C 0.4594(14) 0.960(2) 0.6939(12) 0.090(4) Uani 0.283(9) d B 2
H132 H 0.4831 0.9157 0.681 0.108 Uiso 0.283(9) calc B 2
H133 H 0.4589 0.9521 0.7282 0.108 Uiso 0.283(9) calc B 2
C85A C 0.4832(18) 1.046(4) 0.6829(15) 0.114(6) Uani 0.283(9) d B 2
H134 H 0.4881 1.0804 0.7118 0.136 Uiso 0.283(9) calc B 2
H135 H 0.522 1.0411 0.6702 0.136 Uiso 0.283(9) calc B 2
C86A C 0.448(3) 1.079(3) 0.654(3) 0.107(7) Uani 0.283(9) d B 2
H136 H 0.4554 1.0613 0.6218 0.129 Uiso 0.283(9) calc B 2
H137 H 0.4515 1.1402 0.6558 0.129 Uiso 0.283(9) calc B 2
C87A C 0.3824(4) 1.0509(5) 0.6647(3) 0.086(3) Uani 0.283(9) d B 2
H138 H 0.3695 1.0763 0.6936 0.104 Uiso 0.283(9) calc B 2
H139 H 0.3524 1.0595 0.6378 0.104 Uiso 0.283(9) calc B 2
O7 O 0.3957(7) 0.8334(9) 0.7212(6) 0.082(4) Uani 0.563(8) d B 1
C88 C 0.4489(6) 0.8578(8) 0.7474(5) 0.057(3) Uani 0.563(8) d B 1
H140 H 0.445 0.9151 0.7594 0.068 Uiso 0.563(8) calc B 1
H141 H 0.4818 0.8569 0.7271 0.068 Uiso 0.563(8) calc B 1
C89 C 0.4611(8) 0.8003(9) 0.7867(5) 0.065(4) Uani 0.563(8) d B 1
H142 H 0.5036 0.786 0.7907 0.078 Uiso 0.563(8) calc B 1
H143 H 0.4499 0.8252 0.8162 0.078 Uiso 0.563(8) calc B 1
C90 C 0.4272(10) 0.7298(14) 0.7749(6) 0.190(8) Uani 0.563(8) d B 1
H144 H 0.4136 0.7043 0.8035 0.228 Uiso 0.563(8) calc B 1
H145 H 0.4507 0.6882 0.7592 0.228 Uiso 0.563(8) calc B 1
C91 C 0.3763(13) 0.7572(18) 0.7428(11) 0.144(8) Uani 0.563(8) d B 1
H146 H 0.3655 0.7144 0.7187 0.172 Uiso 0.563(8) calc B 1
H147 H 0.3417 0.7681 0.7605 0.172 Uiso 0.563(8) calc B 1
O7A O 0.3699(11) 0.7990(12) 0.7182(8) 0.082(4) Uani 0.437(8) d B 2
C88A C 0.4009(8) 0.7194(10) 0.7193(6) 0.057(3) Uani 0.437(8) d B 2
H148 H 0.4321 0.7174 0.6974 0.068 Uiso 0.437(8) calc B 2
H149 H 0.374 0.6714 0.7139 0.068 Uiso 0.437(8) calc B 2
C89A C 0.4272(10) 0.7298(14) 0.7749(6) 0.190(8) Uani 0.437(8) d B 2
H150 H 0.4337 0.6737 0.7887 0.228 Uiso 0.437(8) calc B 2
H151 H 0.466 0.7577 0.776 0.228 Uiso 0.437(8) calc B 2
C90A C 0.398(2) 0.767(3) 0.7979(10) 0.160(19) Uani 0.437(8) d B 2
H152 H 0.4216 0.8053 0.8188 0.193 Uiso 0.437(8) calc B 2
H153 H 0.3763 0.7285 0.8175 0.193 Uiso 0.437(8) calc B 2
C91A C 0.3554(16) 0.814(2) 0.7647(12) 0.144(8) Uani 0.437(8) d B 2
H154 H 0.3146 0.7949 0.768 0.172 Uiso 0.437(8) calc B 2
H155 H 0.358 0.8737 0.7719 0.172 Uiso 0.437(8) calc B 2
O8 O 0.2685(11) 0.8910(10) 0.6749(7) 0.053(3) Uani 0.581(14) d B 1
C92 C 0.2491(11) 0.9301(13) 0.7162(8) 0.089(6) Uani 0.581(14) d B 1
H156 H 0.2827 0.952 0.737 0.107 Uiso 0.581(14) calc B 1
H157 H 0.2258 0.8916 0.7341 0.107 Uiso 0.581(14) calc B 1
C93 C 0.2052(12) 1.0106(16) 0.6901(8) 0.081(5) Uani 0.581(14) d B 1
H158 H 0.1798 1.0386 0.7116 0.097 Uiso 0.581(14) calc B 1
H159 H 0.2269 1.0513 0.6722 0.097 Uiso 0.581(14) calc B 1
C94 C 0.1723(14) 0.9373(11) 0.6578(12) 0.087(6) Uani 0.581(14) d B 1
H160 H 0.1521 0.897 0.6771 0.104 Uiso 0.581(14) calc B 1
H161 H 0.1437 0.9602 0.6329 0.104 Uiso 0.581(14) calc B 1
C95 C 0.224(2) 0.9002(16) 0.6382(15) 0.061(5) Uani 0.581(14) d B 1
H162 H 0.2134 0.8454 0.624 0.073 Uiso 0.581(14) calc B 1
H163 H 0.2376 0.9367 0.6135 0.073 Uiso 0.581(14) calc B 1
O8A O 0.2725(16) 0.9242(13) 0.6686(11) 0.053(3) Uani 0.419(14) d B 2
C92A C 0.2507(16) 0.9814(19) 0.7062(12) 0.089(6) Uani 0.419(14) d B 2
H164 H 0.2722 0.9675 0.7369 0.107 Uiso 0.419(14) calc B 2
H165 H 0.2604 1.0395 0.6986 0.107 Uiso 0.419(14) calc B 2
C93A C 0.1975(17) 0.977(2) 0.7100(11) 0.081(5) Uani 0.419(14) d B 2
H166 H 0.1826 1.0259 0.7261 0.097 Uiso 0.419(14) calc B 2
H167 H 0.187 0.9255 0.7265 0.097 Uiso 0.419(14) calc B 2
C94A C 0.173(2) 0.9747(16) 0.6522(18) 0.087(6) Uani 0.419(14) d B 2
H168 H 0.1356 0.9441 0.6467 0.104 Uiso 0.419(14) calc B 2
H169 H 0.1683 1.0314 0.6391 0.104 Uiso 0.419(14) calc B 2
C95A C 0.225(4) 0.927(3) 0.631(2) 0.061(5) Uani 0.419(14) d B 2
H170 H 0.2126 0.8704 0.6207 0.073 Uiso 0.419(14) calc B 2
H171 H 0.2377 0.9574 0.6032 0.073 Uiso 0.419(14) calc B 2
O9 O 0.1506(6) 0.7191(5) 0.7439(3) 0.056(3) Uani 0.5 d . .
C96 C 0.1170(6) 0.6527(7) 0.7342(4) 0.038(3) Uani 0.5 d . .
H172 H 0.0748 0.6683 0.7333 0.045 Uiso 0.5 calc . .
H173 H 0.1253 0.61 0.7589 0.045 Uiso 0.5 calc . .
C97 C 0.1297(7) 0.6191(8) 0.6881(5) 0.052(4) Uani 0.5 d . .
H174 H 0.1265 0.5578 0.6874 0.063 Uiso 0.5 calc . .
H175 H 0.1025 0.6426 0.6624 0.063 Uiso 0.5 calc . .
C98 C 0.1863(10) 0.6440(13) 0.6843(8) 0.113(8) Uani 0.5 d . .
H176 H 0.1897 0.6751 0.6548 0.136 Uiso 0.5 calc . .
H177 H 0.2137 0.5963 0.6859 0.136 Uiso 0.5 calc . .
C99 C 0.1967(12) 0.6968(15) 0.7248(9) 0.125(10) Uani 0.5 d . .
H178 H 0.2234 0.6675 0.7486 0.149 Uiso 0.5 calc . .
H179 H 0.2174 0.7474 0.7154 0.149 Uiso 0.5 calc . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
31 -2 1 0.1081
-30 -6 -3 0.0814
-8 -18 -20 0.1364
-10 -18 20 0.1534
-3 -2 39 0.171
9 14 -29 0.1414
-3 -22 -7 0.1554
-30 -4 -3 0.0824
31 -4 0 0.111
-6 -21 -7 0.1584
31 -1 1 0.1137
-30 -4 -3 0.0852
-10 -19 18 0.1495
-7 -17 -23 0.1365
9 14 -29 0.1346
-4 -3 39 0.169
-10 -19 18 0.1495
-7 -18 -21 0.1546
8 13 -31 0.14
-5 -5 39 0.1541
-10 -19 18 0.1508
-8 -18 -20 0.1416
9 15 -28 0.1346
-3 -1 39 0.1692
6 -22 -7 0.1307
-31 -4 -3 0.0697
31 0 2 0.1032
-6 -21 -7 0.1582
31 -2 1 0.0823
-31 -4 -3 0.0726
0 -22 -7 0.1493
31 -1 1 0.1083
7 21 7 0.3455
-31 -1 -2 0.0743
-3 -22 -7 0.1547
-31 -3 -3 0.0704
7 21 7 0.3432
30 -6 0 0.1086
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
C11 Dy1 C10 30.03(19) . .
C11 Dy1 C7 30.90(19) . .
C10 Dy1 C7 50.5(2) . .
C11 Dy1 C3 78.1(2) . .
C10 Dy1 C3 89.3(2) . .
C7 Dy1 C3 100.6(2) . .
C11 Dy1 C4 107.68(19) . .
C10 Dy1 C4 112.1(2) . .
C7 Dy1 C4 130.2(2) . .
C3 Dy1 C4 30.15(18) . .
C11 Dy1 C8 50.19(19) . .
C10 Dy1 C8 49.8(2) . .
C7 Dy1 C8 30.72(18) . .
C3 Dy1 C8 128.0(2) . .
C4 Dy1 C8 157.87(18) . .
C11 Dy1 C9 49.8(2) . .
C10 Dy1 C9 30.3(2) . .
C7 Dy1 C9 50.28(19) . .
C3 Dy1 C9 119.5(2) . .
C4 Dy1 C9 139.44(19) . .
C8 Dy1 C9 29.83(18) . .
C11 Dy1 C5 122.62(19) . .
C10 Dy1 C5 138.9(2) . .
C7 Dy1 C5 129.01(18) . .
C3 Dy1 C5 49.69(18) . .
C4 Dy1 C5 30.17(16) . .
C8 Dy1 C5 155.53(18) . .
C9 Dy1 C5 168.92(19) . .
C11 Dy1 C2 73.9(2) . .
C10 Dy1 C2 97.5(2) . .
C7 Dy1 C2 83.7(2) . .
C3 Dy1 C2 30.15(17) . .
C4 Dy1 C2 49.58(19) . .
C8 Dy1 C2 114.38(19) . .
C9 Dy1 C2 123.6(2) . .
C5 Dy1 C2 49.31(18) . .
C11 Dy1 C1 100.0(2) . .
C10 Dy1 C1 126.5(2) . .
C7 Dy1 C1 99.23(19) . .
C3 Dy1 C1 49.48(18) . .
C4 Dy1 C1 49.62(17) . .
C8 Dy1 C1 126.26(18) . .
C9 Dy1 C1 148.23(19) . .
C5 Dy1 C1 30.03(17) . .
C2 Dy1 C1 29.56(17) . .
C11 Dy1 P3 118.56(15) . .
C10 Dy1 P3 88.94(15) . .
C7 Dy1 P3 131.90(13) . .
C3 Dy1 P3 103.74(13) . .
C4 Dy1 P3 84.44(13) . .
C8 Dy1 P3 105.49(13) . .
C9 Dy1 P3 81.62(14) . .
C5 Dy1 P3 98.02(12) . .
C2 Dy1 P3 132.57(14) . .
C1 Dy1 P3 128.02(13) . .
C11 Dy1 P1 129.63(15) . .
C10 Dy1 P1 133.31(16) . .
C7 Dy1 P1 98.79(16) . .
C3 Dy1 P1 135.11(14) . .
C4 Dy1 P1 114.49(13) . .
C8 Dy1 P1 85.30(14) . .
C9 Dy1 P1 104.00(15) . .
C5 Dy1 P1 87.07(12) . .
C2 Dy1 P1 114.86(13) . .
C1 Dy1 P1 87.67(13) . .
P3 Dy1 P1 92.32(4) . .
C22 Dy2 C23 30.68(19) . .
C22 Dy2 C21 30.04(18) . .
C23 Dy2 C21 50.4(2) . .
C22 Dy2 C15 143.95(19) . .
C23 Dy2 C15 124.7(2) . .
C21 Dy2 C15 173.99(19) . .
C22 Dy2 C20 49.5(2) . .
C23 Dy2 C20 49.88(19) . .
C21 Dy2 C20 30.2(2) . .
C15 Dy2 C20 151.7(2) . .
C22 Dy2 C16 133.7(2) . .
C23 Dy2 C16 104.4(2) . .
C21 Dy2 C16 148.8(2) . .
C15 Dy2 C16 30.59(19) . .
C20 Dy2 C16 121.6(2) . .
C22 Dy2 C19 50.3(2) . .
C23 Dy2 C19 30.47(19) . .
C21 Dy2 C19 50.5(2) . .
C15 Dy2 C19 127.9(2) . .
C20 Dy2 C19 30.4(2) . .
C16 Dy2 C19 98.3(2) . .
C22 Dy2 C14 115.68(19) . .
C23 Dy2 C14 106.24(19) . .
C21 Dy2 C14 144.5(2) . .
C15 Dy2 C14 29.89(18) . .
C20 Dy2 C14 154.9(2) . .
C16 Dy2 C14 49.7(2) . .
C19 Dy2 C14 125.2(2) . .
C22 Dy2 C17 104.4(2) . .
C23 Dy2 C17 77.0(2) . .
C21 Dy2 C17 126.8(2) . .
C15 Dy2 C17 49.3(2) . .
C20 Dy2 C17 110.5(2) . .
C16 Dy2 C17 29.9(2) . .
C19 Dy2 C17 80.9(2) . .
C14 Dy2 C17 48.7(2) . .
C22 Dy2 C13 95.4(2) . .
C23 Dy2 C13 78.2(2) . .
C21 Dy2 C13 125.0(2) . .
C15 Dy2 C13 49.1(2) . .
C20 Dy2 C13 125.3(2) . .
C16 Dy2 C13 49.1(2) . .
C19 Dy2 C13 95.7(2) . .
C14 Dy2 C13 29.65(18) . .
C17 Dy2 C13 29.0(2) . .
C22 Dy2 P1 84.93(15) . .
C23 Dy2 P1 113.66(14) . .
C21 Dy2 P1 83.32(17) . .
C15 Dy2 P1 96.78(14) . .
C20 Dy2 P1 110.70(19) . .
C16 Dy2 P1 127.37(15) . .
C19 Dy2 P1 132.55(17) . .
C14 Dy2 P1 84.61(14) . .
C17 Dy2 P1 132.12(15) . .
C13 Dy2 P1 104.54(16) . .
C22 Dy2 P2 126.50(14) . .
C23 Dy2 P2 130.12(14) . .
C21 Dy2 P2 96.58(14) . .
C15 Dy2 P2 89.41(14) . .
C20 Dy2 P2 82.32(13) . .
C16 Dy2 P2 87.67(16) . .
C19 Dy2 P2 100.69(16) . .
C14 Dy2 P2 117.45(13) . .
C17 Dy2 P2 114.67(18) . .
C13 Dy2 P2 135.67(16) . .
P1 Dy2 P2 93.99(4) . .
C28 Dy3 C29 30.6(2) . .
C28 Dy3 C27 30.1(2) . .
C29 Dy3 C27 49.8(2) . .
C28 Dy3 C26 49.7(2) . .
C29 Dy3 C26 49.4(2) . .
C27 Dy3 C26 30.0(2) . .
C28 Dy3 C34 141.1(2) . .
C29 Dy3 C34 121.6(2) . .
C27 Dy3 C34 170.9(2) . .
C26 Dy3 C34 149.8(2) . .
C28 Dy3 C33 127.0(2) . .
C29 Dy3 C33 98.6(2) . .
C27 Dy3 C33 144.7(2) . .
C26 Dy3 C33 120.1(2) . .
C34 Dy3 C33 30.43(18) . .
C28 Dy3 C25 50.9(2) . .
C29 Dy3 C25 30.5(2) . .
C27 Dy3 C25 50.5(2) . .
C26 Dy3 C25 30.42(19) . .
C34 Dy3 C25 124.55(19) . .
C33 Dy3 C25 94.4(2) . .
C28 Dy3 C35 114.8(2) . .
C29 Dy3 C35 106.9(2) . .
C27 Dy3 C35 143.5(2) . .
C26 Dy3 C35 155.5(2) . .
C34 Dy3 C35 29.90(18) . .
C33 Dy3 C35 49.52(19) . .
C25 Dy3 C35 126.2(2) . .
C28 Dy3 C32 98.4(2) . .
C29 Dy3 C32 72.8(2) . .
C27 Dy3 C32 122.6(2) . .
C26 Dy3 C32 110.1(2) . .
C34 Dy3 C32 49.14(19) . .
C33 Dy3 C32 29.75(19) . .
C25 Dy3 C32 79.8(2) . .
C35 Dy3 C32 48.55(19) . .
C28 Dy3 C31 91.4(2) . .
C29 Dy3 C31 77.5(2) . .
C27 Dy3 C31 121.4(2) . .
C26 Dy3 C31 125.8(2) . .
C34 Dy3 C31 49.7(2) . .
C33 Dy3 C31 49.7(2) . .
C25 Dy3 C31 97.4(2) . .
C35 Dy3 C31 29.81(18) . .
C32 Dy3 C31 29.58(19) . .
C28 Dy3 P3 129.01(19) . .
C29 Dy3 P3 129.72(18) . .
C27 Dy3 P3 99.15(19) . .
C26 Dy3 P3 83.37(15) . .
C34 Dy3 P3 89.18(15) . .
C33 Dy3 P3 90.50(15) . .
C25 Dy3 P3 99.87(16) . .
C35 Dy3 P3 115.99(14) . .
C32 Dy3 P3 118.38(15) . .
C31 Dy3 P3 137.71(14) . .
C28 Dy3 P2 89.91(17) . .
C29 Dy3 P2 119.27(17) . .
C27 Dy3 P2 86.14(15) . .
C26 Dy3 P2 111.85(15) . .
C34 Dy3 P2 97.49(14) . .
C33 Dy3 P2 127.87(15) . .
C25 Dy3 P2 136.38(14) . .
C35 Dy3 P2 83.99(14) . .
C32 Dy3 P2 130.82(14) . .
C31 Dy3 P2 102.46(14) . .
P3 Dy3 P2 90.95(4) . .
C37 P1 Li1 108.3(3) . .
C37 P1 Dy2 113.54(18) . .
Li1 P1 Dy2 76.9(2) . .
C37 P1 Dy1 112.55(18) . .
Li1 P1 Dy1 78.5(2) . .
Dy2 P1 Dy1 132.49(5) . .
C46 P2 Li1 120.9(3) . .
C46 P2 Dy3 116.44(16) . .
Li1 P2 Dy3 80.1(2) . .
C46 P2 Dy2 112.39(16) . .
Li1 P2 Dy2 77.7(2) . .
Dy3 P2 Dy2 131.08(5) . .
C55 P3 Li1 123.2(3) . .
C55 P3 Dy3 114.89(18) . .
Li1 P3 Dy3 80.5(2) . .
C55 P3 Dy1 109.76(18) . .
Li1 P3 Dy1 80.0(2) . .
Dy3 P3 Dy1 134.99(5) . .
C2 C1 C5 107.3(5) . .
C2 C1 C6 124.9(6) . .
C5 C1 C6 127.7(6) . .
C2 C1 Dy1 74.3(3) . .
C5 C1 Dy1 72.9(3) . .
C6 C1 Dy1 122.0(4) . .
C1 C2 C3 108.2(6) . .
C1 C2 Dy1 76.2(3) . .
C3 C2 Dy1 72.7(3) . .
C1 C2 H1 125.9 . .
C3 C2 H1 125.9 . .
Dy1 C2 H1 117.2 . .
C4 C3 C2 108.4(6) . .
C4 C3 Dy1 75.4(3) . .
C2 C3 Dy1 77.1(3) . .
C4 C3 H2 125.8 . .
C2 C3 H2 125.8 . .
Dy1 C3 H2 113.9 . .
C3 C4 C5 107.7(5) . .
C3 C4 Dy1 74.4(3) . .
C5 C4 Dy1 75.5(3) . .
C3 C4 H3 126.1 . .
C5 C4 H3 126.1 . .
Dy1 C4 H3 116.1 . .
C4 C5 C1 108.3(5) . .
C4 C5 Dy1 74.3(3) . .
C1 C5 Dy1 77.1(3) . .
C4 C5 H4 125.8 . .
C1 C5 H4 125.8 . .
Dy1 C5 H4 115 . .
C1 C6 H5 109.5 . .
C1 C6 H6 109.5 . .
H5 C6 H6 109.5 . .
C1 C6 H7 109.5 . .
H5 C6 H7 109.5 . .
H6 C6 H7 109.5 . .
C11 C7 C8 106.2(6) . .
C11 C7 C12 128.6(6) . .
C8 C7 C12 125.3(7) . .
C11 C7 Dy1 74.2(3) . .
C8 C7 Dy1 75.7(3) . .
C12 C7 Dy1 116.1(4) . .
C9 C8 C7 108.5(6) . .
C9 C8 Dy1 75.1(3) . .
C7 C8 Dy1 73.6(3) . .
C9 C8 H8 125.8 . .
C7 C8 H8 125.8 . .
Dy1 C8 H8 117.5 . .
C8 C9 C10 108.1(6) . .
C8 C9 Dy1 75.0(3) . .
C10 C9 Dy1 73.6(4) . .
C8 C9 H9 125.9 . .
C10 C9 H9 125.9 . .
Dy1 C9 H9 117.4 . .
C11 C10 C9 108.6(6) . .
C11 C10 Dy1 74.8(4) . .
C9 C10 Dy1 76.1(4) . .
C11 C10 H10 125.7 . .
C9 C10 H10 125.7 . .
Dy1 C10 H10 115.5 . .
C10 C11 C7 108.6(6) . .
C10 C11 Dy1 75.2(4) . .
C7 C11 Dy1 74.9(3) . .
C10 C11 H11 125.7 . .
C7 C11 H11 125.7 . .
Dy1 C11 H11 116.3 . .
C7 C12 H12 109.5 . .
C7 C12 H13 109.5 . .
H12 C12 H13 109.5 . .
C7 C12 H14 109.5 . .
H12 C12 H14 109.5 . .
H13 C12 H14 109.5 . .
C17 C13 C14 107.8(6) . .
C17 C13 C18 128.1(7) . .
C14 C13 C18 124.0(7) . .
C17 C13 Dy2 74.3(4) . .
C14 C13 Dy2 73.5(3) . .
C18 C13 Dy2 120.8(5) . .
C15 C14 C13 108.1(6) . .
C15 C14 Dy2 73.3(3) . .
C13 C14 Dy2 76.9(4) . .
C15 C14 H15 125.9 . .
C13 C14 H15 125.9 . .
Dy2 C14 H15 116 . .
C14 C15 C16 108.0(6) . .
C14 C15 Dy2 76.8(3) . .
C16 C15 Dy2 75.1(3) . .
C14 C15 H16 126 . .
C16 C15 H16 126 . .
Dy2 C15 H16 114.4 . .
C17 C16 C15 106.7(6) . .
C17 C16 Dy2 76.9(4) . .
C15 C16 Dy2 74.3(3) . .
C17 C16 H17 126.6 . .
C15 C16 H17 126.6 . .
Dy2 C16 H17 114.6 . .
C13 C17 C16 109.4(6) . .
C13 C17 Dy2 76.7(4) . .
C16 C17 Dy2 73.2(4) . .
C13 C17 H18 125.3 . .
C16 C17 H18 125.3 . .
Dy2 C17 H18 116.7 . .
C13 C18 H19 109.5 . .
C13 C18 H20 109.5 . .
H19 C18 H20 109.5 . .
C13 C18 H21 109.5 . .
H19 C18 H21 109.5 . .
H20 C18 H21 109.5 . .
C23 C19 C20 106.3(6) . .
C23 C19 C24 126.1(8) . .
C20 C19 C24 127.6(8) . .
C23 C19 Dy2 73.2(3) . .
C20 C19 Dy2 74.5(3) . .
C24 C19 Dy2 120.0(5) . .
C21 C20 C19 109.5(6) . .
C21 C20 Dy2 74.4(3) . .
C19 C20 Dy2 75.2(4) . .
C21 C20 H22 125.3 . .
C19 C20 H22 125.3 . .
Dy2 C20 H22 117 . .
C22 C21 C20 106.9(7) . .
C22 C21 Dy2 73.2(3) . .
C20 C21 Dy2 75.4(4) . .
C22 C21 H23 126.6 . .
C20 C21 H23 126.6 . .
Dy2 C21 H23 117 . .
C21 C22 C23 109.7(6) . .
C21 C22 Dy2 76.8(4) . .
C23 C22 Dy2 75.6(3) . .
C21 C22 H24 125.1 . .
C23 C22 H24 125.1 . .
Dy2 C22 H24 114.5 . .
C22 C23 C19 107.7(6) . .
C22 C23 Dy2 73.7(3) . .
C19 C23 Dy2 76.4(3) . .
C22 C23 H25 126.2 . .
C19 C23 H25 126.2 . .
Dy2 C23 H25 116 . .
C19 C24 H26 109.5 . .
C19 C24 H27 109.5 . .
H26 C24 H27 109.5 . .
C19 C24 H28 109.5 . .
H26 C24 H28 109.5 . .
H27 C24 H28 109.5 . .
C29 C25 C26 104.8(6) . .
C29 C25 C30 128.5(7) . .
C26 C25 C30 126.6(7) . .
C29 C25 Dy3 73.6(4) . .
C26 C25 Dy3 74.2(3) . .
C30 C25 Dy3 117.4(4) . .
C27 C26 C25 109.9(7) . .
C27 C26 Dy3 74.4(4) . .
C25 C26 Dy3 75.4(4) . .
C27 C26 H29 125 . .
C25 C26 H29 125 . .
Dy3 C26 H29 117 . .
C28 C27 C26 108.0(6) . .
C28 C27 Dy3 73.9(4) . .
C26 C27 Dy3 75.5(3) . .
C28 C27 H30 126 . .
C26 C27 H30 126 . .
Dy3 C27 H30 116.6 . .
C27 C28 C29 107.9(7) . .
C27 C28 Dy3 76.0(4) . .
C29 C28 Dy3 75.7(4) . .
C27 C28 H31 126.1 . .
C29 C28 H31 126.1 . .
Dy3 C28 H31 114.5 . .
C28 C29 C25 109.4(7) . .
C28 C29 Dy3 73.7(4) . .
C25 C29 Dy3 75.9(4) . .
C28 C29 H32 125.3 . .
C25 C29 H32 125.3 . .
Dy3 C29 H32 116.9 . .
C25 C30 H33 109.5 . .
C25 C30 H34 109.5 . .
H33 C30 H34 109.5 . .
C25 C30 H35 109.5 . .
H33 C30 H35 109.5 . .
H34 C30 H35 109.5 . .
C32 C31 C35 105.9(6) . .
C32 C31 C36 128.1(6) . .
C35 C31 C36 125.8(6) . .
C32 C31 Dy3 74.7(3) . .
C35 C31 Dy3 73.6(3) . .
C36 C31 Dy3 120.1(4) . .
C33 C32 C31 110.1(6) . .
C33 C32 Dy3 73.6(3) . .
C31 C32 Dy3 75.7(3) . .
C33 C32 H36 125 . .
C31 C32 H36 125 . .
Dy3 C32 H36 117.5 . .
C32 C33 C34 106.8(6) . .
C32 C33 Dy3 76.6(3) . .
C34 C33 Dy3 74.2(3) . .
C32 C33 H37 126.6 . .
C34 C33 H37 126.6 . .
Dy3 C33 H37 114.9 . .
C35 C34 C33 107.7(6) . .
C35 C34 Dy3 76.1(3) . .
C33 C34 Dy3 75.3(3) . .
C35 C34 H38 126.1 . .
C33 C34 H38 126.1 . .
Dy3 C34 H38 114.7 . .
C34 C35 C31 109.5(6) . .
C34 C35 Dy3 74.0(3) . .
C31 C35 Dy3 76.6(3) . .
C34 C35 H39 125.2 . .
C31 C35 H39 125.2 . .
Dy3 C35 H39 116 . .
C31 C36 H40 109.5 . .
C31 C36 H41 109.5 . .
H40 C36 H41 109.5 . .
C31 C36 H42 109.5 . .
H40 C36 H42 109.5 . .
H41 C36 H42 109.5 . .
C38 C37 C42 116.7(5) . .
C38 C37 P1 119.8(4) . .
C42 C37 P1 123.4(4) . .
C39 C38 C37 120.0(5) . .
C39 C38 C43 118.9(5) . .
C37 C38 C43 121.1(5) . .
C40 C39 C38 123.1(6) . .
C40 C39 H43 118.5 . .
C38 C39 H43 118.5 . .
C39 C40 C41 116.8(6) . .
C39 C40 C44 121.7(7) . .
C41 C40 C44 121.5(6) . .
C40 C41 C42 123.2(6) . .
C40 C41 H44 118.4 . .
C42 C41 H44 118.4 . .
C41 C42 C37 120.2(5) . .
C41 C42 C45 118.9(5) . .
C37 C42 C45 120.9(5) . .
C38 C43 H45 109.5 . .
C38 C43 H46 109.5 . .
H45 C43 H46 109.5 . .
C38 C43 H47 109.5 . .
H45 C43 H47 109.5 . .
H46 C43 H47 109.5 . .
C40 C44 H48 109.5 . .
C40 C44 H49 109.5 . .
H48 C44 H49 109.5 . .
C40 C44 H50 109.5 . .
H48 C44 H50 109.5 . .
H49 C44 H50 109.5 . .
C42 C45 H51 109.5 . .
C42 C45 H52 109.5 . .
H51 C45 H52 109.5 . .
C42 C45 H53 109.5 . .
H51 C45 H53 109.5 . .
H52 C45 H53 109.5 . .
C47 C46 C51 116.4(5) . .
C47 C46 P2 124.4(4) . .
C51 C46 P2 119.1(4) . .
C48 C47 C46 121.1(5) . .
C48 C47 C52 117.9(5) . .
C46 C47 C52 120.9(5) . .
C49 C48 C47 122.4(6) . .
C49 C48 H54 118.8 . .
C47 C48 H54 118.8 . .
C48 C49 C50 117.3(5) . .
C48 C49 C53 122.2(6) . .
C50 C49 C53 120.5(6) . .
C51 C50 C49 121.7(5) . .
C51 C50 H55 119.2 . .
C49 C50 H55 119.2 . .
C50 C51 C46 121.0(5) . .
C50 C51 C54 118.0(5) . .
C46 C51 C54 120.9(5) . .
C47 C52 H56 109.5 . .
C47 C52 H57 109.5 . .
H56 C52 H57 109.5 . .
C47 C52 H58 109.5 . .
H56 C52 H58 109.5 . .
H57 C52 H58 109.5 . .
C49 C53 H59 109.5 . .
C49 C53 H60 109.5 . .
H59 C53 H60 109.5 . .
C49 C53 H61 109.5 . .
H59 C53 H61 109.5 . .
H60 C53 H61 109.5 . .
C51 C54 H62 109.5 . .
C51 C54 H63 109.5 . .
H62 C54 H63 109.5 . .
C51 C54 H64 109.5 . .
H62 C54 H64 109.5 . .
H63 C54 H64 109.5 . .
C56 C55 C60 117.3(5) . .
C56 C55 P3 119.1(4) . .
C60 C55 P3 123.6(4) . .
C57 C56 C55 120.3(5) . .
C57 C56 C61 118.7(5) . .
C55 C56 C61 121.0(5) . .
C58 C57 C56 122.3(6) . .
C58 C57 H65 118.8 . .
C56 C57 H65 118.8 . .
C59 C58 C57 116.8(6) . .
C59 C58 C62 122.5(6) . .
C57 C58 C62 120.6(6) . .
C58 C59 C60 123.2(6) . .
C58 C59 H66 118.4 . .
C60 C59 H66 118.4 . .
C59 C60 C55 120.0(5) . .
C59 C60 C63 117.7(5) . .
C55 C60 C63 122.4(5) . .
C56 C61 H67 109.5 . .
C56 C61 H68 109.5 . .
H67 C61 H68 109.5 . .
C56 C61 H69 109.5 . .
H67 C61 H69 109.5 . .
H68 C61 H69 109.5 . .
C58 C62 H70 109.5 . .
C58 C62 H71 109.5 . .
H70 C62 H71 109.5 . .
C58 C62 H72 109.5 . .
H70 C62 H72 109.5 . .
H71 C62 H72 109.5 . .
C60 C63 H73 109.5 . .
C60 C63 H74 109.5 . .
H73 C63 H74 109.5 . .
C60 C63 H75 109.5 . .
H73 C63 H75 109.5 . .
H74 C63 H75 109.5 . .
P3 Li1 P2 107.1(3) . .
P3 Li1 P1 107.0(3) . .
P2 Li1 P1 109.6(4) . .
P3 Li1 Dy2 129.5(3) . .
P2 Li1 Dy2 55.78(19) . .
P1 Li1 Dy2 54.81(18) . .
P3 Li1 Dy1 54.19(18) . .
P2 Li1 Dy1 131.8(3) . .
P1 Li1 Dy1 54.03(17) . .
Dy2 Li1 Dy1 99.3(2) . .
P3 Li1 Dy3 53.78(17) . .
P2 Li1 Dy3 54.11(18) . .
P1 Li1 Dy3 129.6(3) . .
Dy2 Li1 Dy3 98.8(2) . .
Dy1 Li1 Dy3 98.6(2) . .
O3 Li2 O4 103.4(8) . .
O3 Li2 O2 112.0(7) . .
O4 Li2 O2 108.2(8) . .
O3 Li2 O1 109.9(6) . .
O4 Li2 O1 112.6(8) . .
O2 Li2 O1 110.6(6) . .
O3 Li2 O4A 111.7(13) . .
O2 Li2 O4A 115.7(11) . .
O1 Li2 O4A 95.8(10) . .
C64 O1 C67 109.0(5) . .
C64 O1 Li2 126.0(6) . .
C67 O1 Li2 124.5(5) . .
O1 C64 C65 106.3(6) . .
O1 C64 H76 110.5 . .
C65 C64 H76 110.5 . .
O1 C64 H77 110.5 . .
C65 C64 H77 110.5 . .
H76 C64 H77 108.7 . .
C66 C65 C64 103.7(6) . .
C66 C65 H78 111 . .
C64 C65 H78 111 . .
C66 C65 H79 111 . .
C64 C65 H79 111 . .
H78 C65 H79 109 . .
C65 C66 C67 102.9(6) . .
C65 C66 H80 111.2 . .
C67 C66 H80 111.2 . .
C65 C66 H81 111.2 . .
C67 C66 H81 111.2 . .
H80 C66 H81 109.1 . .
O1 C67 C66 106.3(6) . .
O1 C67 H82 110.5 . .
C66 C67 H82 110.5 . .
O1 C67 H83 110.5 . .
C66 C67 H83 110.5 . .
H82 C67 H83 108.7 . .
C71 O2 C68 109.2(6) . .
C71 O2 Li2 123.1(6) . .
C68 O2 Li2 126.0(6) . .
O2 C68 C69 107.8(7) . .
O2 C68 H84 110.1 . .
C69 C68 H84 110.1 . .
O2 C68 H85 110.1 . .
C69 C68 H85 110.1 . .
H84 C68 H85 108.5 . .
C68 C69 C70 104.8(7) . .
C68 C69 H86 110.8 . .
C70 C69 H86 110.8 . .
C68 C69 H87 110.8 . .
C70 C69 H87 110.8 . .
H86 C69 H87 108.9 . .
C69 C70 C71 108.2(7) . .
C69 C70 H88 110 . .
C71 C70 H88 110 . .
C69 C70 H89 110 . .
C71 C70 H89 110 . .
H88 C70 H89 108.4 . .
O2 C71 C70 105.3(7) . .
O2 C71 H90 110.7 . .
C70 C71 H90 110.7 . .
O2 C71 H91 110.7 . .
C70 C71 H91 110.7 . .
H90 C71 H91 108.8 . .
C75 O3 C72 109.7(5) . .
C75 O3 Li2 123.5(5) . .
C72 O3 Li2 124.1(6) . .
O3 C72 C73 104.7(6) . .
O3 C72 H92 110.8 . .
C73 C72 H92 110.8 . .
O3 C72 H93 110.8 . .
C73 C72 H93 110.8 . .
H92 C72 H93 108.9 . .
C74 C73 C72 104.8(7) . .
C74 C73 H94 110.8 . .
C72 C73 H94 110.8 . .
C74 C73 H95 110.8 . .
C72 C73 H95 110.8 . .
H94 C73 H95 108.9 . .
C73 C74 C75 104.6(7) . .
C73 C74 H96 110.8 . .
C75 C74 H96 110.8 . .
C73 C74 H97 110.8 . .
C75 C74 H97 110.8 . .
H96 C74 H97 108.9 . .
O3 C75 C74 106.8(6) . .
O3 C75 H98 110.4 . .
C74 C75 H98 110.4 . .
O3 C75 H99 110.4 . .
C74 C75 H99 110.4 . .
H98 C75 H99 108.6 . .
C76 O4 C79 107.0(13) . .
C76 O4 Li2 128.7(15) . .
C79 O4 Li2 123.6(13) . .
O4 C76 C77 108.8(10) . .
O4 C76 H100 109.9 . .
C77 C76 H100 109.9 . .
O4 C76 H101 109.9 . .
C77 C76 H101 109.9 . .
H100 C76 H101 108.3 . .
C78 C77 C76 104.2(6) . .
C78 C77 H102 110.9 . .
C76 C77 H102 110.9 . .
C78 C77 H103 110.9 . .
C76 C77 H103 110.9 . .
H102 C77 H103 108.9 . .
C79 C78 C77 104.8(7) . .
C79 C78 H104 110.8 . .
C77 C78 H104 110.8 . .
C79 C78 H105 110.8 . .
C77 C78 H105 110.8 . .
H104 C78 H105 108.9 . .
O4 C79 C78 105.8(10) . .
O4 C79 H106 110.6 . .
C78 C79 H106 110.6 . .
O4 C79 H107 110.6 . .
C78 C79 H107 110.6 . .
H106 C79 H107 108.7 . .
C79A O4A Li2 127(2) . .
O4A C79A H114 109.6 . .
O4A C79A H115 109.6 . .
H114 C79A H115 108.1 . .
O6A Li3 O5 122.8(11) . .
O5 Li3 O8 105.2(9) . .
O6A Li3 O7A 105.4(12) . .
O5 Li3 O7A 108.1(9) . .
O6A Li3 O8A 101.7(12) . .
O5 Li3 O8A 109.7(11) . .
O7A Li3 O8A 108.3(12) . .
O5 Li3 O6 104.1(7) . .
O8 Li3 O6 114.8(8) . .
O5 Li3 O7 120.0(8) . .
O8 Li3 O7 109.0(10) . .
O6 Li3 O7 104.1(8) . .
C80 O5 C83 107.1(6) . .
C80 O5 Li3 125.4(6) . .
C83 O5 Li3 127.2(6) . .
O5 C80 C81 102.9(7) . .
O5 C80 H116 111.2 . .
C81 C80 H116 111.2 . .
O5 C80 H117 111.2 . .
C81 C80 H117 111.2 . .
H116 C80 H117 109.1 . .
C82 C81 C80 102.3(8) . .
C82 C81 H118 111.3 . .
C80 C81 H118 111.3 . .
C82 C81 H119 111.3 . .
C80 C81 H119 111.3 . .
H118 C81 H119 109.2 . .
C81 C82 C83 104.7(8) . .
C81 C82 H120 110.8 . .
C83 C82 H120 110.8 . .
C81 C82 H121 110.8 . .
C83 C82 H121 110.8 . .
H120 C82 H121 108.9 . .
O5 C83 C82 107.9(7) . .
O5 C83 H122 110.1 . .
C82 C83 H122 110.1 . .
O5 C83 H123 110.1 . .
C82 C83 H123 110.1 . .
H122 C83 H123 108.4 . .
C87 O6 C84 103.9(10) . .
C87 O6 Li3 120.6(8) . .
C84 O6 Li3 132.5(9) . .
C85 C84 O6 111.9(13) . .
C85 C84 H124 109.2 . .
O6 C84 H124 109.2 . .
C85 C84 H125 109.2 . .
O6 C84 H125 109.2 . .
H124 C84 H125 107.9 . .
C84 C85 C86 98.7(14) . .
C84 C85 H126 112 . .
C86 C85 H126 112 . .
C84 C85 H127 112 . .
C86 C85 H127 112 . .
H126 C85 H127 109.7 . .
C87 C86 C85 100.7(10) . .
C87 C86 H128 111.6 . .
C85 C86 H128 111.6 . .
C87 C86 H129 111.6 . .
C85 C86 H129 111.6 . .
H128 C86 H129 109.4 . .
O6 C87 C86 110.1(11) . .
O6 C87 H130 109.6 . .
C86 C87 H130 109.6 . .
O6 C87 H131 109.6 . .
C86 C87 H131 109.6 . .
H130 C87 H131 108.1 . .
C84A O6A Li3 125(2) . .
O6A C84A C85A 102(3) . .
O6A C84A H132 111.3 . .
C85A C84A H132 111.3 . .
O6A C84A H133 111.3 . .
C85A C84A H133 111.3 . .
H132 C84A H133 109.2 . .
C86A C85A C84A 108(5) . .
C86A C85A H134 110.2 . .
C84A C85A H134 110.2 . .
C86A C85A H135 110.2 . .
C84A C85A H135 110.2 . .
H134 C85A H135 108.5 . .
C85A C86A H136 110 . .
C85A C86A H137 110 . .
H136 C86A H137 108.4 . .
C91 O7 C88 106.6(16) . .
C91 O7 Li3 117.7(17) . .
C88 O7 Li3 135.4(11) . .
O7 C88 C89 108.8(13) . .
O7 C88 H140 109.9 . .
C89 C88 H140 109.9 . .
O7 C88 H141 109.9 . .
C89 C88 H141 109.9 . .
H140 C88 H141 108.3 . .
C90 C89 C88 105.6(13) . .
C90 C89 H142 110.6 . .
C88 C89 H142 110.6 . .
C90 C89 H143 110.6 . .
C88 C89 H143 110.6 . .
H142 C89 H143 108.8 . .
C89 C90 C91 106.9(19) . .
C89 C90 H144 110.3 . .
C91 C90 H144 110.3 . .
C89 C90 H145 110.3 . .
C91 C90 H145 110.3 . .
H144 C90 H145 108.6 . .
O7 C91 C90 105(2) . .
O7 C91 H146 110.7 . .
C90 C91 H146 110.7 . .
O7 C91 H147 110.7 . .
C90 C91 H147 110.7 . .
H146 C91 H147 108.8 . .
C91A O7A C88A 106(2) . .
C91A O7A Li3 127(2) . .
C88A O7A Li3 127.1(17) . .
O7A C88A H148 113 . .
O7A C88A H149 113 . .
H148 C88A H149 110.4 . .
C91A C90A H152 110.5 . .
C91A C90A H153 110.5 . .
H152 C90A H153 108.7 . .
O7A C91A C90A 109(3) . .
O7A C91A H154 110 . .
C90A C91A H154 110 . .
O7A C91A H155 110 . .
C90A C91A H155 110 . .
H154 C91A H155 108.3 . .
C95 O8 C92 108(3) . .
C95 O8 Li3 121(3) . .
C92 O8 Li3 126.0(17) . .
O8 C92 C93 100.4(17) . .
O8 C92 H156 111.7 . .
C93 C92 H156 111.7 . .
O8 C92 H157 111.7 . .
C93 C92 H157 111.7 . .
H156 C92 H157 109.5 . .
C94 C93 C92 85.4(17) . .
C94 C93 H158 114.4 . .
C92 C93 H158 114.4 . .
C94 C93 H159 114.4 . .
C92 C93 H159 114.4 . .
H158 C93 H159 111.5 . .
C95 C94 C93 100(3) . .
C95 C94 H160 111.9 . .
C93 C94 H160 111.9 . .
C95 C94 H161 111.9 . .
C93 C94 H161 111.9 . .
H160 C94 H161 109.6 . .
O8 C95 C94 108(3) . .
O8 C95 H162 110.1 . .
C94 C95 H162 110.1 . .
O8 C95 H163 110.1 . .
C94 C95 H163 110.1 . .
H162 C95 H163 108.4 . .
C95A O8A C92A 104(4) . .
C95A O8A Li3 124(4) . .
C92A O8A Li3 132(2) . .
C93A C92A O8A 114(3) . .
C93A C92A H164 108.6 . .
O8A C92A H164 108.7 . .
C93A C92A H165 108.7 . .
O8A C92A H165 108.7 . .
H164 C92A H165 107.6 . .
C92A C93A C94A 98(3) . .
C92A C93A H166 112.1 . .
C94A C93A H166 112.1 . .
C92A C93A H167 112.1 . .
C94A C93A H167 112.1 . .
H166 C93A H167 109.7 . .
C95A C94A C93A 102(3) . .
C95A C94A H168 111.4 . .
C93A C94A H168 111.4 . .
C95A C94A H169 111.4 . .
C93A C94A H169 111.4 . .
H168 C94A H169 109.3 . .
O8A C95A C94A 105(5) . .
O8A C95A H170 110.8 . .
C94A C95A H170 110.8 . .
O8A C95A H171 110.8 . .
C94A C95A H171 110.8 . .
H170 C95A H171 108.9 . .
C99 O9 C96 99.6(12) . .
O9 C96 C97 108.9(11) . .
O9 C96 C99 39.3(9) . .
C97 C96 C99 75.7(11) . .
O9 C96 H172 109.9 . .
C97 C96 H172 109.9 . .
C99 C96 H172 143.2 . .
O9 C96 H173 109.9 . .
C97 C96 H173 109.9 . .
C99 C96 H173 103.1 . .
H172 C96 H173 108.3 . .
C98 C97 C96 103.2(14) . .
C98 C97 H174 111.1 . .
C96 C97 H174 111.1 . .
C98 C97 H175 111.1 . .
C96 C97 H175 111.1 . .
H174 C97 H175 109.1 . .
C97 C98 C99 101.4(16) . .
C97 C98 H176 111.5 . .
C99 C98 H176 111.5 . .
C97 C98 H177 111.5 . .
C99 C98 H177 111.5 . .
H176 C98 H177 109.3 . .
O9 C99 C98 115.3(19) . .
O9 C99 C96 41.1(8) . .
C98 C99 C96 79.2(12) . .
O9 C99 H178 108.5 . .
C98 C99 H178 108.5 . .
C96 C99 H178 104.3 . .
O9 C99 H179 108.5 . .
C98 C99 H179 108.5 . .
C96 C99 H179 142.5 . .
H178 C99 H179 107.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 C11 2.663(6) .
Dy1 C10 2.668(6) .
Dy1 C7 2.671(6) .
Dy1 C3 2.678(5) .
Dy1 C4 2.691(5) .
Dy1 C8 2.698(6) .
Dy1 C9 2.699(6) .
Dy1 C5 2.706(5) .
Dy1 C2 2.734(5) .
Dy1 C1 2.759(5) .
Dy1 P3 2.7973(14) .
Dy1 P1 2.8064(14) .
Dy2 C22 2.625(6) .
Dy2 C23 2.650(5) .
Dy2 C21 2.670(6) .
Dy2 C15 2.675(5) .
Dy2 C20 2.682(6) .
Dy2 C16 2.686(6) .
Dy2 C19 2.690(6) .
Dy2 C14 2.719(6) .
Dy2 C17 2.732(6) .
Dy2 C13 2.762(6) .
Dy2 P1 2.8007(15) .
Dy2 P2 2.8249(15) .
Dy3 C28 2.642(6) .
Dy3 C29 2.668(6) .
Dy3 C27 2.669(6) .
Dy3 C26 2.683(6) .
Dy3 C34 2.683(6) .
Dy3 C33 2.697(5) .
Dy3 C25 2.698(6) .
Dy3 C35 2.709(6) .
Dy3 C32 2.736(6) .
Dy3 C31 2.748(6) .
Dy3 P3 2.7850(15) .
Dy3 P2 2.7996(14) .
P1 C37 1.854(5) .
P1 Li1 2.557(9) .
P2 C46 1.849(5) .
P2 Li1 2.477(10) .
P3 C55 1.846(5) .
P3 Li1 2.472(9) .
C1 C2 1.401(8) .
C1 C5 1.417(8) .
C1 C6 1.504(8) .
C2 C3 1.409(8) .
C2 H1 0.93 .
C3 C4 1.397(8) .
C3 H2 0.93 .
C4 C5 1.405(7) .
C4 H3 0.93 .
C5 H4 0.93 .
C6 H5 0.96 .
C6 H6 0.96 .
C6 H7 0.96 .
C7 C11 1.421(9) .
C7 C8 1.422(8) .
C7 C12 1.488(9) .
C8 C9 1.389(9) .
C8 H8 0.93 .
C9 C10 1.401(9) .
C9 H9 0.93 .
C10 C11 1.381(9) .
C10 H10 0.93 .
C11 H11 0.93 .
C12 H12 0.96 .
C12 H13 0.96 .
C12 H14 0.96 .
C13 C17 1.378(10) .
C13 C14 1.403(9) .
C13 C18 1.536(10) .
C14 C15 1.392(8) .
C14 H15 0.93 .
C15 C16 1.414(9) .
C15 H16 0.93 .
C16 C17 1.398(10) .
C16 H17 0.93 .
C17 H18 0.93 .
C18 H19 0.96 .
C18 H20 0.96 .
C18 H21 0.96 .
C19 C23 1.404(9) .
C19 C20 1.407(10) .
C19 C24 1.500(11) .
C20 C21 1.392(10) .
C20 H22 0.93 .
C21 C22 1.373(8) .
C21 H23 0.93 .
C22 C23 1.396(9) .
C22 H24 0.93 .
C23 H25 0.93 .
C24 H26 0.96 .
C24 H27 0.96 .
C24 H28 0.96 .
C25 C29 1.412(10) .
C25 C26 1.412(9) .
C25 C30 1.496(9) .
C26 C27 1.387(9) .
C26 H29 0.93 .
C27 C28 1.380(10) .
C27 H30 0.93 .
C28 C29 1.400(10) .
C28 H31 0.93 .
C29 H32 0.93 .
C30 H33 0.96 .
C30 H34 0.96 .
C30 H35 0.96 .
C31 C32 1.400(9) .
C31 C35 1.404(8) .
C31 C36 1.513(9) .
C32 C33 1.395(9) .
C32 H36 0.93 .
C33 C34 1.412(8) .
C33 H37 0.93 .
C34 C35 1.391(9) .
C34 H38 0.93 .
C35 H39 0.93 .
C36 H40 0.96 .
C36 H41 0.96 .
C36 H42 0.96 .
C37 C38 1.414(7) .
C37 C42 1.418(8) .
C38 C39 1.404(8) .
C38 C43 1.497(8) .
C39 C40 1.369(9) .
C39 H43 0.93 .
C40 C41 1.374(9) .
C40 C44 1.527(9) .
C41 C42 1.393(8) .
C41 H44 0.93 .
C42 C45 1.490(8) .
C43 H45 0.96 .
C43 H46 0.96 .
C43 H47 0.96 .
C44 H48 0.96 .
C44 H49 0.96 .
C44 H50 0.96 .
C45 H51 0.96 .
C45 H52 0.96 .
C45 H53 0.96 .
C46 C47 1.412(7) .
C46 C51 1.417(7) .
C47 C48 1.388(7) .
C47 C52 1.503(8) .
C48 C49 1.378(8) .
C48 H54 0.93 .
C49 C50 1.396(8) .
C49 C53 1.500(8) .
C50 C51 1.394(7) .
C50 H55 0.93 .
C51 C54 1.496(8) .
C52 H56 0.96 .
C52 H57 0.96 .
C52 H58 0.96 .
C53 H59 0.96 .
C53 H60 0.96 .
C53 H61 0.96 .
C54 H62 0.96 .
C54 H63 0.96 .
C54 H64 0.96 .
C55 C56 1.410(7) .
C55 C60 1.421(7) .
C56 C57 1.392(8) .
C56 C61 1.500(8) .
C57 C58 1.390(9) .
C57 H65 0.93 .
C58 C59 1.379(9) .
C58 C62 1.536(9) .
C59 C60 1.382(8) .
C59 H66 0.93 .
C60 C63 1.506(7) .
C61 H67 0.96 .
C61 H68 0.96 .
C61 H69 0.96 .
C62 H70 0.96 .
C62 H71 0.96 .
C62 H72 0.96 .
C63 H73 0.96 .
C63 H74 0.96 .
C63 H75 0.96 .
Li2 O3 1.900(13) .
Li2 O4 1.90(2) .
Li2 O2 1.914(12) .
Li2 O1 1.928(13) .
Li2 O4A 2.02(3) .
O1 C64 1.434(8) .
O1 C67 1.449(7) .
C64 C65 1.507(11) .
C64 H76 0.97 .
C64 H77 0.97 .
C65 C66 1.495(11) .
C65 H78 0.97 .
C65 H79 0.97 .
C66 C67 1.496(9) .
C66 H80 0.97 .
C66 H81 0.97 .
C67 H82 0.97 .
C67 H83 0.97 .
O2 C71 1.425(8) .
O2 C68 1.427(8) .
C68 C69 1.458(10) .
C68 H84 0.97 .
C68 H85 0.97 .
C69 C70 1.477(12) .
C69 H86 0.97 .
C69 H87 0.97 .
C70 C71 1.489(11) .
C70 H88 0.97 .
C70 H89 0.97 .
C71 H90 0.97 .
C71 H91 0.97 .
O3 C75 1.425(7) .
O3 C72 1.449(8) .
C72 C73 1.492(11) .
C72 H92 0.97 .
C72 H93 0.97 .
C73 C74 1.475(11) .
C73 H94 0.97 .
C73 H95 0.97 .
C74 C75 1.505(10) .
C74 H96 0.97 .
C74 H97 0.97 .
C75 H98 0.97 .
C75 H99 0.97 .
O4 C76 1.43(2) .
O4 C79 1.48(2) .
C76 C77 1.525(10) .
C76 H100 0.97 .
C76 H101 0.97 .
C77 C78 1.502(11) .
C77 H102 0.97 .
C77 H103 0.97 .
C78 C79 1.487(12) .
C78 H104 0.97 .
C78 H105 0.97 .
C79 H106 0.97 .
C79 H107 0.97 .
O4A C79A 1.37(4) .
C79A H114 0.97 .
C79A H115 0.97 .
Li3 O6A 1.83(3) .
Li3 O5 1.909(13) .
Li3 O8 1.91(3) .
Li3 O7A 1.95(2) .
Li3 O8A 1.95(4) .
Li3 O6 1.947(16) .
Li3 O7 1.95(2) .
O5 C80 1.407(8) .
O5 C83 1.447(9) .
C80 C81 1.535(13) .
C80 H116 0.97 .
C80 H117 0.97 .
C81 C82 1.462(13) .
C81 H118 0.97 .
C81 H119 0.97 .
C82 C83 1.468(12) .
C82 H120 0.97 .
C82 H121 0.97 .
C83 H122 0.97 .
C83 H123 0.97 .
O6 C87 1.395(12) .
O6 C84 1.413(14) .
C84 C85 1.38(2) .
C84 H124 0.97 .
C84 H125 0.97 .
C85 C86 1.59(2) .
C85 H126 0.97 .
C85 H127 0.97 .
C86 C87 1.49(2) .
C86 H128 0.97 .
C86 H129 0.97 .
C87 H130 0.97 .
C87 H131 0.97 .
O6A C84A 1.40(4) .
C84A C85A 1.50(5) .
C84A H132 0.97 .
C84A H133 0.97 .
C85A C86A 1.20(7) .
C85A H134 0.97 .
C85A H135 0.97 .
C86A H136 0.97 .
C86A H137 0.97 .
O7 C91 1.43(3) .
O7 C88 1.39(2) .
C88 C89 1.431(17) .
C88 H140 0.97 .
C88 H141 0.97 .
C89 C90 1.37(2) .
C89 H142 0.97 .
C89 H143 0.97 .
C90 C91 1.45(3) .
C90 H144 0.97 .
C90 H145 0.97 .
C91 H146 0.97 .
C91 H147 0.97 .
O7A C91A 1.39(4) .
O7A C88A 1.43(3) .
C88A H148 0.97 .
C88A H149 0.97 .
C90A C91A 1.46(4) .
C90A H152 0.97 .
C90A H153 0.97 .
C91A H154 0.97 .
C91A H155 0.97 .
O8 C95 1.37(5) .
O8 C92 1.41(3) .
C92 C93 1.72(4) .
C92 H156 0.97 .
C92 H157 0.97 .
C93 C94 1.60(3) .
C93 H158 0.97 .
C93 H159 0.97 .
C94 C95 1.45(6) .
C94 H160 0.97 .
C94 H161 0.97 .
C95 H162 0.97 .
C95 H163 0.97 .
O8A C95A 1.43(8) .
O8A C92A 1.50(5) .
C92A C93A 1.20(5) .
C92A H164 0.97 .
C92A H165 0.97 .
C93A C94A 1.66(6) .
C93A H166 0.97 .
C93A H167 0.97 .
C94A C95A 1.54(9) .
C94A H168 0.97 .
C94A H169 0.97 .
C95A H170 0.97 .
C95A H171 0.97 .
O9 C99 1.25(3) .
O9 C96 1.301(15) .
C96 C97 1.448(16) .
C96 C99 1.95(2) .
C96 H172 0.97 .
C96 H173 0.97 .
C97 C98 1.34(2) .
C97 H174 0.97 .
C97 H175 0.97 .
C98 C99 1.41(3) .
C98 H176 0.97 .
C98 H177 0.97 .
C99 H178 0.97 .
C99 H179 0.97 .
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C5 C1 C2 C3 -0.3(6) . . . .
C6 C1 C2 C3 175.4(5) . . . .
Dy1 C1 C2 C3 -66.2(4) . . . .
C5 C1 C2 Dy1 65.9(4) . . . .
C6 C1 C2 Dy1 -118.3(6) . . . .
C1 C2 C3 C4 -1.1(7) . . . .
Dy1 C2 C3 C4 -69.6(4) . . . .
C1 C2 C3 Dy1 68.6(4) . . . .
C2 C3 C4 C5 2.0(6) . . . .
Dy1 C3 C4 C5 -68.8(4) . . . .
C2 C3 C4 Dy1 70.8(4) . . . .
C3 C4 C5 C1 -2.2(6) . . . .
Dy1 C4 C5 C1 -70.2(4) . . . .
C3 C4 C5 Dy1 68.0(4) . . . .
C2 C1 C5 C4 1.5(6) . . . .
C6 C1 C5 C4 -174.0(5) . . . .
Dy1 C1 C5 C4 68.4(4) . . . .
C2 C1 C5 Dy1 -66.9(4) . . . .
C6 C1 C5 Dy1 117.6(6) . . . .
C11 C7 C8 C9 0.9(7) . . . .
C12 C7 C8 C9 -179.7(6) . . . .
Dy1 C7 C8 C9 -67.6(4) . . . .
C11 C7 C8 Dy1 68.5(4) . . . .
C12 C7 C8 Dy1 -112.0(6) . . . .
C7 C8 C9 C10 -0.2(7) . . . .
Dy1 C8 C9 C10 -66.8(4) . . . .
C7 C8 C9 Dy1 66.6(4) . . . .
C8 C9 C10 C11 -0.7(7) . . . .
Dy1 C9 C10 C11 -68.4(5) . . . .
C8 C9 C10 Dy1 67.7(4) . . . .
C9 C10 C11 C7 1.2(7) . . . .
Dy1 C10 C11 C7 -68.1(4) . . . .
C9 C10 C11 Dy1 69.3(5) . . . .
C8 C7 C11 C10 -1.3(7) . . . .
C12 C7 C11 C10 179.3(6) . . . .
Dy1 C7 C11 C10 68.3(4) . . . .
C8 C7 C11 Dy1 -69.5(4) . . . .
C12 C7 C11 Dy1 111.0(7) . . . .
C17 C13 C14 C15 -0.3(7) . . . .
C18 C13 C14 C15 176.3(6) . . . .
Dy2 C13 C14 C15 -67.3(4) . . . .
C17 C13 C14 Dy2 67.0(5) . . . .
C18 C13 C14 Dy2 -116.4(7) . . . .
C13 C14 C15 C16 0.4(7) . . . .
Dy2 C14 C15 C16 -69.3(4) . . . .
C13 C14 C15 Dy2 69.7(4) . . . .
C14 C15 C16 C17 -0.3(7) . . . .
Dy2 C15 C16 C17 -70.7(4) . . . .
C14 C15 C16 Dy2 70.4(4) . . . .
C14 C13 C17 C16 0.1(7) . . . .
C18 C13 C17 C16 -176.4(7) . . . .
Dy2 C13 C17 C16 66.5(5) . . . .
C14 C13 C17 Dy2 -66.4(5) . . . .
C18 C13 C17 Dy2 117.1(7) . . . .
C15 C16 C17 C13 0.1(7) . . . .
Dy2 C16 C17 C13 -68.8(5) . . . .
C15 C16 C17 Dy2 68.9(4) . . . .
C23 C19 C20 C21 -0.4(7) . . . .
C24 C19 C20 C21 176.6(7) . . . .
Dy2 C19 C20 C21 -67.2(4) . . . .
C23 C19 C20 Dy2 66.8(4) . . . .
C24 C19 C20 Dy2 -116.2(7) . . . .
C19 C20 C21 C22 0.7(7) . . . .
Dy2 C20 C21 C22 -66.9(4) . . . .
C19 C20 C21 Dy2 67.6(4) . . . .
C20 C21 C22 C23 -0.7(7) . . . .
Dy2 C21 C22 C23 -69.2(4) . . . .
C20 C21 C22 Dy2 68.5(4) . . . .
C21 C22 C23 C19 0.5(7) . . . .
Dy2 C22 C23 C19 -69.5(4) . . . .
C21 C22 C23 Dy2 70.0(4) . . . .
C20 C19 C23 C22 -0.1(7) . . . .
C24 C19 C23 C22 -177.1(7) . . . .
Dy2 C19 C23 C22 67.6(4) . . . .
C20 C19 C23 Dy2 -67.7(4) . . . .
C24 C19 C23 Dy2 115.2(7) . . . .
C29 C25 C26 C27 0.7(7) . . . .
C30 C25 C26 C27 -179.7(6) . . . .
Dy3 C25 C26 C27 -67.1(4) . . . .
C29 C25 C26 Dy3 67.7(4) . . . .
C30 C25 C26 Dy3 -112.6(6) . . . .
C25 C26 C27 C28 0.3(7) . . . .
Dy3 C26 C27 C28 -67.3(5) . . . .
C25 C26 C27 Dy3 67.7(4) . . . .
C26 C27 C28 C29 -1.2(8) . . . .
Dy3 C27 C28 C29 -69.7(5) . . . .
C26 C27 C28 Dy3 68.5(4) . . . .
C27 C28 C29 C25 1.7(8) . . . .
Dy3 C28 C29 C25 -68.2(5) . . . .
C27 C28 C29 Dy3 69.9(5) . . . .
C26 C25 C29 C28 -1.4(7) . . . .
C30 C25 C29 C28 179.0(6) . . . .
Dy3 C25 C29 C28 66.8(5) . . . .
C26 C25 C29 Dy3 -68.2(4) . . . .
C30 C25 C29 Dy3 112.2(7) . . . .
C35 C31 C32 C33 -1.3(7) . . . .
C36 C31 C32 C33 -177.2(6) . . . .
Dy3 C31 C32 C33 66.2(4) . . . .
C35 C31 C32 Dy3 -67.5(4) . . . .
C36 C31 C32 Dy3 116.6(7) . . . .
C31 C32 C33 C34 1.1(7) . . . .
Dy3 C32 C33 C34 68.7(4) . . . .
C31 C32 C33 Dy3 -67.6(4) . . . .
C32 C33 C34 C35 -0.5(6) . . . .
Dy3 C33 C34 C35 69.8(4) . . . .
C32 C33 C34 Dy3 -70.4(4) . . . .
C33 C34 C35 C31 -0.2(7) . . . .
Dy3 C34 C35 C31 69.1(4) . . . .
C33 C34 C35 Dy3 -69.3(4) . . . .
C32 C31 C35 C34 0.9(7) . . . .
C36 C31 C35 C34 177.0(6) . . . .
Dy3 C31 C35 C34 -67.4(4) . . . .
C32 C31 C35 Dy3 68.3(4) . . . .
C36 C31 C35 Dy3 -115.6(6) . . . .
Li1 P1 C37 C38 174.0(5) . . . .
Dy2 P1 C37 C38 90.6(5) . . . .
Dy1 P1 C37 C38 -101.3(5) . . . .
Li1 P1 C37 C42 -8.8(6) . . . .
Dy2 P1 C37 C42 -92.2(5) . . . .
Dy1 P1 C37 C42 75.9(5) . . . .
C42 C37 C38 C39 -0.6(8) . . . .
P1 C37 C38 C39 176.8(4) . . . .
C42 C37 C38 C43 180.0(5) . . . .
P1 C37 C38 C43 -2.6(8) . . . .
C37 C38 C39 C40 -0.7(9) . . . .
C43 C38 C39 C40 178.7(6) . . . .
C38 C39 C40 C41 1.4(10) . . . .
C38 C39 C40 C44 -178.6(6) . . . .
C39 C40 C41 C42 -0.8(10) . . . .
C44 C40 C41 C42 179.2(6) . . . .
C40 C41 C42 C37 -0.5(10) . . . .
C40 C41 C42 C45 -179.0(6) . . . .
C38 C37 C42 C41 1.1(8) . . . .
P1 C37 C42 C41 -176.2(5) . . . .
C38 C37 C42 C45 179.6(6) . . . .
P1 C37 C42 C45 2.3(8) . . . .
Li1 P2 C46 C47 2.8(6) . . . .
Dy3 P2 C46 C47 -91.5(4) . . . .
Dy2 P2 C46 C47 91.6(4) . . . .
Li1 P2 C46 C51 -172.9(4) . . . .
Dy3 P2 C46 C51 92.9(4) . . . .
Dy2 P2 C46 C51 -84.1(4) . . . .
C51 C46 C47 C48 2.2(7) . . . .
P2 C46 C47 C48 -173.6(4) . . . .
C51 C46 C47 C52 177.9(5) . . . .
P2 C46 C47 C52 2.1(7) . . . .
C46 C47 C48 C49 0.4(8) . . . .
C52 C47 C48 C49 -175.4(5) . . . .
C47 C48 C49 C50 -2.1(8) . . . .
C47 C48 C49 C53 179.1(5) . . . .
C48 C49 C50 C51 1.2(8) . . . .
C53 C49 C50 C51 179.9(5) . . . .
C49 C50 C51 C46 1.4(8) . . . .
C49 C50 C51 C54 178.9(5) . . . .
C47 C46 C51 C50 -3.0(7) . . . .
P2 C46 C51 C50 172.9(4) . . . .
C47 C46 C51 C54 179.6(5) . . . .
P2 C46 C51 C54 -4.4(7) . . . .
Li1 P3 C55 C56 166.9(4) . . . .
Dy3 P3 C55 C56 -98.2(4) . . . .
Dy1 P3 C55 C56 76.0(5) . . . .
Li1 P3 C55 C60 -12.1(6) . . . .
Dy3 P3 C55 C60 82.9(5) . . . .
Dy1 P3 C55 C60 -102.9(5) . . . .
C60 C55 C56 C57 1.9(8) . . . .
P3 C55 C56 C57 -177.1(5) . . . .
C60 C55 C56 C61 -178.1(5) . . . .
P3 C55 C56 C61 2.9(8) . . . .
C55 C56 C57 C58 -1.0(10) . . . .
C61 C56 C57 C58 179.0(6) . . . .
C56 C57 C58 C59 -1.1(11) . . . .
C56 C57 C58 C62 179.3(7) . . . .
C57 C58 C59 C60 2.3(11) . . . .
C62 C58 C59 C60 -178.0(7) . . . .
C58 C59 C60 C55 -1.4(10) . . . .
C58 C59 C60 C63 179.1(7) . . . .
C56 C55 C60 C59 -0.8(8) . . . .
P3 C55 C60 C59 178.2(5) . . . .
C56 C55 C60 C63 178.7(5) . . . .
P3 C55 C60 C63 -2.3(8) . . . .
C67 O1 C64 C65 8.6(9) . . . .
Li2 O1 C64 C65 -163.6(7) . . . .
O1 C64 C65 C66 -26.9(9) . . . .
C64 C65 C66 C67 34.0(8) . . . .
C64 O1 C67 C66 13.2(8) . . . .
Li2 O1 C67 C66 -174.5(6) . . . .
C65 C66 C67 O1 -29.5(7) . . . .
C71 O2 C68 C69 22.6(9) . . . .
Li2 O2 C68 C69 -172.1(6) . . . .
O2 C68 C69 C70 -18.4(9) . . . .
C68 C69 C70 C71 8.0(11) . . . .
C68 O2 C71 C70 -16.9(10) . . . .
Li2 O2 C71 C70 177.3(7) . . . .
C69 C70 C71 O2 5.1(11) . . . .
C75 O3 C72 C73 -20.0(11) . . . .
Li2 O3 C72 C73 142.1(8) . . . .
O3 C72 C73 C74 30.2(12) . . . .
C72 C73 C74 C75 -28.9(11) . . . .
C72 O3 C75 C74 2.0(9) . . . .
Li2 O3 C75 C74 -160.3(7) . . . .
C73 C74 C75 O3 17.0(10) . . . .
O3 Li2 O4 C76 161.0(12) . . . .
O2 Li2 O4 C76 42.1(16) . . . .
O1 Li2 O4 C76 -80.5(14) . . . .
O4A Li2 O4 C76 -77(6) . . . .
O3 Li2 O4 C79 -30.2(13) . . . .
O2 Li2 O4 C79 -149.0(10) . . . .
O1 Li2 O4 C79 88.4(13) . . . .
O4A Li2 O4 C79 92(6) . . . .
C79 O4 C76 C77 -11.5(12) . . . .
Li2 O4 C76 C77 158.9(11) . . . .
O4 C76 C77 C78 -7.8(11) . . . .
C76 C77 C78 C79 23.8(10) . . . .
C76 O4 C79 C78 26.7(13) . . . .
Li2 O4 C79 C78 -144.2(11) . . . .
C77 C78 C79 O4 -31.3(12) . . . .
C83 O5 C80 C81 -32.3(10) . . . .
Li3 O5 C80 C81 154.3(8) . . . .
O5 C80 C81 C82 39.3(10) . . . .
C80 C81 C82 C83 -30.5(11) . . . .
C80 O5 C83 C82 13.7(10) . . . .
Li3 O5 C83 C82 -173.1(8) . . . .
C81 C82 C83 O5 12.0(11) . . . .
C87 O6 C84 C85 31.8(16) . . . .
Li3 O6 C84 C85 -127.7(14) . . . .
O6 C84 C85 C86 -39.5(18) . . . .
C84 C85 C86 C87 31.0(19) . . . .
C84 O6 C87 C86 -7.3(15) . . . .
Li3 O6 C87 C86 155.3(12) . . . .
C85 C86 C87 O6 -14.7(18) . . . .
O5 Li3 O6A C84A -92(3) . . . .
O8 Li3 O6A C84A 136(3) . . . .
O7A Li3 O6A C84A 32(3) . . . .
O8A Li3 O6A C84A 145(3) . . . .
O6 Li3 O6A C84A -132(4) . . . .
O7 Li3 O6A C84A 29(3) . . . .
Li3 O6A C84A C85A 170(2) . . . .
O6A C84A C85A C86A -9(6) . . . .
C91 O7 C88 C89 -3(2) . . . .
Li3 O7 C88 C89 -176.2(15) . . . .
O7 C88 C89 C90 19(2) . . . .
C88 C89 C90 C91 -26(3) . . . .
C88 O7 C91 C90 -13(3) . . . .
Li3 O7 C91 C90 161.9(17) . . . .
C89 C90 C91 O7 25(3) . . . .
C88A O7A C91A C90A 25(4) . . . .
Li3 O7A C91A C90A -157(3) . . . .
C95 O8 C92 C93 -32(2) . . . .
Li3 O8 C92 C93 124.3(17) . . . .
O8 C92 C93 C94 52(2) . . . .
C92 C93 C94 C95 -55(2) . . . .
C92 O8 C95 C94 -7(3) . . . .
Li3 O8 C95 C94 -163.9(17) . . . .
C93 C94 C95 O8 45(3) . . . .
C95A O8A C92A C93A 38(4) . . . .
Li3 O8A C92A C93A -153(3) . . . .
O8A C92A C93A C94A -43(4) . . . .
C92A C93A C94A C95A 33(4) . . . .
C92A O8A C95A C94A -9(3) . . . .
Li3 O8A C95A C94A -180(2) . . . .
C93A C94A C95A O8A -11(4) . . . .
C99 O9 C96 C97 -34.0(16) . . . .
O9 C96 C97 C98 26.5(17) . . . .
C99 C96 C97 C98 5.1(15) . . . .
C96 C97 C98 C99 -7(2) . . . .
C96 O9 C99 C98 31(2) . . . .
C97 C98 C99 O9 -15(3) . . . .
C97 C98 C99 C96 5.1(16) . . . .
