#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:53:43 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179352 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/49/4324988.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_4324988
loop_
_publ_author_name
'Gui-Lin Zhuang'
'Wen-Xian Chen'
'Hai-Xia Zhao'
'Xiang-Jian Kong'
'La-Sheng Long'
'Rong-Bin Huang'
'Lan-Sun Zheng'
_publ_section_title
;
 Two Three-Dimensional 2p-3d-4f Heterometallic Frameworks Featuring a
 Ln6Cu24Na12 Cluster as a Node
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3843
_journal_page_last               3845
_journal_paper_doi               10.1021/ic200077r
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C60 H288 Cl5 Cu24 Dy6 N25 Na12 O207'
_chemical_formula_weight         7626.24
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   29.4923(4)
_cell_length_b                   29.4923(4)
_cell_length_c                   36.1205(7)
_cell_measurement_temperature    173(2)
_cell_volume                     27208.3(7)
_computing_cell_refinement       'CrysAlis RED'
_computing_data_collection       'CrysAlis CCD'
_computing_data_reduction        'CrysAlis RED'
_computing_molecular_graphics    'SHELXTL V.5.0 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CrysAlis CCD, Oxford Diffraction Ltd.'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1482
_diffrn_reflns_av_sigmaI/netI    0.0878
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            83675
_diffrn_reflns_theta_full        25.98
_diffrn_reflns_theta_max         25.98
_diffrn_reflns_theta_min         2.76
_exptl_absorpt_coefficient_mu    2.730
_exptl_absorpt_correction_T_max  0.4947
_exptl_absorpt_correction_T_min  0.4081
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlis RED'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.396
_exptl_crystal_description       block
_exptl_crystal_F_000             11364
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         2.235
_refine_diff_density_min         -1.829
_refine_diff_density_rms         0.225
_refine_ls_extinction_coef       0.000261(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     466
_refine_ls_number_reflns         11856
_refine_ls_number_restraints     88
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.1067
_refine_ls_R_factor_gt           0.0808
_refine_ls_shift/su_max          0.179
_refine_ls_shift/su_mean         0.019
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1380P)²+193.5099P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2155
_refine_ls_wR_factor_ref         0.2258
_reflns_number_gt                8366
_reflns_number_total             11856
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic200077r_si_003.cif
_cod_data_source_block           complex2
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               4324988
#BEGIN Tags that were not found in dictionaries:
_platon_complex2_details
;
SQUEEZE removed 5 disordered NO3-, 4 disordered Cl- and
48 disordered water molecules per formula unit. This valueis 
calculated based upon elemental analysis data.
;
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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 0.919589(9) 0.842954(8) 0.078476(7) 0.01877(6) Uani 1 1 d . . .
Cu1 Cu 0.83989(4) 0.79097(3) 0.15871(3) 0.0586(3) Uani 1 1 d . A .
Cu2 Cu 0.80438(4) 0.71830(4) 0.08595(3) 0.0583(3) Uani 1 1 d . A .
Cu3 Cu 1.03766(2) 0.96166(2) 0.075837(17) 0.01707(15) Uani 1 1 d . A .
Cu4 Cu 1.00001(2) 0.88575(2) 0.000355(16) 0.01679(15) Uani 1 1 d . . .
Na1 Na 0.91371(10) 0.71719(11) 0.08638(8) 0.0563(8) Uani 1 1 d . . .
Na2 Na 0.94977(12) 0.79068(10) 0.16055(8) 0.0566(9) Uani 1 1 d . . .
Cl1 Cl 1.0000 1.0000 0.0000 0.0569(13) Uani 1 6 d S . .
N1 N 0.8094(4) 0.8245(3) 0.18994(19) 0.111(4) Uani 1 1 d D . .
N2 N 0.7470(4) 0.6878(3) 0.0516(2) 0.141(4) Uani 1 1 d . . .
N3 N 0.7669(3) 0.8866(2) 0.05934(17) 0.352(13) Uani 1 1 d D . .
N4 N 1.0000 1.0000 0.1777(8) 0.156(11) Uani 1 3 d S . .
C1 C 0.7986(7) 0.7494(7) 0.2245(6) 0.0762(7) Uani 0.50 1 d PU A 1
C2 C 0.8088(13) 0.8028(8) 0.2268(4) 0.3220(7) Uani 0.50 1 d PDU A 1
H2A H 0.8430 0.8249 0.2390 0.386 Uiso 0.50 1 calc PR A 1
H2B H 0.7814 0.8036 0.2422 0.386 Uiso 0.50 1 calc PR A 1
O1 O 0.7817(6) 0.7220(6) 0.2503(5) 0.1008(7) Uani 0.50 1 d PU . 1
C1' C 0.7638(9) 0.7380(9) 0.2131(7) 0.0973(7) Uani 0.50 1 d PU A 2
C2' C 0.7813(16) 0.8001(16) 0.2163(13) 0.2169(7) Uani 0.50 1 d PU A 2
H2'A H 0.7498 0.8039 0.2166 0.260 Uiso 0.50 1 calc PR A 2
H2'B H 0.8006 0.8146 0.2398 0.260 Uiso 0.50 1 calc PR A 2
O1' O 0.7381(6) 0.6981(5) 0.2300(5) 0.145(5) Uani 0.50 1 d P . 2
C3 C 0.7926(15) 0.8885(16) 0.1713(13) 0.2137(7) Uani 0.50 1 d PU A 1
H3A H 0.7684 0.8820 0.1918 0.321 Uiso 0.50 1 calc PR A 1
H3B H 0.7736 0.8650 0.1507 0.321 Uiso 0.50 1 calc PR A 1
H3C H 0.8080 0.9249 0.1632 0.321 Uiso 0.50 1 calc PR A 1
C3' C 0.814(2) 0.9122(19) 0.1913(15) 0.2674(7) Uani 0.50 1 d PU A 2
H3'A H 0.7948 0.9014 0.2147 0.401 Uiso 0.50 1 calc PR A 2
H3'B H 0.7911 0.9118 0.1716 0.401 Uiso 0.50 1 calc PR A 2
H3'C H 0.8442 0.9477 0.1939 0.401 Uiso 0.50 1 calc PR A 2
C4 C 0.8312(5) 0.8794(5) 0.1828(4) 0.1066(6) Uani 1 1 d U A .
C5 C 0.8561(4) 0.8882(3) 0.1424(2) 0.074(3) Uani 1 1 d . . .
C6 C 0.7380(8) 0.6143(9) 0.0910(7) 0.0910(7) Uani 0.50 1 d PU B 1
C7 C 0.7198(13) 0.6260(13) 0.0511(10) 0.1643(7) Uani 0.50 1 d PU B 1
H7A H 0.7327 0.6137 0.0303 0.197 Uiso 0.50 1 calc PR B 1
H7B H 0.6812 0.6094 0.0494 0.197 Uiso 0.50 1 calc PR B 1
O5 O 0.7109(7) 0.5698(7) 0.1002(6) 0.1245(7) Uani 0.50 1 d PU . 1
O5' O 0.6920(5) 0.5846(6) 0.1152(4) 0.0921(7) Uani 0.50 1 d PU . 2
C6' C 0.7170(6) 0.6210(7) 0.0937(5) 0.0628(7) Uani 0.50 1 d PU B 2
C7' C 0.6994(8) 0.6479(8) 0.0718(7) 0.0907(7) Uani 0.50 1 d PU B 2
H7'A H 0.6846 0.6650 0.0874 0.109 Uiso 0.50 1 calc PR B 2
H7'B H 0.6722 0.6239 0.0542 0.109 Uiso 0.50 1 calc PR B 2
C8 C 0.7526(5) 0.7192(5) 0.0229(3) 0.160(7) Uani 1 1 d . B .
H8A H 0.7670 0.7033 0.0054 0.192 Uiso 1 1 calc R . .
C9 C 0.7125(5) 0.7179(7) -0.0031(4) 0.232(9) Uani 1 1 d . . .
H9A H 0.6826 0.6823 -0.0044 0.348 Uiso 1 1 calc R B .
H9B H 0.7280 0.7290 -0.0278 0.348 Uiso 1 1 calc R . .
H9C H 0.7008 0.7418 0.0058 0.348 Uiso 1 1 calc R . .
C10 C 0.8014(3) 0.7720(3) 0.0249(2) 0.055(2) Uani 1 1 d . . .
O2 O 0.8071(3) 0.7347(2) 0.19458(17) 0.077(2) Uani 1 1 d . . .
O3 O 0.86949(15) 0.85472(15) 0.12858(11) 0.0353(11) Uani 1 1 d . A .
O4 O 0.87200(15) 0.93421(14) 0.12819(12) 0.0341(11) Uani 1 1 d . . .
O6 O 0.7672(2) 0.6504(2) 0.11211(18) 0.069(2) Uani 1 1 d . . .
O7 O 0.83305(16) 0.77893(14) 0.05390(13) 0.0381(13) Uani 1 1 d . A .
O8 O 0.80901(14) 0.80549(16) 0.00056(12) 0.0344(11) Uani 1 1 d . B .
O9 O 0.8668(3) 0.7622(3) 0.1196(2) 0.109(3) Uani 1 1 d . . .
O10 O 0.92510(12) 0.84990(12) 0.01176(10) 0.0178(9) Uani 1 1 d . . .
O11 O 0.96725(11) 0.93523(12) 0.09601(9) 0.0173(8) Uani 1 1 d . . .
O12 O 1.00925(12) 0.89191(12) 0.05418(10) 0.0195(9) Uani 1 1 d . . .
O13 O 0.88297(12) 0.89292(12) 0.05315(10) 0.0183(8) Uani 1 1 d . . .
O14 O 0.7539(4) 0.8686(4) 0.02282(17) 0.154(4) Uani 1 1 d D . .
O15 O 0.7760(2) 0.8489(2) 0.0746(3) 0.132(3) Uani 1 1 d D . .
O16 O 0.7812(3) 0.9318(3) 0.0802(2) 0.157(5) Uani 1 1 d D . .
O17 O 0.9643(4) 0.9403(4) 0.1743(2) 0.173(4) Uani 1 1 d . . .
O1W O 1.0018(5) 0.7543(3) 0.1266(3) 0.198(6) Uani 1 1 d . . .
O2W O 0.9247(3) 0.8248(3) 0.19691(19) 0.124(4) Uani 1 1 d . . .
O3W O 0.8530(3) 0.6802(3) 0.0520(2) 0.108(3) Uani 1 1 d . . .
O4W O 0.9004(3) 0.7043(3) 0.1445(3) 0.127(3) Uani 1 1 d . . .
O5W O 0.94066(17) 0.77836(15) 0.05842(13) 0.0420(12) Uani 1 1 d . . .
O6W O 0.97609(18) 0.84970(16) 0.12850(12) 0.0421(13) Uani 1 1 d . . .
O7W O 0.7633(2) 0.7545(3) 0.1207(2) 0.099(2) 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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
Na Na 0.0362 0.0249 '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
O5W Dy1 O6W 81.25(16) . .
O5W Dy1 O13 138.49(14) . .
O6W Dy1 O13 138.01(14) . .
O5W Dy1 O10 74.48(14) . .
O6W Dy1 O10 136.87(14) . .
O13 Dy1 O10 66.42(12) . .
O5W Dy1 O11 137.08(13) . .
O6W Dy1 O11 73.92(13) . .
O13 Dy1 O11 66.40(11) . .
O10 Dy1 O11 100.80(11) . .
O5W Dy1 O12 74.21(13) . .
O6W Dy1 O12 73.81(13) . .
O13 Dy1 O12 100.69(11) . .
O10 Dy1 O12 65.59(11) . .
O11 Dy1 O12 65.58(11) . .
O5W Dy1 O7 82.09(15) . .
O6W Dy1 O7 138.33(14) . .
O13 Dy1 O7 73.80(13) . .
O10 Dy1 O7 72.85(13) . .
O11 Dy1 O7 138.39(14) . .
O12 Dy1 O7 136.18(14) . .
O5W Dy1 O3 138.26(14) . .
O6W Dy1 O3 82.86(15) . .
O13 Dy1 O3 73.05(13) . .
O10 Dy1 O3 137.62(14) . .
O11 Dy1 O3 72.81(12) . .
O12 Dy1 O3 136.37(12) . .
O7 Dy1 O3 84.73(14) . .
O5W Dy1 O9 73.4(2) . .
O6W Dy1 O9 73.4(2) . .
O13 Dy1 O9 122.7(2) . .
O10 Dy1 O9 129.75(19) . .
O11 Dy1 O9 128.9(2) . .
O12 Dy1 O9 136.6(2) . .
O7 Dy1 O9 65.3(2) . .
O3 Dy1 O9 65.1(2) . .
O5W Dy1 Cu4 106.17(11) . 11_565
O6W Dy1 Cu4 154.92(9) . 11_565
O13 Dy1 Cu4 33.05(8) . 11_565
O10 Dy1 Cu4 33.64(9) . 11_565
O11 Dy1 Cu4 85.25(8) . 11_565
O12 Dy1 Cu4 85.04(9) . 11_565
O7 Dy1 Cu4 66.72(10) . 11_565
O3 Dy1 Cu4 104.49(10) . 11_565
O9 Dy1 Cu4 131.56(19) . 11_565
O5W Dy1 Cu3 155.45(10) . 3_675
O6W Dy1 Cu3 105.39(11) . 3_675
O13 Dy1 Cu3 33.33(7) . 3_675
O10 Dy1 Cu3 85.38(8) . 3_675
O11 Dy1 Cu3 33.35(9) . 3_675
O12 Dy1 Cu3 84.85(9) . 3_675
O7 Dy1 Cu3 105.54(11) . 3_675
O3 Dy1 Cu3 66.27(10) . 3_675
O9 Dy1 Cu3 131.1(2) . 3_675
Cu4 Dy1 Cu3 58.442(16) 11_565 3_675
O5W Dy1 Cu4 69.09(10) . .
O6W Dy1 Cu4 105.12(11) . .
O13 Dy1 Cu4 84.43(8) . .
O10 Dy1 Cu4 32.73(7) . .
O11 Dy1 Cu4 84.16(8) . .
O12 Dy1 Cu4 32.99(8) . .
O7 Dy1 Cu4 104.03(11) . .
O3 Dy1 Cu4 152.64(10) . .
O9 Dy1 Cu4 142.2(2) . .
Cu4 Dy1 Cu4 58.015(13) 11_565 .
Cu3 Dy1 Cu4 86.373(16) 3_675 .
O2 Cu1 O3 169.8(3) . .
O2 Cu1 N1 83.7(3) . .
O3 Cu1 N1 86.2(2) . .
O2 Cu1 O9 104.0(3) . .
O3 Cu1 O9 86.2(2) . .
N1 Cu1 O9 169.8(3) . .
O2 Cu1 O7W 92.5(3) . .
O3 Cu1 O7W 88.9(2) . .
N1 Cu1 O7W 89.4(3) . .
O9 Cu1 O7W 83.7(3) . .
O2 Cu1 Na2 93.1(2) . .
O3 Cu1 Na2 92.72(14) . .
N1 Cu1 Na2 133.7(3) . .
O9 Cu1 Na2 53.5(3) . .
O7W Cu1 Na2 136.9(2) . .
N2 Cu2 O7 85.5(3) . .
N2 Cu2 O6 85.5(3) . .
O7 Cu2 O6 170.8(2) . .
N2 Cu2 O9 170.6(4) . .
O7 Cu2 O9 86.1(2) . .
O6 Cu2 O9 103.0(3) . .
N2 Cu2 O7W 91.3(4) . .
O7 Cu2 O7W 89.2(2) . .
O6 Cu2 O7W 93.1(3) . .
O9 Cu2 O7W 84.3(3) . .
N2 Cu2 Na1 130.3(4) . .
O7 Cu2 Na1 92.00(15) . .
O6 Cu2 Na1 92.2(2) . .
O9 Cu2 Na1 54.3(3) . .
O7W Cu2 Na1 138.34(18) . .
O11 Cu3 O12 177.85(15) 2_765 .
O11 Cu3 O11 94.22(18) 2_765 .
O12 Cu3 O11 85.33(14) . .
O11 Cu3 O13 85.24(14) 2_765 2_765
O12 Cu3 O13 95.09(15) . 2_765
O11 Cu3 O13 176.53(15) . 2_765
O11 Cu3 O4 89.99(15) 2_765 2_765
O12 Cu3 O4 92.14(16) . 2_765
O11 Cu3 O4 92.58(14) . 2_765
O13 Cu3 O4 90.85(13) 2_765 2_765
O11 Cu3 Dy1 43.37(9) 2_765 2_765
O12 Cu3 Dy1 137.16(10) . 2_765
O11 Cu3 Dy1 137.50(10) . 2_765
O13 Cu3 Dy1 42.25(11) 2_765 2_765
O4 Cu3 Dy1 86.08(11) 2_765 2_765
O11 Cu3 Dy1 136.71(9) 2_765 .
O12 Cu3 Dy1 42.97(10) . .
O11 Cu3 Dy1 42.54(10) . .
O13 Cu3 Dy1 138.04(11) 2_765 .
O4 Cu3 Dy1 90.13(11) 2_765 .
Dy1 Cu3 Dy1 176.20(2) 2_765 .
O13 Cu4 O10 94.60(16) 12_655 .
O13 Cu4 O12 176.71(15) 12_655 .
O10 Cu4 O12 84.74(14) . .
O13 Cu4 O10 84.62(16) 12_655 12_655
O10 Cu4 O10 177.03(16) . 12_655
O12 Cu4 O10 95.87(14) . 12_655
O13 Cu4 O8 91.38(13) 12_655 12_655
O10 Cu4 O8 93.73(16) . 12_655
O12 Cu4 O8 91.87(15) . 12_655
O10 Cu4 O8 89.16(14) 12_655 12_655
O13 Cu4 Dy1 42.19(11) 12_655 12_655
O10 Cu4 Dy1 136.66(11) . 12_655
O12 Cu4 Dy1 138.59(10) . 12_655
O10 Cu4 Dy1 42.82(10) 12_655 12_655
O8 Cu4 Dy1 85.88(11) 12_655 12_655
O13 Cu4 Dy1 136.46(12) 12_655 .
O10 Cu4 Dy1 41.88(10) . .
O12 Cu4 Dy1 43.04(9) . .
O10 Cu4 Dy1 138.90(11) 12_655 .
O8 Cu4 Dy1 90.71(11) 12_655 .
Dy1 Cu4 Dy1 176.23(2) 12_655 .
O5W Na1 O3W 91.3(3) . .
O5W Na1 O4W 131.1(3) . .
O3W Na1 O4W 118.7(3) . .
O5W Na1 O9 80.6(2) . .
O3W Na1 O9 90.3(3) . .
O4W Na1 O9 62.9(3) . .
O5W Na1 O1W 92.4(3) . .
O3W Na1 O1W 168.4(4) . .
O4W Na1 O1W 66.1(3) . .
O9 Na1 O1W 101.1(4) . .
O5W Na1 O1' 142.9(4) . 13_665
O3W Na1 O1' 98.8(4) . 13_665
O4W Na1 O1' 73.7(4) . 13_665
O9 Na1 O1' 134.4(4) . 13_665
O1W Na1 O1' 71.9(4) . 13_665
O5W Na1 O1 143.2(4) . 13_665
O3W Na1 O1 71.0(4) . 13_665
O4W Na1 O1 85.3(4) . 13_665
O9 Na1 O1 129.7(4) . 13_665
O1W Na1 O1 99.8(4) . 13_665
O1' Na1 O1 27.9(5) 13_665 13_665
O5W Na1 Cu2 86.14(19) . .
O3W Na1 Cu2 51.5(3) . .
O4W Na1 Cu2 84.9(3) . .
O9 Na1 Cu2 38.94(18) . .
O1W Na1 Cu2 139.7(3) . .
O1' Na1 Cu2 127.6(3) 13_665 .
O1 Na1 Cu2 105.2(3) 13_665 .
O5W Na1 Na2 87.85(17) . .
O3W Na1 Na2 141.0(3) . .
O4W Na1 Na2 44.1(2) . .
O9 Na1 Na2 51.1(2) . .
O1W Na1 Na2 50.1(3) . .
O1' Na1 Na2 105.1(4) 13_665 .
O1 Na1 Na2 126.3(4) 13_665 .
Cu2 Na1 Na2 89.59(10) . .
O5W Na1 Dy1 35.94(16) . .
O3W Na1 Dy1 94.6(3) . .
O4W Na1 Dy1 99.7(2) . .
O9 Na1 Dy1 44.92(15) . .
O1W Na1 Dy1 94.8(3) . .
O1' Na1 Dy1 166.6(4) 13_665 .
O1 Na1 Dy1 165.4(3) 13_665 .
Cu2 Na1 Dy1 61.95(6) . .
Na2 Na1 Dy1 63.56(8) . .
O6W Na2 O2W 91.4(3) . .
O6W Na2 O4W 127.3(3) . .
O2W Na2 O4W 122.3(3) . .
O6W Na2 O1W 92.1(3) . .
O2W Na2 O1W 164.6(4) . .
O4W Na2 O1W 66.2(3) . .
O6W Na2 O9 80.7(2) . .
O2W Na2 O9 90.6(3) . .
O4W Na2 O9 61.7(3) . .
O1W Na2 O9 104.7(4) . .
O6W Na2 O5' 143.8(3) . 13_665
O2W Na2 O5' 88.7(5) . 13_665
O4W Na2 O5' 81.5(4) . 13_665
O1W Na2 O5' 79.7(5) . 13_665
O9 Na2 O5' 135.5(3) . 13_665
O6W Na2 O5 141.6(4) . 13_665
O2W Na2 O5 67.6(5) . 13_665
O4W Na2 O5 90.9(4) . 13_665
O1W Na2 O5 101.1(6) . 13_665
O9 Na2 O5 128.9(4) . 13_665
O5' Na2 O5 21.4(5) 13_665 13_665
O6W Na2 Cu1 86.3(2) . .
O2W Na2 Cu1 52.7(3) . .
O4W Na2 Cu1 85.2(2) . .
O1W Na2 Cu1 142.5(3) . .
O9 Na2 Cu1 38.1(2) . .
O5' Na2 Cu1 121.1(3) 13_665 .
O5 Na2 Cu1 103.2(4) 13_665 .
O6W Na2 Na1 87.51(17) . .
O2W Na2 Na1 142.1(3) . .
O4W Na2 Na1 40.5(2) . .
O1W Na2 Na1 53.1(3) . .
O9 Na2 Na1 51.8(2) . .
O5' Na2 Na1 113.6(4) 13_665 .
O5 Na2 Na1 129.0(4) 13_665 .
Cu1 Na2 Na1 89.46(9) . .
O6W Na2 Dy1 36.28(14) . .
O2W Na2 Dy1 95.2(3) . .
O4W Na2 Dy1 96.3(2) . .
O1W Na2 Dy1 96.4(3) . .
O9 Na2 Dy1 44.71(15) . .
O5' Na2 Dy1 176.0(4) 13_665 .
O5 Na2 Dy1 162.5(5) 13_665 .
Cu1 Na2 Dy1 61.81(6) . .
Na1 Na2 Dy1 63.10(7) . .
C2' N1 C4 126(2) . .
C2' N1 C2 36(3) . .
C4 N1 C2 123.6(12) . .
C2' N1 Cu1 119(2) . .
C4 N1 Cu1 113.5(7) . .
C2 N1 Cu1 102.0(14) . .
C8 N2 C7' 131.5(14) . .
C8 N2 C7 126.9(16) . .
C7' N2 C7 50.5(16) . .
C8 N2 Cu2 113.6(7) . .
C7' N2 Cu2 108.3(10) . .
C7 N2 Cu2 111.5(15) . .
O15 N3 O16 117.6(7) . .
O15 N3 O14 101.3(8) . .
O16 N3 O14 139.7(8) . .
O17 N4 O17 119.4(3) 2_765 .
O17 N4 O17 119.4(3) 2_765 3_675
O17 N4 O17 119.4(3) . 3_675
O1 C1 O2 123(2) . .
O1 C1 C2 119(2) . .
O2 C1 C2 117.5(17) . .
C1 C2 N1 111.8(16) . .
C1 O1 Na1 121.5(15) . 13_665
O1' C1' O2 108(2) . .
O1' C1' C2' 139(3) . .
O2 C1' C2' 108(2) . .
N1 C2' C1' 110(4) . .
C1' O1' Na1 132.7(18) . 13_665
C3' C4 C3 43(3) . .
C3' C4 N1 131(2) . .
C3 C4 N1 109.2(18) . .
C3' C4 C5 114(3) . .
C3 C4 C5 93(2) . .
N1 C4 C5 105.0(10) . .
O4 C5 O3 122.8(7) . .
O4 C5 C4 115.2(8) . .
O3 C5 C4 120.4(8) . .
O5 C6 O6 125(2) . .
O5 C6 C7 112(2) . .
O6 C6 C7 121(2) . .
N2 C7 C6 102(2) . .
C6 O5 Na2 118.4(16) . 13_665
C6' O5' Na2 134.9(13) . 13_665
O5' C6' C7' 128.6(19) . .
O5' C6' O6 102.7(15) . .
C7' C6' O6 118.6(14) . .
C6' C7' N2 104.7(17) . .
N2 C8 C9 130.2(11) . .
N2 C8 C10 113.7(9) . .
C9 C8 C10 112.9(10) . .
O8 C10 O7 125.9(6) . .
O8 C10 C8 119.0(7) . .
O7 C10 C8 115.1(7) . .
C1 O2 C1' 41.6(13) . .
C1 O2 Cu1 112.7(10) . .
C1' O2 Cu1 108.7(11) . .
C5 O3 Cu1 110.4(4) . .
C5 O3 Dy1 143.1(4) . .
Cu1 O3 Dy1 106.4(2) . .
C5 O4 Cu3 121.7(5) . 3_675
C6 O6 C6' 30.7(14) . .
C6 O6 Cu2 111.8(12) . .
C6' O6 Cu2 105.7(8) . .
C10 O7 Cu2 112.1(3) . .
C10 O7 Dy1 140.4(4) . .
Cu2 O7 Dy1 107.5(2) . .
C10 O8 Cu4 120.8(4) . 11_565
Cu1 O9 Cu2 105.4(4) . .
Cu1 O9 Dy1 101.5(3) . .
Cu2 O9 Dy1 100.3(3) . .
Cu1 O9 Na2 88.3(3) . .
Cu2 O9 Na2 160.9(4) . .
Dy1 O9 Na2 89.6(2) . .
Cu1 O9 Na1 162.3(4) . .
Cu2 O9 Na1 86.8(3) . .
Dy1 O9 Na1 88.6(3) . .
Na2 O9 Na1 77.1(3) . .
Cu4 O10 Cu4 118.16(16) . 11_565
Cu4 O10 Dy1 105.39(14) . .
Cu4 O10 Dy1 103.54(15) 11_565 .
Cu3 O11 Cu3 118.55(17) 3_675 .
Cu3 O11 Dy1 103.28(12) 3_675 .
Cu3 O11 Dy1 104.62(15) . .
Cu3 O12 Cu4 117.48(17) . .
Cu3 O12 Dy1 104.17(16) . .
Cu4 O12 Dy1 103.96(13) . .
Cu4 O13 Cu3 119.32(16) 11_565 3_675
Cu4 O13 Dy1 104.76(16) 11_565 .
Cu3 O13 Dy1 104.43(14) 3_675 .
Na2 O1W Na1 76.8(4) . .
Na1 O4W Na2 95.3(3) . .
Na1 O5W Dy1 116.9(2) . .
Na2 O6W Dy1 115.7(2) . .
Cu2 O7W Cu1 85.7(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O5W 2.392(5) .
Dy1 O6W 2.398(4) .
Dy1 O13 2.401(4) .
Dy1 O10 2.417(4) .
Dy1 O11 2.441(3) .
Dy1 O12 2.455(3) .
Dy1 O7 2.459(4) .
Dy1 O3 2.468(4) .
Dy1 O9 2.569(7) .
Dy1 Cu4 3.4577(6) 11_565
Dy1 Cu3 3.4590(5) 3_675
Dy1 Cu4 3.4910(6) .
Cu1 O2 1.940(5) .
Cu1 O3 1.960(4) .
Cu1 N1 1.987(10) .
Cu1 O9 2.005(9) .
Cu1 O7W 2.392(7) .
Cu1 Na2 3.246(4) .
Cu2 N2 1.920(9) .
Cu2 O7 1.934(4) .
Cu2 O6 1.976(5) .
Cu2 O9 2.040(8) .
Cu2 O7W 2.339(8) .
Cu2 Na1 3.241(3) .
Cu3 O11 1.954(4) 2_765
Cu3 O12 1.955(3) .
Cu3 O11 1.958(3) .
Cu3 O13 1.962(3) 2_765
Cu3 O4 2.312(4) 2_765
Cu3 Dy1 3.4590(5) 2_765
Cu4 O13 1.950(3) 12_655
Cu4 O10 1.958(3) .
Cu4 O12 1.959(4) .
Cu4 O10 1.970(4) 12_655
Cu4 O8 2.317(3) 12_655
Cu4 Dy1 3.4577(6) 12_655
Na1 O5W 1.863(5) .
Na1 O3W 1.997(8) .
Na1 O4W 2.135(10) .
Na1 O9 2.636(10) .
Na1 O1W 2.686(14) .
Na1 O1' 2.733(17) 13_665
Na1 O1 2.798(17) 13_665
Na1 Na2 3.271(4) .
Na2 O6W 1.903(5) .
Na2 O2W 2.006(11) .
Na2 O4W 2.288(8) .
Na2 O1W 2.580(16) .
Na2 O9 2.611(9) .
Na2 O5' 2.702(17) 13_665
Na2 O5 2.77(2) 13_665
N1 C2' 1.23(4) .
N1 C4 1.436(15) .
N1 C2 1.473(9) .
N2 C8 1.342(14) .
N2 C7' 1.50(2) .
N2 C7 1.58(3) .
N3 O15 1.380(8) .
N3 O16 1.400(7) .
N3 O14 1.402(7) .
N4 O17 1.540(10) 2_765
N4 O17 1.540(10) .
N4 O17 1.540(10) 3_675
C1 O1 1.17(2) .
C1 O2 1.24(2) .
C1 C2 1.45(3) .
O1 Na1 2.798(17) 13_665
C1' O1' 1.20(3) .
C1' O2 1.49(3) .
C1' C2' 1.64(5) .
O1' Na1 2.733(17) 13_665
C3 C4 1.36(5) .
C3' C4 1.33(6) .
C4 C5 1.595(16) .
C5 O4 1.300(9) .
C5 O3 1.329(11) .
C6 O5 1.19(3) .
C6 O6 1.24(2) .
C6 C7 1.63(4) .
O5 Na2 2.77(2) 13_665
O5' C6' 1.23(2) .
O5' Na2 2.702(17) 13_665
C6' C7' 1.39(3) .
C6' O6 1.450(17) .
C8 C9 1.50(2) .
C8 C10 1.504(12) .
C10 O8 1.255(8) .
C10 O7 1.349(9) .
O4 Cu3 2.312(4) 3_675
O8 Cu4 2.317(3) 11_565
O10 Cu4 1.970(4) 11_565
O11 Cu3 1.954(4) 3_675
O13 Cu4 1.950(3) 11_565
O13 Cu3 1.962(3) 3_675
