#------------------------------------------------------------------------------
#$Date: 2019-11-29 19:39:25 +0200 (Fri, 29 Nov 2019) $
#$Revision: 244809 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/29/7702916.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_7702916
loop_
_publ_author_name
'She, Shixiong'
'Chen, Yanmei'
'Zaworotko, Michael J.'
'Liu, Wei'
'Cao, Yanyuan'
'Wu, Jian'
'Li, Yahong'
_publ_section_title
;
 Synthesis, structures and magnetic properties of a family of
 nitrate-bridged octanuclear [Na2Ln6] (Ln = Dy, Tb, Gd, Sm) complexes.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10433
_journal_page_last               10438
_journal_paper_doi               10.1039/c3dt50417d
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety
'C138 H127 N11 Na2 O49 Dy6, 2(NO3),15(H2O), 1(C2H6O)'
_chemical_formula_sum            'C140 H165 Dy6 N13 Na2 O71'
_chemical_formula_weight         4186.82
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2013-02-09
_audit_creation_method
;
  Olex2 1.2
  (compiled 2012.05.09 svn.r2324, GUI svn.r4230)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 103.5140(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   28.4980(18)
_cell_length_b                   19.3970(11)
_cell_length_c                   30.5590(18)
_cell_measurement_reflns_used    9935
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      28.36
_cell_measurement_theta_min      2.27
_cell_volume                     16424.6(17)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  MoKα
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0376
_diffrn_reflns_av_unetI/netI     0.0469
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            56274
_diffrn_reflns_theta_full        28.37
_diffrn_reflns_theta_max         28.37
_diffrn_reflns_theta_min         1.75
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.807
_exptl_absorpt_correction_T_max  0.714
_exptl_absorpt_correction_T_min  0.589
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS;Bruker,2000
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.693
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             8832
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_platon_squeeze_details
;
 ?
;
_refine_diff_density_max         1.477
_refine_diff_density_min         -1.016
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1025
_refine_ls_number_reflns         20511
_refine_ls_number_restraints     237
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0414
_refine_ls_R_factor_gt           0.0312
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0340P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0708
_refine_ls_wR_factor_ref         0.0739
_reflns_number_gt                16594
_reflns_number_total             20511
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt50417d.cif
_cod_data_source_block           x
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_database_code               7702916
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y, -z+1/2'
3 'x+1/2, y+1/2, z'
4 '-x+1/2, y+1/2, -z+1/2'
5 '-x, -y, -z'
6 'x, -y, z-1/2'
7 '-x+1/2, -y+1/2, -z'
8 'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.438801(6) 0.429277(7) 0.304584(5) 0.01643(4) Uani 1 1 d . . .
Dy2 Dy 0.469024(5) 0.632158(7) 0.297780(4) 0.01461(4) Uani 1 1 d . . .
Dy3 Dy 0.559562(6) 0.773140(7) 0.291974(5) 0.01644(4) Uani 1 1 d . . .
Na1 Na 0.55228(5) 0.35392(6) 0.31328(4) 0.0233(3) Uani 1 1 d D . .
O1 O 0.47706(8) 0.75106(11) 0.28356(7) 0.0163(5) Uani 1 1 d . . .
H1A H 0.4655 0.7760 0.3011 0.020 Uiso 1 1 d R . .
O2 O 0.54361(8) 0.65387(10) 0.28069(7) 0.0156(4) Uani 1 1 d . . .
H2A H 0.5658 0.6290 0.2964 0.019 Uiso 1 1 d R . .
O3 O 0.39996(8) 0.40989(11) 0.23029(7) 0.0204(5) Uani 1 1 d . . .
O4 O 0.35547(9) 0.36710(13) 0.16721(8) 0.0297(6) Uani 1 1 d . . .
O5 O 0.47310(8) 0.32458(11) 0.31669(7) 0.0206(5) Uani 1 1 d . . .
O6 O 0.55042(9) 0.27225(12) 0.37147(8) 0.0287(6) Uani 1 1 d . . .
O7 O 0.55979(13) 0.25637(14) 0.26917(9) 0.0508(9) Uani 1 1 d . . .
H7A H 0.5628 0.2605 0.2435 0.076 Uiso 1 1 d RD E .
H7B H 0.5631 0.2172 0.2790 0.076 Uiso 1 1 d RD . .
O8 O 0.5000 0.42210(14) 0.2500 0.0168(6) Uani 1 2 d SU . .
O9 O 0.46753(8) 0.52063(10) 0.26509(7) 0.0166(4) Uani 1 1 d U . .
O10 O 0.43286(10) 0.40719(12) 0.38099(8) 0.0300(6) Uani 1 1 d U D .
H10A H 0.4067 0.3867 0.3818 0.036 Uiso 1 1 d R . .
O11 O 0.36587(9) 0.48449(12) 0.31306(8) 0.0238(5) Uani 1 1 d . E .
O12 O 0.43046(8) 0.54707(11) 0.33877(7) 0.0207(5) Uani 1 1 d . E .
O13 O 0.38447(9) 0.64203(12) 0.27499(7) 0.0237(5) Uani 1 1 d . E .
O14 O 0.52866(8) 0.56633(11) 0.34762(7) 0.0186(5) Uani 1 1 d . E .
O15 O 0.52059(9) 0.45197(11) 0.34878(7) 0.0205(5) Uani 1 1 d . E .
O16 O 0.48466(9) 0.68474(11) 0.36746(7) 0.0221(5) Uani 1 1 d . E .
O17 O 0.41937(9) 0.78341(13) 0.34514(8) 0.0301(6) Uani 1 1 d . . .
O18 O 0.55516(10) 0.88069(12) 0.25353(8) 0.0312(6) Uani 1 1 d . . .
H18A H 0.5694 0.9176 0.2721 0.047 Uiso 1 1 d R E .
H18B H 0.5233 0.8952 0.2408 0.047 Uiso 0.50 1 d PR . .
H18C H 0.5369 0.8894 0.2284 0.047 Uiso 0.50 1 d PR . .
O19 O 0.37457(9) 0.73970(11) 0.23616(7) 0.0220(5) Uani 1 1 d . . .
O20 O 0.53590(9) 0.84275(11) 0.34456(7) 0.0243(5) Uani 1 1 d . . .
O21 O 0.48581(10) 0.93161(13) 0.32962(8) 0.0353(7) Uani 1 1 d . . .
O22 O 0.59569(9) 0.72911(11) 0.36255(7) 0.0208(5) Uani 1 1 d . . .
O23 O 0.63432(9) 0.61214(11) 0.34137(7) 0.0227(5) Uani 1 1 d . . .
O24 O 0.36748(9) 0.84766(12) 0.18075(8) 0.0246(5) Uani 1 1 d . . .
O25 O 0.39382(10) 0.97233(12) 0.16099(9) 0.0336(6) Uani 1 1 d . . .
N1 N 0.37200(10) 0.33792(14) 0.29794(9) 0.0202(6) Uani 1 1 d . . .
N2 N 0.5000 0.4881(2) 0.2500 0.0245(8) Uani 1 2 d SU . .
N3 N 0.28704(12) 0.50106(17) 0.34650(11) 0.0383(8) Uani 1 1 d . . .
H3A H 0.2584 0.4921 0.3495 0.046 Uiso 1 1 calc R A 1
H3B H 0.2990 0.4779 0.3277 0.046 Uiso 1 1 calc R A 1
N4 N 0.29787(10) 0.75345(14) 0.17096(9) 0.0201(6) Uani 1 1 d . . .
H4B H 0.3254 0.7684 0.1859 0.024 Uiso 1 1 calc R B 1
N5 N 0.54920(10) 0.62004(13) 0.42918(9) 0.0196(6) Uani 1 1 d . . .
H5A H 0.5350 0.6249 0.4012 0.024 Uiso 0.50 1 calc PR C 1
N6 N 0.59297(11) 0.82801(14) 0.42403(9) 0.0237(6) Uani 1 1 d . . .
H6A H 0.5800 0.8105 0.3982 0.028 Uiso 1 1 calc R . .
C1 C 0.31863(13) 0.38177(16) 0.22874(11) 0.0210(7) Uani 1 1 d . . .
C2 C 0.32460(12) 0.35640(16) 0.27287(11) 0.0202(7) Uani 1 1 d . . .
C3 C 0.28483(13) 0.35178(17) 0.29161(12) 0.0270(8) Uani 1 1 d . . .
H3 H 0.2884 0.3338 0.3204 0.032 Uiso 1 1 calc R . .
C4 C 0.23947(14) 0.37393(18) 0.26744(13) 0.0295(8) Uani 1 1 d . . .
H4A H 0.2131 0.3716 0.2804 0.035 Uiso 1 1 calc R E .
C5 C 0.23388(14) 0.39933(19) 0.22422(12) 0.0307(8) Uani 1 1 d . . .
H5C H 0.2037 0.4144 0.2083 0.037 Uiso 1 1 calc R . .
C6 C 0.27299(13) 0.40250(18) 0.20440(12) 0.0270(8) Uani 1 1 d . . .
C7 C 0.36052(13) 0.38597(17) 0.20716(11) 0.0213(7) Uani 1 1 d . . .
C8 C 0.37609(13) 0.27902(17) 0.31748(11) 0.0228(7) Uani 1 1 d . . .
H8A H 0.3482 0.2527 0.3138 0.027 Uiso 1 1 calc R E .
C9 C 0.42013(13) 0.24937(16) 0.34475(11) 0.0208(7) Uani 1 1 d . . .
C10 C 0.46643(13) 0.27463(16) 0.34383(11) 0.0211(7) Uani 1 1 d . . .
C11 C 0.50716(13) 0.24308(17) 0.37316(11) 0.0241(7) Uani 1 1 d . . .
C12 C 0.50085(15) 0.18869(18) 0.40082(11) 0.0284(8) Uani 1 1 d . . .
H12 H 0.5277 0.1684 0.4196 0.034 Uiso 1 1 calc R E .
C13 C 0.45513(14) 0.16407(18) 0.40086(12) 0.0289(8) Uani 1 1 d . . .
H13 H 0.4514 0.1277 0.4196 0.035 Uiso 1 1 calc R . .
C14 C 0.41546(14) 0.19368(17) 0.37305(11) 0.0267(8) Uani 1 1 d . . .
H14 H 0.3849 0.1767 0.3729 0.032 Uiso 1 1 calc R E .
C15 C 0.59235(16) 0.2448(2) 0.40040(16) 0.0490(12) Uani 1 1 d . . .
H15A H 0.5904 0.2506 0.4311 0.073 Uiso 1 1 calc R . .
H15B H 0.6203 0.2685 0.3956 0.073 Uiso 1 1 calc R . .
H15C H 0.5949 0.1966 0.3941 0.073 Uiso 1 1 calc R . .
C16 C 0.47126(18) 0.3929(2) 0.42122(13) 0.0480(12) Uani 1 1 d U D 1
H16A H 0.4633 0.3518 0.4360 0.058 Uiso 1 1 calc R D 1
H16B H 0.5014 0.3846 0.4125 0.058 Uiso 1 1 calc R D 1
C17 C 0.4770(2) 0.4495(3) 0.45167(18) 0.0785(19) Uani 1 1 d . D 1
H17C H 0.4469 0.4587 0.4596 0.118 Uiso 1 1 calc R D 1
H17D H 0.4869 0.4896 0.4376 0.118 Uiso 1 1 calc R D 1
H17E H 0.5012 0.4385 0.4783 0.118 Uiso 1 1 calc R D 1
C18 C 0.36102(13) 0.56884(17) 0.36893(11) 0.0231(7) Uani 1 1 d . E 1
C19 C 0.31371(14) 0.55251(18) 0.37181(12) 0.0266(8) Uani 1 1 d . E 1
C20 C 0.29341(15) 0.5892(2) 0.40195(13) 0.0349(9) Uani 1 1 d . E 1
H20 H 0.2620 0.5794 0.4038 0.042 Uiso 1 1 calc R E 1
C21 C 0.31903(18) 0.6398(2) 0.42905(15) 0.0440(11) Uani 1 1 d . E 1
H21 H 0.3048 0.6633 0.4491 0.053 Uiso 1 1 calc R E 1
C22 C 0.36534(19) 0.6561(2) 0.42680(15) 0.0491(12) Uani 1 1 d . E 1
H22 H 0.3824 0.6906 0.4449 0.059 Uiso 1 1 calc R E 1
C23 C 0.38631(16) 0.61989(19) 0.39679(13) 0.0352(9) Uani 1 1 d . E 1
H23 H 0.4178 0.6301 0.3954 0.042 Uiso 1 1 calc R E 1
C24 C 0.38666(12) 0.53253(16) 0.33842(11) 0.0200(7) Uani 1 1 d . E 1
C25 C 0.30720(12) 0.66476(17) 0.22875(11) 0.0215(7) Uani 1 1 d . E 1
C26 C 0.27890(13) 0.69600(17) 0.18974(11) 0.0214(7) Uani 1 1 d . E 1
C27 C 0.23333(14) 0.67006(18) 0.17058(12) 0.0292(8) Uani 1 1 d . E 1
H27 H 0.2154 0.6891 0.1440 0.035 Uiso 1 1 calc R E 1
C28 C 0.21421(14) 0.6162(2) 0.19056(14) 0.0358(9) Uani 1 1 d . E 1
H28 H 0.1834 0.5996 0.1778 0.043 Uiso 1 1 calc R E 1
C29 C 0.24156(15) 0.58724(19) 0.22982(14) 0.0360(9) Uani 1 1 d . E 1
H29 H 0.2288 0.5517 0.2438 0.043 Uiso 1 1 calc R E 1
C30 C 0.28739(14) 0.61074(18) 0.24808(12) 0.0284(8) Uani 1 1 d . E 1
H30 H 0.3055 0.5900 0.2740 0.034 Uiso 1 1 calc R E 1
C31 C 0.35916(13) 0.68383(17) 0.24828(10) 0.0205(7) Uani 1 1 d . E 1
C32 C 0.57522(12) 0.50668(16) 0.40988(10) 0.0199(7) Uani 1 1 d . E 1
C33 C 0.58079(12) 0.56194(16) 0.44048(10) 0.0189(7) Uani 1 1 d . E 1
C34 C 0.61526(14) 0.55951(19) 0.48078(11) 0.0271(8) Uani 1 1 d . E 1
H34 H 0.6189 0.5967 0.5005 0.032 Uiso 1 1 calc R E 1
C35 C 0.64389(15) 0.5026(2) 0.49165(12) 0.0356(9) Uani 1 1 d . E 1
H35 H 0.6666 0.5008 0.5190 0.043 Uiso 1 1 calc R E 1
C36 C 0.63909(15) 0.4475(2) 0.46205(13) 0.0389(10) Uani 1 1 d . E 1
H36 H 0.6590 0.4091 0.4693 0.047 Uiso 1 1 calc R E 1
C37 C 0.60481(14) 0.44952(19) 0.42179(12) 0.0292(8) Uani 1 1 d . E 1
H37 H 0.6015 0.4120 0.4023 0.035 Uiso 1 1 calc R E 1
C38 C 0.53852(12) 0.50810(16) 0.36527(10) 0.0181(7) Uani 1 1 d . E 1
C39 C 0.53967(13) 0.66635(17) 0.45688(10) 0.0228(7) Uani 1 1 d . E 1
H39 H 0.5559 0.6634 0.4870 0.027 Uiso 1 1 calc R E 1
C40 C 0.50647(13) 0.72033(17) 0.44410(10) 0.0211(7) Uani 1 1 d . E 1
C41 C 0.47910(12) 0.72682(16) 0.39864(10) 0.0194(7) Uani 1 1 d . E 1
C42 C 0.44402(13) 0.78099(17) 0.38951(11) 0.0229(7) Uani 1 1 d . E 1
C43 C 0.43681(14) 0.82437(19) 0.42244(11) 0.0289(8) Uani 1 1 d . E 1
H43 H 0.4138 0.8591 0.4155 0.035 Uiso 1 1 calc R E 1
C44 C 0.46432(15) 0.81662(19) 0.46703(12) 0.0335(9) Uani 1 1 d . E 1
H44 H 0.4591 0.8462 0.4894 0.040 Uiso 1 1 calc R E 1
C45 C 0.49829(15) 0.76639(18) 0.47765(11) 0.0299(9) Uani 1 1 d . E 1
H45 H 0.5163 0.7621 0.5071 0.036 Uiso 1 1 calc R E 1
C46 C 0.3750(8) 0.8220(10) 0.3342(9) 0.039(4) Uani 0.50 1 d PU E 1
H46A H 0.3602 0.8168 0.3027 0.058 Uiso 0.50 1 calc PR E 1
H46B H 0.3816 0.8699 0.3409 0.058 Uiso 0.50 1 calc PR E 1
H46C H 0.3534 0.8051 0.3516 0.058 Uiso 0.50 1 calc PR E 1
C46B C 0.3833(8) 0.8366(10) 0.3329(8) 0.033(4) Uani 0.50 1 d PU E 2
H46D H 0.3577 0.8284 0.3478 0.049 Uiso 0.50 1 calc PR E 2
H46E H 0.3706 0.8361 0.3009 0.049 Uiso 0.50 1 calc PR E 2
H46F H 0.3977 0.8807 0.3419 0.049 Uiso 0.50 1 calc PR E 2
C47 C 0.53529(13) 0.92244(17) 0.40352(11) 0.0239(7) Uani 1 1 d . . .
C48 C 0.57146(13) 0.88938(18) 0.43549(11) 0.0250(8) Uani 1 1 d . E .
C49 C 0.58604(15) 0.9165(2) 0.47901(13) 0.0353(9) Uani 1 1 d . . .
H49 H 0.6095 0.8940 0.5005 0.042 Uiso 1 1 calc R E .
C50 C 0.56550(17) 0.9765(2) 0.48984(13) 0.0428(11) Uani 1 1 d . E .
H50 H 0.5755 0.9945 0.5187 0.051 Uiso 1 1 calc R . .
C51 C 0.53033(16) 1.0102(2) 0.45841(13) 0.0391(10) Uani 1 1 d . . .
H51 H 0.5170 1.0511 0.4659 0.047 Uiso 1 1 calc R E .
C52 C 0.51499(15) 0.98282(18) 0.41563(12) 0.0311(9) Uani 1 1 d . E .
H52 H 0.4908 1.0050 0.3947 0.037 Uiso 1 1 calc R . .
C53 C 0.51742(13) 0.89788(17) 0.35536(11) 0.0230(7) Uani 1 1 d . E .
C54 C 0.62992(13) 0.79523(19) 0.44798(11) 0.0265(8) Uani 1 1 d . E .
H54 H 0.6443 0.8131 0.4762 0.032 Uiso 1 1 calc R . .
C55 C 0.64999(13) 0.73444(17) 0.43440(11) 0.0224(7) Uani 1 1 d . . .
C56 C 0.69147(14) 0.7063(2) 0.46461(11) 0.0323(9) Uani 1 1 d . E .
H56 H 0.7037 0.7276 0.4922 0.039 Uiso 1 1 calc R . .
C57 C 0.71315(14) 0.6493(2) 0.45354(12) 0.0357(9) Uani 1 1 d . . .
H57 H 0.7405 0.6320 0.4733 0.043 Uiso 1 1 calc R E .
C58 C 0.69445(13) 0.61566(19) 0.41214(11) 0.0271(8) Uani 1 1 d . E .
H58 H 0.7094 0.5759 0.4050 0.033 Uiso 1 1 calc R . .
C59 C 0.65470(13) 0.64084(17) 0.38247(11) 0.0211(7) Uani 1 1 d . . .
C60 C 0.63136(12) 0.70338(16) 0.39157(10) 0.0190(7) Uani 1 1 d . E .
C61 C 0.65241(15) 0.54646(18) 0.33146(13) 0.0324(9) Uani 1 1 d . . .
H61A H 0.6858 0.5509 0.3307 0.049 Uiso 1 1 calc R E .
H61B H 0.6342 0.5306 0.3028 0.049 Uiso 1 1 calc R . .
H61C H 0.6494 0.5139 0.3543 0.049 Uiso 1 1 calc R . .
C62 C 0.29749(13) 0.84814(18) 0.12050(11) 0.0238(7) Uani 1 1 d . . .
C63 C 0.34126(13) 0.87781(17) 0.14638(11) 0.0209(7) Uani 1 1 d . E .
C64 C 0.35368(14) 0.94495(18) 0.13285(12) 0.0263(8) Uani 1 1 d . . .
C65 C 0.32728(14) 0.97538(19) 0.09442(13) 0.0330(9) Uani 1 1 d . E .
H65 H 0.3367 1.0181 0.0857 0.040 Uiso 1 1 calc R . .
C66 C 0.28603(15) 0.9428(2) 0.06791(13) 0.0369(10) Uani 1 1 d . . .
H66 H 0.2689 0.9637 0.0416 0.044 Uiso 1 1 calc R E .
C67 C 0.27136(15) 0.8814(2) 0.08074(12) 0.0329(9) Uani 1 1 d . E .
H67 H 0.2438 0.8606 0.0634 0.040 Uiso 1 1 calc R . .
C68 C 0.27872(13) 0.78643(18) 0.13380(11) 0.0244(7) Uani 1 1 d . E .
H68 H 0.2511 0.7681 0.1150 0.029 Uiso 1 1 calc R . .
C69 C 0.40630(17) 1.0417(2) 0.15193(16) 0.0461(11) Uani 1 1 d . . .
H69A H 0.3798 1.0718 0.1528 0.069 Uiso 1 1 calc R E .
H69B H 0.4132 1.0438 0.1227 0.069 Uiso 1 1 calc R . .
H69C H 0.4343 1.0558 0.1742 0.069 Uiso 1 1 calc R . .
N7 N 0.3557(2) 0.2797(4) 0.4310(2) 0.0474(19) Uani 0.50 1 d PDU F 1
O26 O 0.3470(2) 0.3267(4) 0.4016(2) 0.067(2) Uani 0.50 1 d PDU F 1
O27 O 0.3256(2) 0.2332(4) 0.4316(3) 0.062(2) Uani 0.50 1 d PDU F 1
O28 O 0.3936(3) 0.2812(6) 0.4614(3) 0.052(3) Uani 0.50 1 d PDU F 1
N7B N 0.3502(2) 0.2360(3) 0.44068(18) 0.0187(13) Uani 0.50 1 d PDU G 2
O26B O 0.32822(19) 0.2738(2) 0.40841(17) 0.0289(12) Uani 0.50 1 d PDU G 2
O27B O 0.3857(3) 0.2585(4) 0.4687(3) 0.0342(19) Uani 0.50 1 d PDU G 2
O28B O 0.33566(19) 0.1758(2) 0.44397(15) 0.0302(12) Uani 0.50 1 d PDU G 2
O1W O 0.35583(16) 0.4068(2) 0.41050(15) 0.0200(10) Uani 0.50 1 d P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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
O3 Dy1 Na1 103.20(6) . .
O3 Dy1 O8 67.23(6) . .
O3 Dy1 O9 76.53(7) . .
O3 Dy1 O10 142.53(9) . .
O3 Dy1 O11 87.17(8) . .
O3 Dy1 O12 118.66(7) . .
O3 Dy1 O15 138.37(8) . .
O3 Dy1 N1 68.59(8) . .
O3 Dy1 N2 73.43(6) . .
O3 Dy1 C24 107.58(9) . .
O5 Dy1 Na1 41.56(6) . .
O5 Dy1 O3 96.01(8) . .
O5 Dy1 O8 74.61(8) . .
O5 Dy1 O9 124.43(8) . .
O5 Dy1 O10 78.86(8) . .
O5 Dy1 O11 137.59(8) . .
O5 Dy1 O12 145.31(8) . .
O5 Dy1 O15 75.52(8) . .
O5 Dy1 N1 71.09(8) . .
O5 Dy1 N2 98.78(9) . .
O5 Dy1 C24 145.59(8) . .
O8 Dy1 Na1 45.80(4) . .
O8 Dy1 N2 26.03(9) . .
O8 Dy1 C24 137.46(9) . .
O9 Dy1 Na1 85.91(6) . .
O9 Dy1 O8 51.43(8) . .
O9 Dy1 O10 136.67(8) . .
O9 Dy1 O11 97.51(8) . .
O9 Dy1 O12 67.56(7) . .
O9 Dy1 O15 75.58(7) . .
O9 Dy1 N1 143.49(8) . .
O9 Dy1 N2 25.86(8) . .
O9 Dy1 C24 86.04(8) . .
O10 Dy1 Na1 97.16(7) . .
O10 Dy1 O8 142.48(7) . .
O10 Dy1 O12 74.25(7) . .
O10 Dy1 O15 76.79(8) . .
O10 Dy1 N1 74.74(9) . .
O10 Dy1 N2 143.96(7) . .
O10 Dy1 C24 67.13(8) . .
O11 Dy1 Na1 169.60(6) . .
O11 Dy1 O8 142.50(7) . .
O11 Dy1 O10 73.60(8) . .
O11 Dy1 O12 52.45(8) . .
O11 Dy1 O15 126.62(8) . .
O11 Dy1 N1 70.93(8) . .
O11 Dy1 N2 122.36(8) . .
O11 Dy1 C24 26.46(8) . .
O12 Dy1 Na1 121.10(6) . .
O12 Dy1 O8 115.98(8) . .
O12 Dy1 N1 120.79(8) . .
O12 Dy1 N2 90.53(9) . .
O12 Dy1 C24 26.83(8) . .
O15 Dy1 Na1 44.69(6) . .
O15 Dy1 O8 71.25(5) . .
O15 Dy1 O12 77.30(7) . .
O15 Dy1 N1 139.42(8) . .
O15 Dy1 N2 67.96(5) . .
O15 Dy1 C24 100.66(9) . .
N1 Dy1 Na1 111.81(7) . .
N1 Dy1 O8 119.43(8) . .
N1 Dy1 N2 139.05(8) . .
N1 Dy1 C24 94.25(9) . .
N2 Dy1 Na1 62.68(6) . .
C24 Dy1 Na1 145.31(7) . .
C24 Dy1 N2 111.58(10) . .
Dy2 Dy2 Dy3 60.094(4) 2_655 2_655
Dy2 Dy2 Dy3 60.931(4) 2_655 .
Dy3 Dy2 Dy3 58.932(5) . 2_655
O1 Dy2 Dy2 76.92(5) . 2_655
O1 Dy2 Dy3 35.44(5) . 2_655
O1 Dy2 Dy3 36.20(5) . .
O1 Dy2 O2 68.95(7) . 2_655
O1 Dy2 O9 143.29(7) . .
O1 Dy2 O12 144.54(7) . .
O1 Dy2 O14 123.82(7) . .
O2 Dy2 Dy2 37.75(5) . 2_655
O2 Dy2 Dy2 37.09(5) 2_655 2_655
O2 Dy2 Dy3 76.67(5) 2_655 .
O2 Dy2 Dy3 36.60(5) . .
O2 Dy2 Dy3 76.34(5) . 2_655
O2 Dy2 Dy3 36.22(5) 2_655 2_655
O2 Dy2 O1 69.65(7) . .
O2 Dy2 O2 71.02(8) . 2_655
O2 Dy2 O9 89.89(7) . .
O2 Dy2 O9 75.76(7) 2_655 .
O2 Dy2 O12 139.90(7) . .
O2 Dy2 O12 130.32(7) 2_655 .
O2 Dy2 O13 147.00(7) . .
O2 Dy2 O14 71.86(7) . .
O9 Dy2 Dy2 68.80(5) . 2_655
O9 Dy2 Dy3 111.67(5) . 2_655
O9 Dy2 Dy3 125.57(5) . .
O9 Dy2 O12 68.91(7) . .
O12 Dy2 Dy2 137.63(5) . 2_655
O12 Dy2 Dy3 152.95(5) . .
O12 Dy2 Dy3 142.50(5) . 2_655
O13 Dy2 Dy2 113.91(5) . 2_655
O13 Dy2 Dy3 72.42(5) . 2_655
O13 Dy2 Dy3 126.01(5) . .
O13 Dy2 O1 90.15(8) . .
O13 Dy2 O2 77.53(8) . 2_655
O13 Dy2 O9 91.89(8) . .
O13 Dy2 O12 70.10(7) . .
O13 Dy2 O14 139.79(8) . .
O14 Dy2 Dy2 95.91(5) . 2_655
O14 Dy2 Dy3 91.43(5) . .
O14 Dy2 Dy3 147.78(5) . 2_655
O14 Dy2 O2 131.28(7) . 2_655
O14 Dy2 O9 73.74(7) . .
O14 Dy2 O12 69.69(8) . .
O16 Dy2 Dy2 133.94(6) . 2_655
O16 Dy2 Dy3 74.80(6) . .
O16 Dy2 Dy3 107.97(6) . 2_655
O16 Dy2 O1 74.51(7) . .
O16 Dy2 O2 97.85(8) . .
O16 Dy2 O2 143.42(7) . 2_655
O16 Dy2 O9 140.33(7) . .
O16 Dy2 O12 80.84(8) . .
O16 Dy2 O13 101.57(8) . .
O16 Dy2 O14 71.98(8) . .
Dy2 Dy3 Dy2 58.975(5) . 2_655
Dy3 Dy3 Dy2 60.115(4) 2_655 2_655
Dy3 Dy3 Dy2 60.953(5) 2_655 .
O1 Dy3 Dy2 75.55(5) . 2_655
O1 Dy3 Dy2 36.62(5) . .
O1 Dy3 Dy2 76.27(5) 2_655 .
O1 Dy3 Dy2 35.93(5) 2_655 2_655
O1 Dy3 Dy3 36.93(5) 2_655 2_655
O1 Dy3 Dy3 36.85(5) . 2_655
O1 Dy3 O1 69.74(9) 2_655 .
O1 Dy3 O2 69.63(7) . .
O1 Dy3 O2 69.59(7) 2_655 .
O1 Dy3 O18 73.38(8) 2_655 .
O1 Dy3 O18 99.78(8) . .
O1 Dy3 O24 150.88(7) . 2_655
O1 Dy3 O24 125.24(8) 2_655 2_655
O2 Dy3 Dy2 36.41(5) . 2_655
O2 Dy3 Dy2 36.15(5) . .
O2 Dy3 Dy3 77.75(5) . 2_655
O2 Dy3 O18 142.89(7) . .
O2 Dy3 O24 136.66(8) . 2_655
O18 Dy3 Dy2 134.13(6) . .
O18 Dy3 Dy2 107.13(6) . 2_655
O18 Dy3 Dy3 74.19(6) . 2_655
O18 Dy3 O24 66.65(8) . 2_655
O19 Dy3 Dy2 115.58(5) 2_655 .
O19 Dy3 Dy2 65.89(5) 2_655 2_655
O19 Dy3 Dy3 115.23(6) 2_655 2_655
O19 Dy3 O1 141.44(7) 2_655 .
O19 Dy3 O1 78.30(8) 2_655 2_655
O19 Dy3 O2 79.53(8) 2_655 .
O19 Dy3 O18 90.91(9) 2_655 .
O19 Dy3 O24 66.85(8) 2_655 2_655
O20 Dy3 Dy2 150.07(6) . 2_655
O20 Dy3 Dy2 94.37(6) . .
O20 Dy3 Dy3 96.37(6) . 2_655
O20 Dy3 O1 74.66(8) . .
O20 Dy3 O1 130.99(8) . 2_655
O20 Dy3 O2 126.40(8) . .
O20 Dy3 O18 80.88(8) . .
O20 Dy3 O19 143.88(8) . 2_655
O20 Dy3 O22 73.03(8) . .
O20 Dy3 O24 77.69(8) . 2_655
O22 Dy3 Dy2 81.39(6) . .
O22 Dy3 Dy2 112.13(5) . 2_655
O22 Dy3 Dy3 140.29(6) . 2_655
O22 Dy3 O1 147.86(7) . 2_655
O22 Dy3 O1 104.48(8) . .
O22 Dy3 O2 78.72(7) . .
O22 Dy3 O18 137.73(8) . .
O22 Dy3 O19 91.13(8) . 2_655
O22 Dy3 O24 75.55(8) . 2_655
O24 Dy3 Dy2 156.90(5) 2_655 .
O24 Dy3 Dy2 132.17(5) 2_655 2_655
O24 Dy3 Dy3 140.84(5) 2_655 2_655
Dy1 Na1 Dy1 91.80(3) . 2_655
O3 Na1 Dy1 113.98(7) 2_655 .
O3 Na1 Dy1 32.11(6) 2_655 2_655
O3 Na1 O4 52.82(8) 2_655 2_655
O3 Na1 O6 146.52(10) 2_655 .
O3 Na1 O8 69.15(7) 2_655 .
O3 Na1 O15 102.18(9) 2_655 .
O3 Na1 C7 27.15(8) 2_655 2_655
O4 Na1 Dy1 83.94(6) 2_655 2_655
O4 Na1 Dy1 148.52(7) 2_655 .
O4 Na1 C7 26.74(8) 2_655 2_655
O5 Na1 Dy1 39.30(6) . .
O5 Na1 Dy1 113.37(7) . 2_655
O5 Na1 O3 144.67(10) . 2_655
O5 Na1 O4 162.51(9) . 2_655
O5 Na1 O6 67.59(9) . .
O5 Na1 O7 92.71(11) . .
O5 Na1 O8 76.11(7) . .
O5 Na1 O15 73.33(8) . .
O5 Na1 C7 169.78(10) . 2_655
O6 Na1 Dy1 98.77(7) . .
O6 Na1 Dy1 160.15(8) . 2_655
O6 Na1 O4 95.31(9) . 2_655
O6 Na1 O8 143.68(9) . .
O6 Na1 O15 96.31(9) . .
O6 Na1 C7 119.55(10) . 2_655
O7 Na1 Dy1 75.07(7) . 2_655
O7 Na1 Dy1 119.76(10) . .
O7 Na1 O3 84.61(10) . 2_655
O7 Na1 O4 89.31(11) . 2_655
O7 Na1 O6 85.09(10) . .
O7 Na1 O8 95.66(9) . .
O7 Na1 O15 164.02(12) . .
O7 Na1 C7 81.11(12) . 2_655
O8 Na1 Dy1 42.20(2) . 2_655
O8 Na1 Dy1 49.71(2) . .
O8 Na1 O4 120.99(8) . 2_655
O8 Na1 C7 96.30(8) . 2_655
O15 Na1 Dy1 44.27(6) . .
O15 Na1 Dy1 102.95(6) . 2_655
O15 Na1 O4 106.35(9) . 2_655
O15 Na1 O8 73.80(7) . .
O15 Na1 C7 111.50(10) . 2_655
C7 Na1 Dy1 138.61(8) 2_655 .
C7 Na1 Dy1 57.26(7) 2_655 2_655
Dy3 O1 Dy2 107.18(8) . .
Dy3 O1 Dy2 108.63(8) 2_655 .
Dy3 O1 Dy3 106.23(8) 2_655 .
Dy2 O2 Dy2 105.17(8) . 2_655
Dy2 O2 Dy3 107.26(8) . .
Dy3 O2 Dy2 107.37(8) . 2_655
Dy1 O3 Na1 114.76(10) . 2_655
C7 O3 Dy1 140.0(2) . .
C7 O3 Na1 94.0(2) . 2_655
C7 O4 Na1 85.7(2) . 2_655
Dy1 O5 Na1 99.14(9) . .
C10 O5 Dy1 130.3(2) . .
C10 O5 Na1 119.1(2) . .
C11 O6 Na1 118.6(2) . .
C11 O6 C15 117.3(3) . .
C15 O6 Na1 123.5(2) . .
Dy1 O8 Dy1 174.05(12) 2_655 .
Na1 O8 Dy1 84.49(4) . .
Na1 O8 Dy1 98.65(5) 2_655 .
Na1 O8 Dy1 84.49(4) 2_655 2_655
Na1 O8 Dy1 98.65(5) . 2_655
Na1 O8 Na1 116.75(12) 2_655 .
N2 O8 Dy1 87.03(6) . 2_655
N2 O8 Dy1 87.03(6) . .
N2 O8 Na1 121.63(6) . .
N2 O8 Na1 121.63(6) . 2_655
Dy2 O9 Dy1 115.86(8) . .
N2 O9 Dy1 100.17(19) . .
N2 O9 Dy2 130.6(2) . .
C16 O10 Dy1 129.4(2) . .
C24 O11 Dy1 95.8(2) . .
Dy2 O12 Dy1 107.17(8) . .
C24 O12 Dy1 89.03(19) . .
C24 O12 Dy2 133.7(2) . .
C31 O13 Dy2 129.7(2) . .
C38 O14 Dy2 144.6(2) . .
Dy1 O15 Na1 91.04(8) . .
C38 O15 Dy1 128.5(2) . .
C38 O15 Na1 133.5(2) . .
C41 O16 Dy2 158.2(2) . .
C42 O17 C46 117.8(11) . .
C42 O17 C46B 116.6(10) . .
C46 O17 C46B 15.0(14) . .
C31 O19 Dy3 135.6(2) . 2_655
C53 O20 Dy3 151.3(2) . .
C60 O22 Dy3 153.1(2) . .
C59 O23 C61 117.2(3) . .
C63 O24 Dy3 144.6(2) . 2_655
C64 O25 C69 116.8(3) . .
C2 N1 Dy1 117.20(19) . .
C8 N1 Dy1 126.3(2) . .
C8 N1 C2 116.3(3) . .
Dy1 N2 Dy1 133.88(15) 2_655 .
O8 N2 Dy1 66.94(7) . 2_655
O8 N2 Dy1 66.94(7) . .
O8 N2 O9 119.26(19) . .
O8 N2 O9 119.26(19) . 2_655
O9 N2 Dy1 166.18(13) . 2_655
O9 N2 Dy1 53.97(12) 2_655 2_655
O9 N2 Dy1 53.97(12) . .
O9 N2 Dy1 166.18(14) 2_655 .
O9 N2 O9 121.5(4) 2_655 .
C68 N4 C26 128.0(3) . .
C39 N5 C33 126.8(3) . .
C54 N6 C48 127.7(3) . .
C2 C1 C7 120.8(3) . .
C6 C1 C2 119.9(3) . .
C6 C1 C7 119.3(3) . .
C1 C2 N1 119.1(3) . .
C3 C2 N1 121.5(3) . .
C3 C2 C1 119.4(3) . .
C2 C3 C4 120.4(3) . .
C5 C4 C3 120.0(4) . .
C4 C5 C6 120.5(4) . .
C5 C6 C1 119.8(3) . .
O3 C7 Na1 58.86(18) . 2_655
O3 C7 C1 118.0(3) . .
O4 C7 Na1 67.6(2) . 2_655
O4 C7 O3 122.4(3) . .
O4 C7 C1 119.6(3) . .
C1 C7 Na1 159.7(2) . 2_655
N1 C8 C9 126.3(3) . .
C10 C9 C8 122.4(3) . .
C14 C9 C8 117.5(3) . .
C14 C9 C10 120.0(3) . .
O5 C10 C9 122.7(3) . .
O5 C10 C11 119.6(3) . .
C9 C10 C11 117.7(3) . .
O6 C11 C10 114.0(3) . .
O6 C11 C12 125.6(3) . .
C12 C11 C10 120.4(3) . .
C13 C12 C11 121.1(3) . .
C14 C13 C12 119.6(3) . .
C13 C14 C9 121.2(3) . .
C17 C16 O10 110.6(5) . .
C19 C18 C24 123.4(3) . .
C23 C18 C19 119.2(3) . .
C23 C18 C24 117.4(3) . .
N3 C19 C18 122.6(3) . .
N3 C19 C20 118.8(4) . .
C20 C19 C18 118.6(4) . .
C21 C20 C19 121.2(4) . .
C22 C21 C20 120.9(4) . .
C21 C22 C23 118.8(4) . .
C18 C23 C22 121.3(4) . .
O11 C24 Dy1 57.75(17) . .
O11 C24 O12 118.9(3) . .
O11 C24 C18 120.2(3) . .
O12 C24 Dy1 64.14(17) . .
O12 C24 C18 120.8(3) . .
C18 C24 Dy1 160.0(2) . .
C26 C25 C31 123.0(3) . .
C30 C25 C26 118.4(3) . .
C30 C25 C31 118.5(3) . .
C25 C26 N4 118.9(3) . .
C27 C26 N4 121.5(3) . .
C27 C26 C25 119.6(3) . .
C28 C27 C26 120.9(3) . .
C27 C28 C29 119.2(4) . .
C30 C29 C28 120.4(3) . .
C29 C30 C25 121.4(3) . .
O13 C31 O19 124.2(3) . .
O13 C31 C25 117.5(3) . .
O19 C31 C25 118.2(3) . .
C33 C32 C38 122.1(3) . .
C37 C32 C33 117.8(3) . .
C37 C32 C38 120.0(3) . .
C32 C33 N5 118.2(3) . .
C34 C33 N5 121.1(3) . .
C34 C33 C32 120.8(3) . .
C35 C34 C33 120.2(3) . .
C34 C35 C36 120.1(3) . .
C37 C36 C35 120.0(4) . .
C36 C37 C32 121.1(4) . .
O14 C38 O15 125.3(3) . .
O14 C38 C32 116.2(3) . .
O15 C38 C32 118.5(3) . .
N5 C39 C40 124.2(3) . .
C39 C40 C41 121.0(3) . .
C39 C40 C45 118.8(3) . .
C45 C40 C41 120.1(3) . .
O16 C41 C40 121.8(3) . .
O16 C41 C42 121.3(3) . .
C40 C41 C42 116.8(3) . .
O17 C42 C41 112.9(3) . .
C43 C42 O17 125.2(3) . .
C43 C42 C41 121.8(3) . .
C42 C43 C44 120.1(3) . .
C45 C44 C43 120.7(3) . .
C44 C45 C40 120.5(3) . .
C48 C47 C53 124.0(3) . .
C52 C47 C48 118.9(3) . .
C52 C47 C53 117.1(3) . .
C47 C48 N6 120.1(3) . .
C49 C48 N6 120.0(3) . .
C49 C48 C47 119.9(3) . .
C50 C49 C48 119.8(4) . .
C49 C50 C51 120.9(3) . .
C50 C51 C52 119.5(3) . .
C51 C52 C47 121.0(4) . .
O20 C53 C47 116.8(3) . .
O21 C53 O20 124.4(3) . .
O21 C53 C47 118.7(3) . .
N6 C54 C55 124.9(3) . .
C54 C55 C56 117.3(3) . .
C54 C55 C60 122.2(3) . .
C60 C55 C56 120.4(3) . .
C57 C56 C55 120.7(3) . .
C56 C57 C58 120.3(3) . .
C59 C58 C57 120.7(3) . .
O23 C59 C60 113.7(3) . .
C58 C59 O23 124.8(3) . .
C58 C59 C60 121.4(3) . .
O22 C60 C55 122.3(3) . .
O22 C60 C59 121.4(3) . .
C55 C60 C59 116.3(3) . .
C67 C62 C63 120.2(3) . .
C68 C62 C63 121.5(3) . .
C68 C62 C67 118.3(3) . .
O24 C63 C62 122.4(3) . .
O24 C63 C64 121.0(3) . .
C62 C63 C64 116.5(3) . .
O25 C64 C63 113.4(3) . .
O25 C64 C65 125.6(3) . .
C65 C64 C63 121.0(3) . .
C64 C65 C66 121.0(3) . .
C67 C66 C65 120.0(3) . .
C66 C67 C62 120.8(4) . .
N4 C68 C62 123.9(3) . .
O27 N7 O26 120.7(6) . .
O27 N7 O28 118.9(6) . .
O28 N7 O26 120.3(6) . .
N7 O26 O1W 125.9(6) . .
O27B N7B O26B 120.4(5) . .
O27B N7B O28B 120.3(5) . .
O28B N7B O26B 119.3(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 Na1 3.5020(14) .
Dy1 O3 2.312(2) .
Dy1 O5 2.247(2) .
Dy1 O8 2.6838(2) .
Dy1 O9 2.393(2) .
Dy1 O10 2.418(2) .
Dy1 O11 2.405(2) .
Dy1 O12 2.547(2) .
Dy1 O15 2.445(2) .
Dy1 N1 2.574(3) .
Dy1 N2 2.9130(16) .
Dy1 C24 2.830(3) .
Dy2 Dy2 3.7489(3) 2_655
Dy2 Dy3 3.8237(2) 2_655
Dy2 Dy3 3.7922(3) .
Dy2 O1 2.368(2) .
Dy2 O2 2.342(2) .
Dy2 O2 2.378(2) 2_655
Dy2 O9 2.379(2) .
Dy2 O12 2.479(2) .
Dy2 O13 2.354(2) .
Dy2 O14 2.372(2) .
Dy2 O16 2.309(2) .
Dy3 Dy2 3.8237(2) 2_655
Dy3 Dy3 3.7464(3) 2_655
Dy3 O1 2.340(2) 2_655
Dy3 O1 2.344(2) .
Dy3 O2 2.367(2) .
Dy3 O18 2.383(2) .
Dy3 O19 2.332(2) 2_655
Dy3 O20 2.317(2) .
Dy3 O22 2.324(2) .
Dy3 O24 2.509(2) 2_655
Na1 Dy1 3.9499(13) 2_655
Na1 O3 2.377(3) 2_655
Na1 O4 2.569(3) 2_655
Na1 O5 2.353(3) .
Na1 O6 2.391(3) .
Na1 O7 2.362(3) .
Na1 O8 2.522(2) .
Na1 O15 2.463(3) .
Na1 C7 2.771(4) 2_655
O1 Dy3 2.340(2) 2_655
O2 Dy2 2.378(2) 2_655
O3 Na1 2.377(3) 2_655
O3 C7 1.268(4) .
O4 Na1 2.569(3) 2_655
O4 C7 1.250(4) .
O5 C10 1.318(4) .
O6 C11 1.368(4) .
O6 C15 1.414(4) .
O8 Dy1 2.6838(2) 2_655
O8 Na1 2.522(2) 2_655
O8 N2 1.280(5) .
O9 N2 1.291(3) .
O10 C16 1.469(5) .
O11 C24 1.267(4) .
O12 C24 1.277(4) .
O13 C31 1.253(4) .
O14 C38 1.255(4) .
O15 C38 1.257(4) .
O16 C41 1.292(4) .
O17 C42 1.374(4) .
O17 C46 1.44(2) .
O17 C46B 1.44(2) .
O19 Dy3 2.332(2) 2_655
O19 C31 1.257(4) .
O20 C53 1.269(4) .
O21 C53 1.236(4) .
O22 C60 1.284(4) .
O23 C59 1.372(4) .
O23 C61 1.433(4) .
O24 Dy3 2.509(2) 2_655
O24 C63 1.279(4) .
O25 C64 1.368(4) .
O25 C69 1.435(4) .
N1 C2 1.434(4) .
N1 C8 1.282(4) .
N2 Dy1 2.9130(16) 2_655
N2 O9 1.291(3) 2_655
N3 C19 1.377(5) .
N4 C26 1.417(4) .
N4 C68 1.307(4) .
N5 C33 1.433(4) .
N5 C39 1.306(4) .
N6 C48 1.420(4) .
N6 C54 1.300(4) .
C1 C2 1.408(4) .
C1 C6 1.398(5) .
C1 C7 1.495(5) .
C2 C3 1.387(5) .
C3 C4 1.398(5) .
C4 C5 1.384(5) .
C5 C6 1.389(5) .
C7 Na1 2.771(4) 2_655
C8 C9 1.453(5) .
C9 C10 1.414(5) .
C9 C14 1.409(4) .
C10 C11 1.428(5) .
C11 C12 1.390(5) .
C12 C13 1.388(5) .
C13 C14 1.372(5) .
C16 C17 1.424(7) .
C18 C19 1.407(5) .
C18 C23 1.392(5) .
C18 C24 1.489(5) .
C19 C20 1.393(5) .
C20 C21 1.378(6) .
C21 C22 1.374(6) .
C22 C23 1.395(5) .
C25 C26 1.410(4) .
C25 C30 1.386(5) .
C25 C31 1.508(5) .
C26 C27 1.388(5) .
C27 C28 1.385(5) .
C28 C29 1.387(5) .
C29 C30 1.373(5) .
C32 C33 1.407(4) .
C32 C37 1.389(5) .
C32 C38 1.512(4) .
C33 C34 1.385(5) .
C34 C35 1.367(5) .
C35 C36 1.386(5) .
C36 C37 1.381(5) .
C39 C40 1.404(5) .
C40 C41 1.431(4) .
C40 C45 1.420(5) .
C41 C42 1.432(5) .
C42 C43 1.364(5) .
C43 C44 1.412(5) .
C44 C45 1.358(5) .
C47 C48 1.399(5) .
C47 C52 1.394(5) .
C47 C53 1.517(4) .
C48 C49 1.399(5) .
C49 C50 1.378(5) .
C50 C51 1.380(6) .
C51 C52 1.384(5) .
C54 C55 1.414(5) .
C55 C56 1.427(5) .
C55 C60 1.426(4) .
C56 C57 1.348(5) .
C57 C58 1.413(5) .
C58 C59 1.365(5) .
C59 C60 1.441(5) .
C62 C63 1.432(5) .
C62 C67 1.423(5) .
C62 C68 1.409(5) .
C63 C64 1.435(5) .
C64 C65 1.371(5) .
C65 C66 1.411(6) .
C66 C67 1.350(5) .
N7 O26 1.264(6) .
N7 O27 1.249(6) .
N7 O28 1.249(6) .
O26 O1W 1.588(8) .
N7B O26B 1.271(5) .
N7B O27B 1.241(6) .
N7B O28B 1.250(5) .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.005 0.528 0.240 3520.2 458.2
2 0.062 0.844 0.484 10.3 -0.4
3 0.062 0.156 0.984 10.3 -0.2
4 0.437 0.344 0.016 10.3 -0.3
5 0.437 0.656 0.516 10.3 0.0
6 0.562 0.344 0.484 10.3 -0.4
7 0.562 0.656 0.984 10.3 -0.2
8 0.937 0.844 0.016 10.3 -0.3
9 0.937 0.156 0.516 10.3 0.0
