#------------------------------------------------------------------------------
#$Date: 2015-09-05 20:47:08 +0300 (Sat, 05 Sep 2015) $
#$Revision: 154501 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/62/4086232.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_4086232
loop_
_publ_author_name
'Corbey, Jordan F.'
'Woen, David H.'
'Palumbo, Chad T.'
'Fieser, Megan E.'
'Ziller, Joseph W.'
'Furche, Filipp'
'Evans, William J.'
_publ_section_title
;
 Ligand Effects in the Synthesis of Ln2+Complexes by Reduction of
 Tris(cyclopentadienyl) Precursors Including C--H Bond Activation of an
 Indenyl Anion
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              3909
_journal_paper_doi               10.1021/acs.organomet.5b00500
_journal_volume                  34
_journal_year                    2015
_chemical_formula_sum            'C78 H90 Cl Dy2 Na O6'
_chemical_formula_weight         1506.93
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                99.3597(6)
_cell_angle_beta                 109.9880(6)
_cell_angle_gamma                113.9656(6)
_cell_formula_units_Z            2
_cell_length_a                   15.2268(8)
_cell_length_b                   16.2771(9)
_cell_length_c                   16.3982(9)
_cell_measurement_reflns_used    9972
_cell_measurement_temperature    128(2)
_cell_measurement_theta_max      28.69
_cell_measurement_theta_min      2.54
_cell_volume                     3268.0(3)
_computing_cell_refinement       'Bruker SAINT 8.34a, 2013'
_computing_data_collection       'Bruker APEX2 2014.1-1, 2014'
_computing_data_reduction        'Bruker SAINT 8.34a, 2013'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL 2013/1'
_diffrn_ambient_temperature      128(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.904
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0144
_diffrn_reflns_av_unetI/netI     0.0182
_diffrn_reflns_laue_measured_fraction_full 0.998
_diffrn_reflns_laue_measured_fraction_max 0.904
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            38550
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.904
_diffrn_reflns_theta_full        25.500
_diffrn_reflns_theta_max         28.693
_diffrn_reflns_theta_min         1.411
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.371
_exptl_absorpt_correction_T_max  0.6813
_exptl_absorpt_correction_T_min  0.5467
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Bruker SADABS 2014/5'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    not_measured
_exptl_crystal_description       block
_exptl_crystal_F_000             1532
_exptl_crystal_size_max          0.342
_exptl_crystal_size_mid          0.315
_exptl_crystal_size_min          0.284
_refine_diff_density_max         1.529
_refine_diff_density_min         -0.730
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     823
_refine_ls_number_reflns         15264
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0271
_refine_ls_R_factor_gt           0.0237
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0284P)²+4.4797P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0575
_refine_ls_wR_factor_ref         0.0594
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13847
_reflns_number_total             15264
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om5b00500_si_007.cif
_cod_data_source_block           jfc64
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 
;
_cod_database_code               4086232
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.498
_shelx_estimated_absorpt_t_max   0.552
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 1.11166(2) 0.29582(2) 0.45577(2) 0.01136(3) Uani 1 1 d . . . . .
Dy2 Dy 0.91260(2) 0.21414(2) 0.07899(2) 0.01181(3) Uani 1 1 d . . . . .
Cl1 Cl 1.01956(4) 0.27086(4) 0.27030(3) 0.01435(10) Uani 1 1 d . . . . .
C1 C 1.25700(18) 0.23877(17) 0.54752(17) 0.0183(5) Uani 1 1 d . . . . .
H1A H 1.2758 0.2360 0.6113 0.022 Uiso 1 1 calc R U . . .
C2 C 1.30981(18) 0.31911(17) 0.52594(17) 0.0183(5) Uani 1 1 d . . . . .
H2A H 1.3761 0.3803 0.5722 0.022 Uiso 1 1 calc R U . . .
C3 C 1.27085(18) 0.29390(17) 0.42907(17) 0.0173(5) Uani 1 1 d . . . . .
H3A H 1.3074 0.3331 0.3976 0.021 Uiso 1 1 calc R U . . .
C4 C 1.19821(18) 0.19212(16) 0.38923(16) 0.0156(4) Uani 1 1 d . . . . .
C5 C 1.14115(18) 0.12610(17) 0.29753(17) 0.0178(5) Uani 1 1 d . . . . .
H5A H 1.1431 0.1479 0.2475 0.021 Uiso 1 1 calc R U . . .
C6 C 1.08270(19) 0.02979(17) 0.28157(17) 0.0204(5) Uani 1 1 d . . . . .
H6A H 1.0454 -0.0149 0.2201 0.025 Uiso 1 1 calc R U . . .
C7 C 1.07708(19) -0.00402(17) 0.35497(18) 0.0203(5) Uani 1 1 d . . . . .
H7A H 1.0365 -0.0710 0.3420 0.024 Uiso 1 1 calc R U . . .
C8 C 1.12924(19) 0.05841(17) 0.44432(17) 0.0186(5) Uani 1 1 d . . . . .
H8A H 1.1239 0.0352 0.4929 0.022 Uiso 1 1 calc R U . . .
C9 C 1.19099(18) 0.15767(17) 0.46346(16) 0.0164(4) Uani 1 1 d . . . . .
C10 C 1.09791(19) 0.45412(16) 0.47750(17) 0.0180(5) Uani 1 1 d . . . . .
H10A H 1.0302 0.4563 0.4466 0.022 Uiso 1 1 calc R U . . .
C11 C 1.1385(2) 0.45105(16) 0.56717(17) 0.0195(5) Uani 1 1 d . . . . .
H11A H 1.1027 0.4498 0.6083 0.023 Uiso 1 1 calc R U . . .
C12 C 1.24584(19) 0.47134(17) 0.59757(16) 0.0198(5) Uani 1 1 d . . . . .
H12A H 1.2957 0.4825 0.6619 0.024 Uiso 1 1 calc R U . . .
C13 C 1.27813(19) 0.49817(16) 0.52942(17) 0.0183(5) Uani 1 1 d . . . . .
C14 C 1.3779(2) 0.53378(17) 0.52596(19) 0.0231(5) Uani 1 1 d . . . . .
H14A H 1.4393 0.5407 0.5748 0.028 Uiso 1 1 calc R U . . .
C15 C 1.3850(2) 0.55819(17) 0.4514(2) 0.0248(5) Uani 1 1 d . . . . .
H15A H 1.4520 0.5828 0.4492 0.030 Uiso 1 1 calc R U . . .
C16 C 1.2939(2) 0.54723(17) 0.37760(18) 0.0238(5) Uani 1 1 d . . . . .
H16A H 1.3012 0.5655 0.3271 0.029 Uiso 1 1 calc R U . . .
C17 C 1.1950(2) 0.51071(16) 0.37736(17) 0.0203(5) Uani 1 1 d . . . . .
H17A H 1.1340 0.5018 0.3264 0.024 Uiso 1 1 calc R U . . .
C18 C 1.18532(18) 0.48660(15) 0.45406(16) 0.0159(4) Uani 1 1 d . . . . .
C19 C 1.00561(19) 0.23930(18) 0.55960(17) 0.0195(5) Uani 1 1 d . . . . .
H19A H 1.0360 0.2702 0.6281 0.023 Uiso 1 1 calc R U . . .
C20 C 1.01224(19) 0.16170(18) 0.51596(17) 0.0192(5) Uani 1 1 d . . . . .
H20A H 1.0449 0.1272 0.5492 0.023 Uiso 1 1 calc R U . . .
C21 C 0.94649(18) 0.12718(16) 0.41934(17) 0.0172(4) Uani 1 1 d . . . . .
H21A H 0.9251 0.0647 0.3748 0.021 Uiso 1 1 calc R U . . .
C22 C 0.88965(18) 0.17912(16) 0.40343(16) 0.0148(4) Uani 1 1 d . . . . .
C23 C 0.80808(18) 0.17099(16) 0.32273(16) 0.0163(4) Uani 1 1 d . . . . .
H23A H 0.7842 0.1261 0.2643 0.020 Uiso 1 1 calc R U . . .
C24 C 0.76362(18) 0.22870(17) 0.32973(17) 0.0173(4) Uani 1 1 d . . . . .
H24A H 0.7072 0.2219 0.2759 0.021 Uiso 1 1 calc R U . . .
C25 C 0.80034(18) 0.29807(17) 0.41557(17) 0.0179(5) Uani 1 1 d . . . . .
H25A H 0.7692 0.3380 0.4182 0.021 Uiso 1 1 calc R U . . .
C26 C 0.87995(19) 0.30855(17) 0.49477(17) 0.0181(5) Uani 1 1 d . . . . .
H26A H 0.9044 0.3556 0.5520 0.022 Uiso 1 1 calc R U . . .
C27 C 0.92560(18) 0.24864(17) 0.49059(16) 0.0161(4) Uani 1 1 d . . . . .
C28 C 0.75598(18) 0.25264(17) -0.02336(16) 0.0168(4) Uani 1 1 d . . . . .
H28A H 0.7306 0.2443 -0.0906 0.020 Uiso 1 1 calc R U . . .
C29 C 0.71221(18) 0.18161(17) 0.01209(17) 0.0172(4) Uani 1 1 d . . . . .
H29A H 0.6468 0.1170 -0.0264 0.021 Uiso 1 1 calc R U . . .
C30 C 0.75730(17) 0.22259(16) 0.10929(16) 0.0150(4) Uani 1 1 d . . . . .
H30A H 0.7274 0.1915 0.1487 0.018 Uiso 1 1 calc R U . . .
C31 C 0.82439(17) 0.32377(16) 0.13486(16) 0.0143(4) Uani 1 1 d . . . . .
C32 C 0.88345(18) 0.40083(17) 0.22032(16) 0.0169(4) Uani 1 1 d . . . . .
H32A H 0.8883 0.3891 0.2761 0.020 Uiso 1 1 calc R U . . .
C33 C 0.93399(19) 0.49337(17) 0.22140(17) 0.0197(5) Uani 1 1 d . . . . .
H33A H 0.9725 0.5456 0.2784 0.024 Uiso 1 1 calc R U . . .
C34 C 0.92963(18) 0.51198(17) 0.13921(18) 0.0196(5) Uani 1 1 d . . . . .
H34A H 0.9646 0.5765 0.1419 0.023 Uiso 1 1 calc R U . . .
C35 C 0.87592(18) 0.43867(17) 0.05577(17) 0.0175(5) Uani 1 1 d . . . . .
H35A H 0.8749 0.4520 0.0013 0.021 Uiso 1 1 calc R U . . .
C36 C 0.82194(17) 0.34285(16) 0.05182(16) 0.0147(4) Uani 1 1 d . . . . .
C37 C 1.07118(19) 0.37591(17) 0.09670(18) 0.0190(5) Uani 1 1 d . . . . .
H37A H 1.0946 0.4412 0.1374 0.023 Uiso 1 1 calc R U . . .
C38 C 0.9991(2) 0.33370(19) 0.00145(18) 0.0221(5) Uani 1 1 d . . . . .
H38A H 0.9634 0.3647 -0.0347 0.027 Uiso 1 1 calc R U . . .
C39 C 1.0031(2) 0.25304(19) -0.03812(17) 0.0220(5) Uani 1 1 d . . . . .
H39A H 0.9672 0.2160 -0.1060 0.026 Uiso 1 1 calc R U . . .
C40 C 1.08785(19) 0.24922(17) 0.03080(17) 0.0179(5) Uani 1 1 d . . . . .
C41 C 1.1348(2) 0.19009(18) 0.02790(18) 0.0216(5) Uani 1 1 d . . . . .
H41A H 1.1064 0.1385 -0.0274 0.026 Uiso 1 1 calc R U . . .
C42 C 1.2216(2) 0.20829(18) 0.10574(19) 0.0216(5) Uani 1 1 d . . . . .
H42A H 1.2546 0.1699 0.1038 0.026 Uiso 1 1 calc R U . . .
C43 C 1.26307(19) 0.28328(18) 0.18915(18) 0.0204(5) Uani 1 1 d . . . . .
H43A H 1.3237 0.2946 0.2421 0.024 Uiso 1 1 calc R U . . .
C44 C 1.21739(19) 0.33991(17) 0.19499(17) 0.0186(5) Uani 1 1 d . . . . .
H44A H 1.2442 0.3883 0.2521 0.022 Uiso 1 1 calc R U . . .
C45 C 1.13015(18) 0.32555(16) 0.11524(17) 0.0162(4) Uani 1 1 d . . . . .
C46 C 0.87290(19) 0.04600(16) 0.11648(17) 0.0187(5) Uani 1 1 d . . . . .
H46A H 0.8961 0.0419 0.1799 0.022 Uiso 1 1 calc R U . . .
C47 C 0.9357(2) 0.06276(17) 0.06868(18) 0.0203(5) Uani 1 1 d . . . . .
H47A H 1.0071 0.0655 0.0912 0.024 Uiso 1 1 calc R U . . .
C48 C 0.8706(2) 0.04500(17) -0.02473(17) 0.0201(5) Uani 1 1 d . . . . .
H48A H 0.8908 0.0360 -0.0761 0.024 Uiso 1 1 calc R U . . .
C49 C 0.76301(19) 0.00978(16) -0.03711(17) 0.0179(5) Uani 1 1 d . . . . .
C50 C 0.6630(2) -0.02841(17) -0.11657(18) 0.0224(5) Uani 1 1 d . . . . .
H50A H 0.6608 -0.0286 -0.1752 0.027 Uiso 1 1 calc R U . . .
C51 C 0.5698(2) -0.06497(18) -0.10755(19) 0.0256(5) Uani 1 1 d . . . . .
H51A H 0.5027 -0.0916 -0.1609 0.031 Uiso 1 1 calc R U . . .
C52 C 0.5709(2) -0.06404(17) -0.0205(2) 0.0250(5) Uani 1 1 d . . . . .
H52A H 0.5048 -0.0897 -0.0165 0.030 Uiso 1 1 calc R U . . .
C53 C 0.6664(2) -0.02645(17) 0.05799(19) 0.0219(5) Uani 1 1 d . . . . .
H53A H 0.6668 -0.0252 0.1162 0.026 Uiso 1 1 calc R U . . .
C54 C 0.76428(19) 0.01042(16) 0.05114(16) 0.0174(5) Uani 1 1 d . . . . .
C55 C 1.3603(2) 0.5911(2) 0.8678(2) 0.0353(7) Uani 1 1 d . . . . .
H55A H 1.3229 0.6023 0.9035 0.042 Uiso 1 1 calc R U . . .
H55B H 1.3136 0.5251 0.8216 0.042 Uiso 1 1 calc R U . . .
C56 C 1.3837(2) 0.66375(19) 0.81945(18) 0.0224(5) Uani 1 1 d . . . . .
H56A H 1.3883 0.7232 0.8521 0.027 Uiso 1 1 calc R U . . .
H56B H 1.3280 0.6368 0.7543 0.027 Uiso 1 1 calc R U . . .
C57 C 1.4924(2) 0.68214(19) 0.82533(19) 0.0242(5) Uani 1 1 d . . . . .
H57A H 1.4839 0.6326 0.7747 0.029 Uiso 1 1 calc R U . . .
H57B H 1.5335 0.7464 0.8232 0.029 Uiso 1 1 calc R U . . .
C58 C 1.5456(2) 0.6761(2) 0.9178(2) 0.0302(6) Uani 1 1 d . . . . .
H58A H 1.6009 0.6581 0.9199 0.036 Uiso 1 1 calc R U . . .
H58B H 1.5805 0.7385 0.9679 0.036 Uiso 1 1 calc R U . . .
C59 C 1.3461(3) 0.5502(4) 1.0843(2) 0.0698(15) Uani 1 1 d . . . . .
H59A H 1.2777 0.4882 1.0519 0.084 Uiso 1 1 calc R U . . .
H59B H 1.3467 0.5882 1.0430 0.084 Uiso 1 1 calc R U . . .
C60 C 1.3529(3) 0.6020(2) 1.1699(2) 0.0356(7) Uani 1 1 d . . . . .
H60A H 1.2916 0.5623 1.1806 0.043 Uiso 1 1 calc R U . . .
H60B H 1.3534 0.6626 1.1677 0.043 Uiso 1 1 calc R U . . .
C61 C 1.4588(2) 0.6221(2) 1.24518(19) 0.0310(6) Uani 1 1 d . . . . .
H61A H 1.5178 0.6872 1.2603 0.037 Uiso 1 1 calc R U . . .
H61B H 1.4526 0.6156 1.3023 0.037 Uiso 1 1 calc R U . . .
C62 C 1.4771(2) 0.5455(2) 1.2011(2) 0.0340(6) Uani 1 1 d . . . . .
H62A H 1.5549 0.5665 1.2272 0.041 Uiso 1 1 calc R U . . .
H62B H 1.4392 0.4849 1.2106 0.041 Uiso 1 1 calc R U . . .
C63 C 1.6737(2) 0.7233(2) 1.1583(2) 0.0351(7) Uani 1 1 d . . . . .
H63A H 1.6743 0.7203 1.2183 0.042 Uiso 1 1 calc R U . . .
H63B H 1.6112 0.7295 1.1221 0.042 Uiso 1 1 calc R U . . .
C64 C 1.7780(2) 0.80722(19) 1.1737(2) 0.0281(6) Uani 1 1 d . . . . .
H64A H 1.8078 0.8615 1.2309 0.034 Uiso 1 1 calc R U . . .
H64B H 1.7678 0.8297 1.1203 0.034 Uiso 1 1 calc R U . . .
C65 C 1.8498(2) 0.7622(2) 1.1827(2) 0.0288(6) Uani 1 1 d . . . . .
H65A H 1.9084 0.7967 1.1667 0.035 Uiso 1 1 calc R U . . .
H65B H 1.8815 0.7615 1.2461 0.035 Uiso 1 1 calc R U . . .
C66 C 1.7713(2) 0.6617(2) 1.1130(2) 0.0325(6) Uani 1 1 d . . . . .
H66A H 1.7696 0.6589 1.0517 0.039 Uiso 1 1 calc R U . . .
H66B H 1.7927 0.6158 1.1332 0.039 Uiso 1 1 calc R U . . .
C67 C 0.3046(3) -0.2304(3) -0.6188(3) 0.0221(8) Uani 0.6 1 d . . P A 1
H67A H 0.2868 -0.2545 -0.5717 0.026 Uiso 0.6 1 calc R U P A 1
H67B H 0.3662 -0.2368 -0.6197 0.026 Uiso 0.6 1 calc R U P A 1
C67A C 0.3161(6) -0.2030(5) -0.6832(5) 0.0299(15) Uani 0.4 1 d . . P A 2
H67C H 0.3220 -0.1772 -0.7329 0.036 Uiso 0.4 1 calc R U P A 2
H67D H 0.3708 -0.2230 -0.6618 0.036 Uiso 0.4 1 calc R U P A 2
C68 C 0.2077(2) -0.2818(2) -0.7139(2) 0.0345(7) Uani 1 1 d . . . . .
H68C H 0.2294 -0.2718 -0.7635 0.041 Uiso 0.6 1 calc R U P A 1
H68D H 0.1664 -0.3515 -0.7267 0.041 Uiso 0.6 1 calc R U P A 1
H68A H 0.2081 -0.3220 -0.6746 0.041 Uiso 0.4 1 calc R U P A 2
H68B H 0.1769 -0.3228 -0.7792 0.041 Uiso 0.4 1 calc R U P A 2
C69 C 0.1442(2) -0.2328(2) -0.7040(2) 0.0380(7) Uani 1 1 d . . . . .
H69A H 0.1040 -0.2291 -0.7638 0.046 Uiso 1 1 calc R U . . .
H69B H 0.0927 -0.2673 -0.6812 0.046 Uiso 1 1 calc R U . . .
C70 C 0.2280(3) -0.1357(2) -0.6352(3) 0.0612(13) Uani 1 1 d . . . . .
H70A H 0.2291 -0.0870 -0.6646 0.073 Uiso 1 1 calc R U . . .
H70B H 0.2106 -0.1227 -0.5833 0.073 Uiso 1 1 calc R U . . .
C71 C 0.6009(3) -0.1355(3) -0.4118(3) 0.0608(13) Uani 1 1 d . . . . .
H71A H 0.6760 -0.0816 -0.3770 0.073 Uiso 1 1 calc R U . . .
H71B H 0.5917 -0.1714 -0.4717 0.073 Uiso 1 1 calc R U . . .
C72 C 0.5795(2) -0.2008(2) -0.35723(19) 0.0248(5) Uani 1 1 d . . . . .
H72A H 0.6333 -0.1682 -0.2911 0.030 Uiso 1 1 calc R U . . .
H72B H 0.5796 -0.2602 -0.3829 0.030 Uiso 1 1 calc R U . . .
C73 C 0.4676(2) -0.22222(19) -0.3696(2) 0.0243(5) Uani 1 1 d . . . . .
H73C H 0.4107 -0.2785 -0.4262 0.029 Uiso 0.6 1 calc R U P B 1
H73D H 0.4575 -0.2346 -0.3154 0.029 Uiso 0.6 1 calc R U P B 1
H73A H 0.4212 -0.2909 -0.3816 0.029 Uiso 0.4 1 calc R U P C 2
H73B H 0.4716 -0.1826 -0.3144 0.029 Uiso 0.4 1 calc R U P C 2
C74 C 0.4659(3) -0.1339(3) -0.3776(3) 0.0187(8) Uani 0.6 1 d . . P A 1
H74A H 0.4981 -0.0851 -0.3158 0.022 Uiso 0.6 1 calc R U P A 1
H74B H 0.3915 -0.1475 -0.4140 0.022 Uiso 0.6 1 calc R U P A 1
C74A C 0.4288(5) -0.1969(4) -0.4488(4) 0.0207(12) Uani 0.4 1 d . . P A 2
H74C H 0.3685 -0.1857 -0.4527 0.025 Uiso 0.4 1 calc R U P A 2
H74D H 0.4054 -0.2469 -0.5070 0.025 Uiso 0.4 1 calc R U P A 2
C75 C 0.6530(3) -0.0375(3) -0.5995(2) 0.0541(10) Uani 1 1 d . . . . .
H75A H 0.6740 -0.0700 -0.5566 0.065 Uiso 1 1 calc R U . . .
H75B H 0.7083 0.0315 -0.5712 0.065 Uiso 1 1 calc R U . . .
C76 C 0.6476(2) -0.0801(2) -0.6901(2) 0.0285(6) Uani 1 1 d . . . . .
H76A H 0.6399 -0.1447 -0.6984 0.034 Uiso 1 1 calc R U . . .
H76B H 0.7122 -0.0384 -0.6958 0.034 Uiso 1 1 calc R U . . .
C77 C 0.5468(2) -0.0853(2) -0.7592(2) 0.0313(6) Uani 1 1 d . . . . .
H77C H 0.5633 -0.0233 -0.7691 0.038 Uiso 0.5 1 calc R U P D 1
H77D H 0.5136 -0.1367 -0.8196 0.038 Uiso 0.5 1 calc R U P D 1
H77A H 0.5582 -0.0629 -0.8093 0.038 Uiso 0.5 1 calc R U P E 2
H77B H 0.4840 -0.1510 -0.7868 0.038 Uiso 0.5 1 calc R U P E 2
C78 C 0.4757(3) -0.1072(3) -0.7134(3) 0.0148(8) Uani 0.5 1 d . . P A 1
H78A H 0.4389 -0.1765 -0.7229 0.018 Uiso 0.5 1 calc R U P A 1
H78B H 0.4210 -0.0876 -0.7367 0.018 Uiso 0.5 1 calc R U P A 1
C78A C 0.5336(5) -0.0164(5) -0.6960(5) 0.0378(14) Uani 0.5 1 d . . P A 2
H78C H 0.5873 0.0514 -0.6800 0.045 Uiso 0.5 1 calc R U P A 2
H78D H 0.4602 -0.0251 -0.7241 0.045 Uiso 0.5 1 calc R U P A 2
Na1 Na 1.5000 0.5000 1.0000 0.0150(2) Uani 1 2 d S . P . .
Na2 Na 0.5000 0.0000 -0.5000 0.0155(2) Uani 1 2 d S . P A .
O1 O 1.45978(16) 0.60259(16) 0.92765(15) 0.0335(5) Uani 1 1 d . . . . .
O2 O 1.43303(16) 0.53347(17) 1.10402(13) 0.0348(5) Uani 1 1 d . . . . .
O3 O 1.66849(15) 0.63872(13) 1.10761(15) 0.0309(4) Uani 1 1 d . . . . .
O4 O 0.32727(16) -0.12900(16) -0.6019(2) 0.0552(8) Uani 1 1 d . . . . .
O5 O 0.5326(2) -0.1013(2) -0.4270(2) 0.0612(9) Uani 1 1 d . . . . .
O6 O 0.55408(18) -0.0477(2) -0.61245(14) 0.0425(6) Uani 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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
Cnt1 Dy1 Cnt2 115.6 . .
Cnt1 Dy1 Cnt3 114.7 . .
Cnt1 Dy1 Cl1 103.6 . .
Cnt2 Dy1 Cnt3 116.7 . .
Cnt2 Dy1 Cl1 99.9 . .
Cnt3 Dy1 Cl1 103.1 . .
Cnt4 Dy2 Cnt5 115.3 . .
Cnt4 Dy2 Cnt6 115.5 . .
Cnt4 Dy2 Cl1 102.2 . .
Cnt5 Dy2 Cnt6 117.5 . .
Cnt5 Dy2 Cl1 102.5 . .
Cnt6 Dy2 Cl1 100.1 . .
C3 Dy1 C10 119.64(7) . .
C3 Dy1 C11 121.56(7) . .
C10 Dy1 C11 30.75(7) . .
C3 Dy1 C21 117.03(7) . .
C10 Dy1 C21 121.66(7) . .
C11 Dy1 C21 117.97(7) . .
C3 Dy1 C20 116.43(7) . .
C10 Dy1 C20 120.68(7) . .
C11 Dy1 C20 101.16(8) . .
C21 Dy1 C20 30.85(8) . .
C3 Dy1 C2 30.92(7) . .
C10 Dy1 C2 116.57(7) . .
C11 Dy1 C2 102.21(8) . .
C21 Dy1 C2 118.75(7) . .
C20 Dy1 C2 101.59(7) . .
C3 Dy1 C19 139.39(7) . .
C10 Dy1 C19 91.23(7) . .
C11 Dy1 C19 71.75(7) . .
C21 Dy1 C19 50.52(8) . .
C20 Dy1 C19 30.11(7) . .
C2 Dy1 C19 113.65(7) . .
C3 Dy1 C12 92.76(7) . .
C10 Dy1 C12 50.43(7) . .
C11 Dy1 C12 30.09(7) . .
C21 Dy1 C12 138.06(7) . .
C20 Dy1 C12 110.67(8) . .
C2 Dy1 C12 72.37(7) . .
C19 Dy1 C12 87.58(7) . .
C3 Dy1 Cl1 85.29(5) . .
C10 Dy1 Cl1 83.33(5) . .
C11 Dy1 Cl1 114.02(6) . .
C21 Dy1 Cl1 88.57(5) . .
C20 Dy1 Cl1 119.42(6) . .
C2 Dy1 Cl1 115.94(5) . .
C19 Dy1 Cl1 126.82(5) . .
C12 Dy1 Cl1 124.73(5) . .
C3 Dy1 C1 50.17(7) . .
C10 Dy1 C1 137.28(7) . .
C11 Dy1 C1 111.64(7) . .
C21 Dy1 C1 90.54(7) . .
C20 Dy1 C1 72.30(7) . .
C2 Dy1 C1 29.60(7) . .
C19 Dy1 C1 89.37(7) . .
C12 Dy1 C1 86.95(7) . .
Cl1 Dy1 C1 128.39(5) . .
C3 Dy1 C4 30.29(7) . .
C10 Dy1 C4 146.40(7) . .
C11 Dy1 C4 150.43(7) . .
C21 Dy1 C4 86.97(7) . .
C20 Dy1 C4 92.92(7) . .
C2 Dy1 C4 49.07(7) . .
C19 Dy1 C4 122.06(7) . .
C12 Dy1 C4 120.40(7) . .
Cl1 Dy1 C4 79.99(5) . .
C1 Dy1 C4 48.45(7) . .
C3 Dy1 C22 142.21(7) . .
C10 Dy1 C22 92.26(7) . .
C11 Dy1 C22 96.23(7) . .
C21 Dy1 C22 29.95(7) . .
C20 Dy1 C22 48.99(7) . .
C2 Dy1 C22 148.22(7) . .
C19 Dy1 C22 48.81(7) . .
C12 Dy1 C22 124.51(7) . .
Cl1 Dy1 C22 78.48(5) . .
C1 Dy1 C22 118.97(7) . .
C4 Dy1 C22 112.48(7) . .
C3 Dy1 C18 89.98(7) . .
C10 Dy1 C18 29.85(7) . .
C11 Dy1 C18 48.81(7) . .
C21 Dy1 C18 147.92(7) . .
C20 Dy1 C18 149.10(7) . .
C2 Dy1 C18 93.32(7) . .
C19 Dy1 C18 119.00(7) . .
C12 Dy1 C18 48.67(7) . .
Cl1 Dy1 C18 76.07(5) . .
C1 Dy1 C18 121.11(7) . .
C4 Dy1 C18 117.00(7) . .
C22 Dy1 C18 118.17(6) . .
C3 Dy1 C27 164.55(7) . .
C10 Dy1 C27 75.61(7) . .
C11 Dy1 C27 69.76(7) . .
C21 Dy1 C27 49.13(7) . .
C20 Dy1 C27 48.41(7) . .
C2 Dy1 C27 142.79(7) . .
C19 Dy1 C27 29.22(7) . .
C12 Dy1 C27 96.12(7) . .
Cl1 Dy1 C27 99.86(5) . .
C1 Dy1 C27 117.63(7) . .
C4 Dy1 C27 135.92(7) . .
C22 Dy1 C27 28.93(6) . .
C18 Dy1 C27 105.37(7) . .
C3 Dy1 C13 75.47(7) . .
C10 Dy1 C13 48.86(7) . .
C11 Dy1 C13 48.05(7) . .
C21 Dy1 C13 165.81(7) . .
C20 Dy1 C13 139.24(7) . .
C2 Dy1 C13 68.00(7) . .
C19 Dy1 C13 115.83(7) . .
C12 Dy1 C13 28.93(7) . .
Cl1 Dy1 C13 99.62(5) . .
C1 Dy1 C13 93.33(7) . .
C4 Dy1 C13 105.77(7) . .
C22 Dy1 C13 140.59(7) . .
C18 Dy1 C13 28.83(7) . .
C27 Dy1 C13 117.49(7) . .
C3 Dy1 C9 48.84(7) . .
C10 Dy1 C9 164.13(7) . .
C11 Dy1 C9 139.74(7) . .
C21 Dy1 C9 72.93(7) . .
C20 Dy1 C9 67.89(7) . .
C2 Dy1 C9 47.62(7) . .
C19 Dy1 C9 94.83(7) . .
C12 Dy1 C9 115.12(7) . .
Cl1 Dy1 C9 104.46(5) . .
C1 Dy1 C9 28.54(7) . .
C4 Dy1 C9 28.74(6) . .
C22 Dy1 C9 102.77(6) . .
C18 Dy1 C9 137.85(6) . .
C27 Dy1 C9 115.74(6) . .
C13 Dy1 C9 115.54(6) . .
C47 Dy2 C30 121.95(7) . .
C47 Dy2 C37 119.12(7) . .
C30 Dy2 C37 117.54(7) . .
C47 Dy2 C29 116.25(7) . .
C30 Dy2 C29 31.03(7) . .
C37 Dy2 C29 121.00(7) . .
C47 Dy2 C38 118.52(8) . .
C30 Dy2 C38 116.14(7) . .
C37 Dy2 C38 30.91(8) . .
C29 Dy2 C38 102.82(8) . .
C47 Dy2 C48 30.94(8) . .
C30 Dy2 C48 118.17(7) . .
C37 Dy2 C48 120.42(8) . .
C29 Dy2 C48 97.49(7) . .
C38 Dy2 C48 103.06(8) . .
C47 Dy2 C39 89.23(8) . .
C30 Dy2 C39 138.57(7) . .
C37 Dy2 C39 50.56(8) . .
C29 Dy2 C39 113.53(7) . .
C38 Dy2 C39 30.12(8) . .
C48 Dy2 C39 73.82(8) . .
C47 Dy2 Cl1 87.90(6) . .
C30 Dy2 Cl1 84.13(5) . .
C37 Dy2 Cl1 86.16(6) . .
C29 Dy2 Cl1 114.88(5) . .
C38 Dy2 Cl1 117.02(6) . .
C48 Dy2 Cl1 118.67(6) . .
C39 Dy2 Cl1 127.09(6) . .
C47 Dy2 C46 30.04(7) . .
C30 Dy2 C46 93.38(7) . .
C37 Dy2 C46 141.68(7) . .
C29 Dy2 C46 97.23(7) . .
C38 Dy2 C46 148.54(8) . .
C48 Dy2 C46 49.88(7) . .
C39 Dy2 C46 118.88(8) . .
Cl1 Dy2 C46 74.42(5) . .
C47 Dy2 C28 135.36(7) . .
C30 Dy2 C28 50.30(7) . .
C37 Dy2 C28 92.73(7) . .
C29 Dy2 C28 29.92(7) . .
C38 Dy2 C28 73.07(7) . .
C48 Dy2 C28 107.03(7) . .
C39 Dy2 C28 88.57(7) . .
Cl1 Dy2 C28 127.29(5) . .
C46 Dy2 C28 125.35(7) . .
C47 Dy2 C45 89.53(7) . .
C30 Dy2 C45 143.32(7) . .
C37 Dy2 C45 30.16(7) . .
C29 Dy2 C45 150.38(7) . .
C38 Dy2 C45 49.17(7) . .
C48 Dy2 C45 98.51(7) . .
C39 Dy2 C45 48.85(7) . .
Cl1 Dy2 C45 78.30(5) . .
C46 Dy2 C45 112.13(7) . .
C28 Dy2 C45 120.76(7) . .
C47 Dy2 C31 149.36(7) . .
C30 Dy2 C31 29.99(6) . .
C37 Dy2 C31 87.64(7) . .
C29 Dy2 C31 49.17(7) . .
C38 Dy2 C31 92.07(7) . .
C48 Dy2 C31 146.11(7) . .
C39 Dy2 C31 120.81(7) . .
Cl1 Dy2 C31 78.74(5) . .
C46 Dy2 C31 119.33(7) . .
C28 Dy2 C31 48.59(7) . .
C45 Dy2 C31 114.07(6) . .
C47 Dy2 C40 73.12(7) . .
C30 Dy2 C40 164.44(7) . .
C37 Dy2 C40 49.19(7) . .
C29 Dy2 C40 142.41(7) . .
C38 Dy2 C40 48.40(7) . .
C48 Dy2 C40 72.19(7) . .
C39 Dy2 C40 29.14(7) . .
Cl1 Dy2 C40 101.31(5) . .
C46 Dy2 C40 102.11(7) . .
C28 Dy2 C40 117.18(7) . .
C45 Dy2 C40 28.92(7) . .
C31 Dy2 C40 136.31(7) . .
C47 Dy2 C49 48.03(7) . .
C30 Dy2 C49 89.45(7) . .
C37 Dy2 C49 144.64(7) . .
C29 Dy2 C49 70.62(7) . .
C38 Dy2 C49 118.22(8) . .
C48 Dy2 C49 28.77(7) . .
C39 Dy2 C49 94.14(7) . .
Cl1 Dy2 C49 121.01(5) . .
C46 Dy2 C49 47.44(7) . .
C28 Dy2 C49 87.71(7) . .
C45 Dy2 C49 127.19(7) . .
C31 Dy2 C49 117.69(7) . .
C40 Dy2 C49 99.88(7) . .
C47 Dy2 C36 163.42(7) . .
C30 Dy2 C36 48.57(7) . .
C37 Dy2 C36 74.57(7) . .
C29 Dy2 C36 47.87(7) . .
C38 Dy2 C36 67.68(7) . .
C48 Dy2 C36 135.49(7) . .
C39 Dy2 C36 93.79(7) . .
Cl1 Dy2 C36 103.08(5) . .
C46 Dy2 C36 141.41(7) . .
C28 Dy2 C36 28.73(6) . .
C45 Dy2 C36 104.71(6) . .
C31 Dy2 C36 28.62(6) . .
C40 Dy2 C36 115.88(6) . .
C49 Dy2 C36 115.43(6) . .
C47 Dy2 C54 47.38(7) . .
C30 Dy2 C54 76.13(7) . .
C37 Dy2 C54 166.29(7) . .
C29 Dy2 C54 70.92(7) . .
C38 Dy2 C54 146.17(8) . .
C48 Dy2 C54 47.60(7) . .
C39 Dy2 C54 120.37(7) . .
Cl1 Dy2 C54 94.79(5) . .
C46 Dy2 C54 28.18(6) . .
C28 Dy2 C54 97.50(7) . .
C45 Dy2 C54 136.81(6) . .
C31 Dy2 C54 105.97(6) . .
C40 Dy2 C54 117.45(7) . .
C49 Dy2 C54 27.95(6) . .
C36 Dy2 C54 118.30(6) . .
Dy1 Cl1 Dy2 170.69(2) . .
C2 C1 C9 107.6(2) . .
C2 C1 Dy1 69.84(13) . .
C9 C1 Dy1 81.52(13) . .
C1 C2 C3 110.0(2) . .
C1 C2 Dy1 80.57(13) . .
C3 C2 Dy1 72.49(13) . .
C2 C3 C4 106.8(2) . .
C2 C3 Dy1 76.58(13) . .
C4 C3 Dy1 82.79(13) . .
C5 C4 C3 132.7(2) . .
C5 C4 C9 119.4(2) . .
C3 C4 C9 107.9(2) . .
C5 C4 Dy1 120.77(15) . .
C3 C4 Dy1 66.91(12) . .
C9 C4 Dy1 80.70(13) . .
C6 C5 C4 119.1(2) . .
C5 C6 C7 121.3(2) . .
C8 C7 C6 121.0(2) . .
C7 C8 C9 119.3(2) . .
C8 C9 C1 132.7(2) . .
C8 C9 C4 119.9(2) . .
C1 C9 C4 107.4(2) . .
C8 C9 Dy1 126.50(15) . .
C1 C9 Dy1 69.94(13) . .
C4 C9 Dy1 70.56(12) . .
C11 C10 C18 107.1(2) . .
C11 C10 Dy1 74.90(13) . .
C18 C10 Dy1 83.00(13) . .
C10 C11 C12 110.0(2) . .
C10 C11 Dy1 74.35(13) . .
C12 C11 Dy1 78.99(14) . .
C11 C12 C13 107.4(2) . .
C11 C12 Dy1 70.92(13) . .
C13 C12 Dy1 82.18(13) . .
C14 C13 C12 133.0(2) . .
C14 C13 C18 119.7(2) . .
C12 C13 C18 107.4(2) . .
C14 C13 Dy1 125.44(16) . .
C12 C13 Dy1 68.89(13) . .
C18 C13 Dy1 72.64(12) . .
C15 C14 C13 119.3(2) . .
C14 C15 C16 121.0(2) . .
C17 C16 C15 121.4(2) . .
C16 C17 C18 119.1(2) . .
C17 C18 C10 132.6(2) . .
C17 C18 C13 119.5(2) . .
C10 C18 C13 107.8(2) . .
C17 C18 Dy1 122.68(15) . .
C10 C18 Dy1 67.14(12) . .
C13 C18 Dy1 78.52(13) . .
C20 C19 C27 107.6(2) . .
C20 C19 Dy1 71.55(13) . .
C27 C19 Dy1 81.49(13) . .
C19 C20 C21 109.7(2) . .
C19 C20 Dy1 78.34(13) . .
C21 C20 Dy1 74.42(13) . .
C20 C21 C22 106.9(2) . .
C20 C21 Dy1 74.73(13) . .
C22 C21 Dy1 82.05(13) . .
C23 C22 C21 132.4(2) . .
C23 C22 C27 119.3(2) . .
C21 C22 C27 108.3(2) . .
C23 C22 Dy1 122.02(15) . .
C21 C22 Dy1 68.00(12) . .
C27 C22 Dy1 78.10(13) . .
C24 C23 C22 119.3(2) . .
C23 C24 C25 121.3(2) . .
C26 C25 C24 121.0(2) . .
C25 C26 C27 119.3(2) . .
C26 C27 C19 133.0(2) . .
C26 C27 C22 119.9(2) . .
C19 C27 C22 107.2(2) . .
C26 C27 Dy1 123.82(15) . .
C19 C27 Dy1 69.29(13) . .
C22 C27 Dy1 72.97(12) . .
C29 C28 C36 107.5(2) . .
C29 C28 Dy2 69.86(13) . .
C36 C28 Dy2 82.47(13) . .
C28 C29 C30 109.6(2) . .
C28 C29 Dy2 80.22(13) . .
C30 C29 Dy2 73.74(13) . .
C29 C30 C31 107.4(2) . .
C29 C30 Dy2 75.23(13) . .
C31 C30 Dy2 83.39(13) . .
C32 C31 C30 132.7(2) . .
C32 C31 C36 119.6(2) . .
C30 C31 C36 107.6(2) . .
C32 C31 Dy2 121.76(15) . .
C30 C31 Dy2 66.62(12) . .
C36 C31 Dy2 79.97(13) . .
C33 C32 C31 118.9(2) . .
C32 C33 C34 121.2(2) . .
C35 C34 C33 121.2(2) . .
C34 C35 C36 119.1(2) . .
C35 C36 C28 132.6(2) . .
C35 C36 C31 119.8(2) . .
C28 C36 C31 107.5(2) . .
C35 C36 Dy2 127.18(15) . .
C28 C36 Dy2 68.80(12) . .
C31 C36 Dy2 71.42(12) . .
C38 C37 C45 107.0(2) . .
C38 C37 Dy2 74.93(14) . .
C45 C37 Dy2 82.57(13) . .
C39 C38 C37 109.7(2) . .
C39 C38 Dy2 78.44(14) . .
C37 C38 Dy2 74.16(13) . .
C38 C39 C40 107.9(2) . .
C38 C39 Dy2 71.45(13) . .
C40 C39 Dy2 81.91(13) . .
C41 C40 C39 132.7(2) . .
C41 C40 C45 119.9(2) . .
C39 C40 C45 107.3(2) . .
C41 C40 Dy2 125.57(16) . .
C39 C40 Dy2 68.95(13) . .
C45 C40 Dy2 72.96(12) . .
C42 C41 C40 119.1(2) . .
C41 C42 C43 121.1(2) . .
C44 C43 C42 121.3(2) . .
C43 C44 C45 119.3(2) . .
C44 C45 C40 119.4(2) . .
C44 C45 C37 132.9(2) . .
C40 C45 C37 107.7(2) . .
C44 C45 Dy2 122.51(15) . .
C40 C45 Dy2 78.12(13) . .
C37 C45 Dy2 67.27(12) . .
C47 C46 C54 107.8(2) . .
C47 C46 Dy2 68.69(13) . .
C54 C46 Dy2 84.95(14) . .
C46 C47 C48 109.5(2) . .
C46 C47 Dy2 81.27(14) . .
C48 C47 Dy2 77.12(14) . .
C47 C48 C49 107.3(2) . .
C47 C48 Dy2 71.95(13) . .
C49 C48 Dy2 86.17(14) . .
C50 C49 C48 132.7(2) . .
C50 C49 C54 119.3(2) . .
C48 C49 C54 107.8(2) . .
C50 C49 Dy2 126.36(16) . .
C48 C49 Dy2 65.05(12) . .
C54 C49 Dy2 78.13(13) . .
C51 C50 C49 119.1(2) . .
C50 C51 C52 121.7(2) . .
C53 C52 C51 120.7(2) . .
C52 C53 C54 119.3(2) . .
C53 C54 C46 132.5(2) . .
C53 C54 C49 119.9(2) . .
C46 C54 C49 107.4(2) . .
C53 C54 Dy2 127.99(15) . .
C46 C54 Dy2 66.88(12) . .
C49 C54 Dy2 73.91(13) . .
O1 C55 C56 107.6(2) . .
C55 C56 C57 102.1(2) . .
C58 C57 C56 101.9(2) . .
O1 C58 C57 105.4(2) . .
O2 C59 C60 110.3(3) . .
C59 C60 C61 104.3(2) . .
C62 C61 C60 102.5(2) . .
O2 C62 C61 104.1(2) . .
O3 C63 C64 105.5(2) . .
C63 C64 C65 101.5(2) . .
C66 C65 C64 102.1(2) . .
O3 C66 C65 106.9(2) . .
O4 C67 C68 101.0(3) . .
C68 C67A O4 101.3(4) . .
C67A C68 C69 104.3(4) . .
C69 C68 C67 101.2(3) . .
C70 C69 C68 103.7(2) . .
O4 C70 C69 110.4(3) . .
O5 C71 C72 109.9(2) . .
C71 C72 C73 102.0(2) . .
C74A C73 C72 102.5(3) . .
C74 C73 C72 103.5(2) . .
C73 C74 O5 103.0(3) . .
C73 C74A O5 101.0(4) . .
O6 C75 C76 110.1(3) . .
C75 C76 C77 102.0(2) . .
C78 C77 C76 102.8(3) . .
C78A C77 C76 100.3(3) . .
C77 C78 O6 102.6(3) . .
O6 C78A C77 100.5(4) . .
O1 Na1 O1 180.0 . 2_867
O1 Na1 O2 89.21(8) . 2_867
O1 Na1 O2 90.79(7) 2_867 2_867
O1 Na1 O2 90.79(8) . .
O1 Na1 O2 89.21(8) 2_867 .
O2 Na1 O2 180.0 2_867 .
O1 Na1 O3 92.99(8) . 2_867
O1 Na1 O3 87.01(8) 2_867 2_867
O2 Na1 O3 86.67(7) 2_867 2_867
O2 Na1 O3 93.33(7) . 2_867
O1 Na1 O3 87.01(8) . .
O1 Na1 O3 92.99(8) 2_867 .
O2 Na1 O3 93.33(7) 2_867 .
O2 Na1 O3 86.67(7) . .
O3 Na1 O3 180.00(11) 2_867 .
O5 Na2 O5 180.0 . 2_654
O5 Na2 O4 88.52(10) . .
O5 Na2 O4 91.48(10) 2_654 .
O5 Na2 O4 91.48(10) . 2_654
O5 Na2 O4 88.52(10) 2_654 2_654
O4 Na2 O4 180.0 . 2_654
O5 Na2 O6 91.85(9) . .
O5 Na2 O6 88.15(9) 2_654 .
O4 Na2 O6 86.01(9) . .
O4 Na2 O6 93.99(9) 2_654 .
O5 Na2 O6 88.15(9) . 2_654
O5 Na2 O6 91.85(9) 2_654 2_654
O4 Na2 O6 93.99(9) . 2_654
O4 Na2 O6 86.01(9) 2_654 2_654
O6 Na2 O6 180.0 . 2_654
C55 O1 C58 109.1(2) . .
C55 O1 Na1 130.86(17) . .
C58 O1 Na1 117.39(15) . .
C59 O2 C62 106.8(2) . .
C59 O2 Na1 126.46(19) . .
C62 O2 Na1 126.69(16) . .
C66 O3 C63 109.7(2) . .
C66 O3 Na1 126.79(16) . .
C63 O3 Na1 121.37(16) . .
C70 O4 C67 105.1(3) . .
C70 O4 C67A 103.1(3) . .
C70 O4 Na2 131.86(19) . .
C67 O4 Na2 120.6(2) . .
C67A O4 Na2 117.8(3) . .
C71 O5 C74 109.6(2) . .
C71 O5 C74A 97.5(3) . .
C71 O5 Na2 136.81(19) . .
C74 O5 Na2 113.40(19) . .
C74A O5 Na2 114.9(2) . .
C75 O6 C78 107.3(3) . .
C75 O6 C78A 96.0(3) . .
C75 O6 Na2 129.3(2) . .
C78 O6 Na2 123.1(2) . .
C78A O6 Na2 119.1(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 Cnt1 2.499 .
Dy1 Cnt2 2.490 .
Dy1 Cnt3 2.482 .
Dy2 Cnt4 2.494 .
Dy2 Cnt5 2.474 .
Dy2 Cnt6 2.535 .
Dy1 C3 2.617(2) .
Dy1 C10 2.646(2) .
Dy1 C11 2.653(2) .
Dy1 C21 2.655(2) .
Dy1 C20 2.659(2) .
Dy1 C2 2.670(2) .
Dy1 C19 2.745(2) .
Dy1 C12 2.755(2) .
Dy1 Cl1 2.7571(5) .
Dy1 C1 2.805(2) .
Dy1 C4 2.823(2) .
Dy1 C22 2.836(2) .
Dy1 C18 2.850(2) .
Dy1 C27 2.902(2) .
Dy1 C13 2.926(2) .
Dy1 C9 2.954(2) .
Dy2 C47 2.614(2) .
Dy2 C30 2.627(2) .
Dy2 C37 2.637(2) .
Dy2 C29 2.647(2) .
Dy2 C38 2.647(2) .
Dy2 C48 2.680(2) .
Dy2 C39 2.735(2) .
Dy2 Cl1 2.7731(5) .
Dy2 C46 2.773(2) .
Dy2 C28 2.778(2) .
Dy2 C45 2.835(2) .
Dy2 C31 2.843(2) .
Dy2 C40 2.902(2) .
Dy2 C49 2.949(2) .
Dy2 C36 2.954(2) .
Dy2 C54 3.004(2) .
C1 C2 1.405(3) .
C1 C9 1.427(3) .
C2 C3 1.410(3) .
C3 C4 1.435(3) .
C4 C5 1.412(3) .
C4 C9 1.439(3) .
C5 C6 1.375(3) .
C6 C7 1.417(4) .
C7 C8 1.369(4) .
C8 C9 1.411(3) .
C10 C11 1.405(3) .
C10 C18 1.429(3) .
C11 C12 1.407(3) .
C12 C13 1.429(3) .
C13 C14 1.415(3) .
C13 C18 1.440(3) .
C14 C15 1.371(4) .
C15 C16 1.415(4) .
C16 C17 1.374(3) .
C17 C18 1.413(3) .
C19 C20 1.406(3) .
C19 C27 1.432(3) .
C20 C21 1.413(3) .
C21 C22 1.430(3) .
C22 C23 1.413(3) .
C22 C27 1.435(3) .
C23 C24 1.374(3) .
C24 C25 1.415(3) .
C25 C26 1.367(3) .
C26 C27 1.414(3) .
C28 C29 1.406(3) .
C28 C36 1.432(3) .
C29 C30 1.411(3) .
C30 C31 1.431(3) .
C31 C32 1.413(3) .
C31 C36 1.437(3) .
C32 C33 1.379(3) .
C33 C34 1.414(4) .
C34 C35 1.370(3) .
C35 C36 1.415(3) .
C37 C38 1.408(4) .
C37 C45 1.436(3) .
C38 C39 1.401(4) .
C39 C40 1.427(3) .
C40 C41 1.417(3) .
C40 C45 1.434(3) .
C41 C42 1.367(4) .
C42 C43 1.414(4) .
C43 C44 1.371(3) .
C44 C45 1.411(3) .
C46 C47 1.405(3) .
C46 C54 1.424(3) .
C47 C48 1.414(4) .
C48 C49 1.423(3) .
C49 C50 1.419(3) .
C49 C54 1.439(3) .
C50 C51 1.370(4) .
C51 C52 1.419(4) .
C52 C53 1.374(4) .
C53 C54 1.415(3) .
C55 O1 1.410(3) .
C55 C56 1.519(4) .
C56 C57 1.522(3) .
C57 C58 1.496(4) .
C58 O1 1.451(3) .
C59 O2 1.399(4) .
C59 C60 1.462(4) .
C60 C61 1.519(4) .
C61 C62 1.510(4) .
C62 O2 1.443(4) .
C63 O3 1.445(3) .
C63 C64 1.517(4) .
C64 C65 1.527(4) .
C65 C66 1.509(4) .
C66 O3 1.420(3) .
C67 O4 1.498(4) .
C67 C68 1.520(5) .
C67A C68 1.457(7) .
C67A O4 1.554(7) .
C68 C69 1.514(4) .
C69 C70 1.482(4) .
C70 O4 1.371(4) .
C71 O5 1.339(4) .
C71 C72 1.504(4) .
C72 C73 1.525(3) .
C73 C74A 1.432(6) .
C73 C74 1.475(4) .
C74 O5 1.493(4) .
C74A O5 1.575(6) .
C75 O6 1.381(4) .
C75 C76 1.494(4) .
C76 C77 1.524(4) .
C77 C78 1.480(5) .
C77 C78A 1.523(7) .
C78 O6 1.514(5) .
C78A O6 1.516(6) .
Na1 O1 2.3557(18) .
Na1 O1 2.3557(18) 2_867
Na1 O2 2.3630(19) 2_867
Na1 O2 2.3631(19) .
Na1 O3 2.3869(19) 2_867
Na1 O3 2.3869(19) .
Na2 O5 2.303(2) .
Na2 O5 2.303(2) 2_654
Na2 O4 2.342(2) .
Na2 O4 2.342(2) 2_654
Na2 O6 2.4029(19) .
Na2 O6 2.4030(19) 2_654
