#------------------------------------------------------------------------------
#$Date: 2018-11-30 05:34:13 +0200 (Fri, 30 Nov 2018) $
#$Revision: 212254 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/13/2021393.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2021393
loop_
_publ_author_name
'Parbhakar, Swati'
'Kaushik, Reetam'
'Hussain, Firasat'
_publ_section_title
;
 Synthesis and characterization of self-assembled inorganic--organic
 hybrid arsenotungstates
;
_journal_coeditor_code           JR3013
_journal_issue                   12
_journal_name_full
'Acta Crystallographica Section C Structural Chemistry'
_journal_paper_doi               10.1107/S2053229618014171
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac
;
K2 {[Cu2 (H2 O) (C12 H8 N2)2 (C2 H3 O2)2]4 [Tb2 (H2 O)2 (C2 H3 O2)2 
(As W11 O39)2]}, 22H2 O1
;
_chemical_formula_moiety         'C116 H92 As2 Cu8 K2 N16 O110 Tb2 W22, 16(O)'
_chemical_formula_sum            'C116 H92 As2 Cu8 K2 N16 O126 Tb2 W22'
_chemical_formula_weight         8824.95
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2018-05-09
_audit_creation_method
;
OLEX2 1.2
(compiled 2018.04.26 svn.r3504 for OlexSys, GUI svn.r5492)
;
_cell_angle_alpha                90
_cell_angle_beta                 108.235(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   30.4415(7)
_cell_length_b                   14.0792(3)
_cell_length_c                   48.0609(14)
_cell_measurement_reflns_used    27392
_cell_measurement_temperature    133(11)
_cell_measurement_theta_max      28.5260
_cell_measurement_theta_min      3.1420
_cell_volume                     19564.1(9)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2013)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2013)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2013)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_structure_refinement
;
SHELXL2017 (Sheldrick, 2015)
;
_diffrn_ambient_temperature      133(11)
_diffrn_detector_area_resol_mean 15.9853
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Agulent Xcalibur Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0971
_diffrn_reflns_av_unetI/netI     0.0640
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       58
_diffrn_reflns_limit_l_min       -58
_diffrn_reflns_number            130000
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.681
_diffrn_reflns_theta_min         2.825
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    14.921
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.33612
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2013)
;
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    2.996
_exptl_crystal_description       Block
_exptl_crystal_F_000             16008
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.01
_refine_diff_density_max         3.373
_refine_diff_density_min         -1.279
_refine_diff_density_rms         0.314
_refine_ls_extinction_coef       0.0000070(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method
;
SHELXL2017 (Sheldrick, 2015)
;
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     683
_refine_ls_number_reflns         18532
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0670
_refine_ls_R_factor_gt           0.0463
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0224P)²+707.2657P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0897
_refine_ls_wR_factor_ref         0.0977
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14576
_reflns_number_total             18532
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            jr3013sup1.cif
_cod_data_source_block           fhsp22a
_cod_database_code               2021393
_publcif_datablock.id            {9a6078d6-f7c6-4c43-87e8-ff3065298a90}
_shelx_shelxl_version_number     2017/1
_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.
;
_exptl_absorpt_special_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: K1(0.4) K2(0.6)
3.a Secondary CH2 refined with riding coordinates:
 C56(H56A,H56B)
3.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C13(H13),
 C14(H14), C15(H15), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C29(H29),
  C30(H30), C31(H31), C33(H33), C34(H34), C36(H36), C37(H37), C38(H38),
 C41(H41), C42(H42), C43(H43), C45(H45), C46(H46), C48(H48), C49(H49), C50(H50)
3.c Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C), C28(H28A,H28B,H28C), C54(H54A,H54B,H54C), C58(H58A,H58B,
 H58C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
C1 C 0.1011(4) 1.1969(9) 0.1273(3) 0.016(3) Uiso 1 1 d . . .
H1 H 0.123951 1.205143 0.118429 0.020 Uiso 1 1 calc R . .
C2 C 0.1133(5) 1.2033(9) 0.1579(3) 0.022(3) Uiso 1 1 d . . .
H2 H 0.143624 1.216781 0.168936 0.027 Uiso 1 1 calc R . .
C3 C 0.0812(5) 1.1898(9) 0.1710(3) 0.026(3) Uiso 1 1 d . . .
H3 H 0.088952 1.193487 0.191317 0.031 Uiso 1 1 calc R . .
C4 C 0.0356(5) 1.1702(10) 0.1539(3) 0.026(3) Uiso 1 1 d . . .
C5 C -0.0027(5) 1.1580(10) 0.1665(4) 0.034(4) Uiso 1 1 d . . .
H5 H 0.003133 1.161554 0.186687 0.041 Uiso 1 1 calc R . .
C6 C -0.0458(5) 1.1418(11) 0.1487(3) 0.035(4) Uiso 1 1 d . . .
H6 H -0.069527 1.132540 0.156714 0.042 Uiso 1 1 calc R . .
C7 C -0.0561(5) 1.1384(10) 0.1172(3) 0.027(3) Uiso 1 1 d . . .
C8 C -0.1010(5) 1.1261(11) 0.0974(4) 0.036(4) Uiso 1 1 d . . .
H8 H -0.126450 1.120704 0.104086 0.043 Uiso 1 1 calc R . .
C9 C -0.1063(5) 1.1221(10) 0.0682(3) 0.032(4) Uiso 1 1 d . . .
H9 H -0.135361 1.111325 0.054734 0.039 Uiso 1 1 calc R . .
C10 C -0.0685(4) 1.1342(9) 0.0587(3) 0.022(3) Uiso 1 1 d . . .
H10 H -0.073087 1.132742 0.038692 0.026 Uiso 1 1 calc R . .
C11 C -0.0199(4) 1.1506(9) 0.1057(3) 0.021(3) Uiso 1 1 d . . .
C12 C 0.0261(4) 1.1663(9) 0.1240(3) 0.019(3) Uiso 1 1 d . . .
C13 C -0.0859(4) 1.3656(9) 0.0243(3) 0.023(3) Uiso 1 1 d . . .
H13 H -0.080573 1.362686 0.006249 0.027 Uiso 1 1 calc R . .
C14 C -0.1315(5) 1.3613(10) 0.0245(3) 0.027(3) Uiso 1 1 d . . .
H14 H -0.155988 1.357901 0.007116 0.033 Uiso 1 1 calc R . .
C15 C -0.1392(5) 1.3623(10) 0.0506(3) 0.030(3) Uiso 1 1 d . . .
H15 H -0.169372 1.357651 0.051198 0.035 Uiso 1 1 calc R . .
C16 C -0.1027(4) 1.3702(9) 0.0767(3) 0.021(3) Uiso 1 1 d . . .
C17 C -0.1063(5) 1.3735(10) 0.1061(3) 0.029(3) Uiso 1 1 d . . .
H17 H -0.135093 1.368466 0.108808 0.035 Uiso 1 1 calc R . .
C18 C -0.0690(5) 1.3837(10) 0.1288(3) 0.032(4) Uiso 1 1 d . . .
H18 H -0.072371 1.384015 0.147376 0.038 Uiso 1 1 calc R . .
C19 C -0.0236(5) 1.3943(9) 0.1265(3) 0.023(3) Uiso 1 1 d . . .
C20 C 0.0170(5) 1.4065(10) 0.1501(3) 0.032(4) Uiso 1 1 d . . .
H20 H 0.016257 1.406266 0.169256 0.038 Uiso 1 1 calc R . .
C21 C 0.0575(5) 1.4186(10) 0.1442(3) 0.029(3) Uiso 1 1 d . . .
H21 H 0.084380 1.431051 0.159560 0.035 Uiso 1 1 calc R . .
C22 C 0.0596(5) 1.4129(9) 0.1166(3) 0.022(3) Uiso 1 1 d . . .
H22 H 0.088072 1.419891 0.113474 0.026 Uiso 1 1 calc R . .
C23 C -0.0189(4) 1.3891(9) 0.0989(3) 0.018(3) Uiso 1 1 d . . .
C24 C -0.0587(4) 1.3758(9) 0.0736(3) 0.019(3) Uiso 1 1 d . . .
C25 C 0.0015(4) 1.2183(9) 0.0075(3) 0.018(3) Uiso 1 1 d . . .
C26 C -0.0068(5) 1.1917(10) -0.0232(3) 0.030(3) Uiso 1 1 d . . .
H26A H -0.038978 1.199902 -0.033858 0.045 Uiso 1 1 calc GR . .
H26B H 0.001660 1.126388 -0.024214 0.045 Uiso 1 1 calc GR . .
H26C H 0.011465 1.231238 -0.031530 0.045 Uiso 1 1 calc GR . .
C27 C 0.1061(5) 1.2814(10) 0.0623(3) 0.024(3) Uiso 1 1 d . . .
C28 C 0.1575(5) 1.2936(11) 0.0664(4) 0.040(4) Uiso 1 1 d . . .
H28A H 0.172193 1.232467 0.068892 0.060 Uiso 1 1 calc GR . .
H28B H 0.171387 1.331715 0.083512 0.060 Uiso 1 1 calc GR . .
H28C H 0.161395 1.324420 0.049543 0.060 Uiso 1 1 calc GR . .
C29 C 0.2868(4) 0.3872(9) 0.1078(3) 0.021(3) Uiso 1 1 d . . .
H29 H 0.265346 0.393249 0.117875 0.026 Uiso 1 1 calc R . .
C30 C 0.2708(5) 0.3752(10) 0.0780(3) 0.029(3) Uiso 1 1 d . . .
H30 H 0.239232 0.373300 0.068143 0.035 Uiso 1 1 calc R . .
C31 C 0.3018(5) 0.3662(10) 0.0632(4) 0.032(4) Uiso 1 1 d . . .
H31 H 0.291292 0.358510 0.042919 0.039 Uiso 1 1 calc R . .
C32 C 0.3492(5) 0.3682(10) 0.0777(3) 0.030(3) Uiso 1 1 d . . .
C33 C 0.3844(5) 0.3579(11) 0.0644(4) 0.040(4) Uiso 1 1 d . . .
H33 H 0.376593 0.349668 0.044283 0.048 Uiso 1 1 calc R . .
C34 C 0.4300(5) 0.3599(11) 0.0813(3) 0.034(4) Uiso 1 1 d . . .
H34 H 0.452636 0.355212 0.072128 0.041 Uiso 1 1 calc R . .
C35 C 0.4437(5) 0.3687(10) 0.1122(3) 0.024(3) Uiso 1 1 d . . .
C36 C 0.4887(5) 0.3640(10) 0.1304(3) 0.030(4) Uiso 1 1 d . . .
H36 H 0.512401 0.351978 0.122505 0.036 Uiso 1 1 calc R . .
C37 C 0.4988(5) 0.3765(10) 0.1592(3) 0.031(4) Uiso 1 1 d . . .
H37 H 0.529298 0.374163 0.171341 0.037 Uiso 1 1 calc R . .
C38 C 0.4628(5) 0.3933(10) 0.1712(3) 0.026(3) Uiso 1 1 d . . .
H38 H 0.469772 0.403588 0.191203 0.031 Uiso 1 1 calc R . .
C39 C 0.4093(5) 0.3805(9) 0.1250(3) 0.023(3) Uiso 1 1 d . . .
C40 C 0.3618(5) 0.3818(9) 0.1078(3) 0.023(3) Uiso 1 1 d . . .
C41 C 0.3328(5) 0.1610(10) 0.1239(3) 0.028(3) Uiso 1 1 d . . .
H41 H 0.304637 0.172689 0.127054 0.033 Uiso 1 1 calc R . .
C42 C 0.3323(6) 0.1362(11) 0.0972(4) 0.042(4) Uiso 1 1 d . . .
H42 H 0.304376 0.131680 0.082142 0.051 Uiso 1 1 calc R . .
C43 C 0.3736(5) 0.1171(11) 0.0915(4) 0.038(4) Uiso 1 1 d . . .
H43 H 0.373428 0.101008 0.072695 0.045 Uiso 1 1 calc R . .
C44 C 0.4141(5) 0.1221(10) 0.1138(3) 0.032(4) Uiso 1 1 d . . .
C45 C 0.4594(6) 0.1060(12) 0.1110(4) 0.047(5) Uiso 1 1 d . . .
H45 H 0.462600 0.093563 0.092703 0.057 Uiso 1 1 calc R . .
C46 C 0.4981(6) 0.1091(12) 0.1358(4) 0.048(5) Uiso 1 1 d . . .
H46 H 0.526582 0.092441 0.133955 0.058 Uiso 1 1 calc R . .
C47 C 0.4962(5) 0.1355(11) 0.1626(4) 0.037(4) Uiso 1 1 d . . .
C48 C 0.5340(6) 0.1428(12) 0.1882(4) 0.048(5) Uiso 1 1 d . . .
H48 H 0.563406 0.128045 0.187515 0.058 Uiso 1 1 calc R . .
C49 C 0.5288(6) 0.1703(12) 0.2136(4) 0.046(4) Uiso 1 1 d . . .
H49 H 0.554431 0.174426 0.230327 0.055 Uiso 1 1 calc R . .
C50 C 0.4848(5) 0.1928(11) 0.2151(4) 0.040(4) Uiso 1 1 d . . .
H50 H 0.481328 0.212933 0.232683 0.048 Uiso 1 1 calc R . .
C51 C 0.4520(5) 0.1552(11) 0.1654(3) 0.032(4) Uiso 1 1 d . . .
C52 C 0.4122(5) 0.1483(11) 0.1414(3) 0.032(4) Uiso 1 1 d . . .
C53 C 0.4045(6) 0.3735(13) 0.2273(4) 0.046(4) Uiso 1 1 d . . .
C54 C 0.4264(9) 0.4090(19) 0.2574(6) 0.110(9) Uiso 1 1 d . . .
H54A H 0.403441 0.415633 0.267159 0.165 Uiso 1 1 calc GR . .
H54B H 0.440480 0.469606 0.256682 0.165 Uiso 1 1 calc GR . .
H54C H 0.449689 0.364830 0.268056 0.165 Uiso 1 1 calc GR . .
C55 C 0.2918(5) 0.3000(10) 0.1789(3) 0.023(3) Uiso 1 1 d . . .
C56 C 0.2436(5) 0.2912(10) 0.1819(3) 0.031(4) Uiso 1 1 d . . .
H56A H 0.218549 0.292442 0.163505 0.037 Uiso 1 1 calc R . .
H56B H 0.237636 0.332906 0.196366 0.037 Uiso 1 1 calc R . .
C57 C 0.2404(4) 0.5859(9) 0.2405(3) 0.016(3) Uiso 1 1 d . . .
C58 C 0.2491(5) 0.5124(10) 0.2199(3) 0.026(3) Uiso 1 1 d . . .
H58A H 0.246727 0.541692 0.201427 0.039 Uiso 1 1 calc GR . .
H58B H 0.226492 0.462607 0.216886 0.039 Uiso 1 1 calc GR . .
H58C H 0.279472 0.486133 0.228191 0.039 Uiso 1 1 calc GR . .
As1 As 0.20425(4) 0.79604(8) 0.12521(3) 0.0094(3) Uani 1 1 d . . .
Cu1 Cu 0.03261(5) 1.16373(11) 0.06744(3) 0.0175(3) Uani 1 1 d . . .
Cu2 Cu 0.01663(5) 1.36935(11) 0.05201(4) 0.0183(4) Uani 1 1 d . . .
Cu3 Cu 0.36120(5) 0.41092(11) 0.16541(4) 0.0216(4) Uani 1 1 d . . .
Cu4 Cu 0.38077(6) 0.20964(12) 0.18759(4) 0.0260(4) Uani 1 1 d . . .
K1 K 0.1483(2) 1.0669(5) 0.03779(15) 0.0132(14) Uiso 0.4 1 d . . .
K2 K 0.28090(14) 1.0708(3) 0.20675(9) 0.0104(9) Uiso 0.6 1 d . . .
N1 N 0.0585(4) 1.1798(7) 0.1108(2) 0.019(2) Uiso 1 1 d . . .
N2 N -0.0265(4) 1.1475(7) 0.0764(2) 0.020(2) Uiso 1 1 d . . .
N3 N -0.0502(3) 1.3733(7) 0.0478(2) 0.016(2) Uiso 1 1 d . . .
N4 N 0.0228(4) 1.3978(7) 0.0939(2) 0.019(2) Uiso 1 1 d . . .
N5 N 0.3306(4) 0.3905(8) 0.1228(2) 0.023(3) Uiso 1 1 d . . .
N6 N 0.4183(4) 0.3948(8) 0.1540(3) 0.024(3) Uiso 1 1 d . . .
N7 N 0.3715(4) 0.1699(8) 0.1465(3) 0.023(3) Uiso 1 1 d . . .
N8 N 0.4476(4) 0.1856(8) 0.1911(3) 0.027(3) Uiso 1 1 d . . .
O1 O 0.0541(3) 1.0062(6) 0.07555(18) 0.0144(19) Uiso 1 1 d . . .
O2 O 0.2263(3) 1.1622(6) 0.1213(2) 0.021(2) Uiso 1 1 d . . .
O3 O 0.1405(3) 1.0007(6) 0.19563(19) 0.021(2) Uiso 1 1 d . . .
O4 O 0.1062(3) 0.9745(6) 0.13333(18) 0.0157(19) Uiso 1 1 d . . .
O5 O 0.1892(3) 1.0517(6) 0.15583(18) 0.0148(19) Uiso 1 1 d . . .
O6 O 0.1482(3) 1.0499(6) 0.09849(19) 0.0171(19) Uiso 1 1 d . . .
O7 O 0.1328(3) 0.8233(6) 0.16639(18) 0.0157(19) Uiso 1 1 d . . .
O8 O 0.0850(3) 0.8234(6) 0.09823(18) 0.0144(19) Uiso 1 1 d . . .
O9 O 0.1272(3) 0.8993(6) 0.06549(19) 0.0163(19) Uiso 1 1 d . . .
O10 O 0.2255(3) 0.9908(6) 0.09053(19) 0.0166(19) Uiso 1 1 d . . .
O11 O 0.2672(3) 0.9893(6) 0.14617(18) 0.0138(18) Uiso 1 1 d . . .
O12 O 0.2152(3) 0.9022(6) 0.19071(19) 0.020(2) Uiso 1 1 d . . .
O13 O 0.1785(3) 0.8999(5) 0.12760(18) 0.0125(18) Uiso 1 1 d . . .
O14 O 0.3645(3) 0.9585(6) 0.16059(19) 0.020(2) Uiso 1 1 d . . .
O15 O 0.2862(3) 0.9604(6) 0.05745(19) 0.020(2) Uiso 1 1 d . . .
O16 O 0.1112(3) 0.8076(6) 0.0120(2) 0.022(2) Uiso 1 1 d . . .
O17 O 0.0363(3) 0.6518(6) 0.07640(18) 0.0160(19) Uiso 1 1 d . . .
O18 O 0.1190(3) 0.6537(6) 0.19604(19) 0.018(2) Uiso 1 1 d . . .
O19 O 0.2966(3) 0.8820(6) 0.11212(18) 0.0137(18) Uiso 1 1 d . . .
O20 O 0.1974(3) 0.8814(6) 0.04414(19) 0.0169(19) Uiso 1 1 d . . .
O21 O 0.1173(3) 0.7193(6) 0.06560(18) 0.0130(18) Uiso 1 1 d . . .
O22 O 0.0907(3) 0.6777(6) 0.13416(18) 0.0141(19) Uiso 1 1 d . . .
O23 O 0.2034(3) 0.7111(6) 0.19116(19) 0.0169(19) Uiso 1 1 d . . .
O24 O 0.3140(3) 0.8842(6) 0.19282(18) 0.0143(18) Uiso 1 1 d . . .
O25 O 0.2550(3) 0.7866(5) 0.15098(18) 0.0124(18) Uiso 1 1 d . . .
O26 O 0.1683(3) 0.7098(5) 0.12809(18) 0.0122(18) Uiso 1 1 d . . .
O27 O 0.2099(3) 0.7907(6) 0.09179(18) 0.0161(19) Uiso 1 1 d . . .
O28 O 0.1875(3) 0.4286(6) 0.12476(19) 0.019(2) Uiso 1 1 d . . .
O29 O 0.2630(3) 0.5746(6) 0.05772(19) 0.019(2) Uiso 1 1 d . . .
O30 O 0.3443(3) 0.5668(6) 0.16076(19) 0.0168(19) Uiso 1 1 d . . .
O31 O 0.1617(3) 0.5666(6) 0.15712(18) 0.0154(19) Uiso 1 1 d . . .
O32 O 0.1221(3) 0.5704(6) 0.09993(19) 0.019(2) Uiso 1 1 d . . .
O33 O 0.1857(3) 0.6943(6) 0.04444(18) 0.0144(18) Uiso 1 1 d . . .
O34 O 0.2689(3) 0.7701(6) 0.06446(19) 0.0168(19) Uiso 1 1 d . . .
O35 O 0.3396(3) 0.7663(6) 0.15614(19) 0.0165(19) Uiso 1 1 d . . .
O36 O 0.3047(3) 0.6734(6) 0.19341(18) 0.0136(18) Uiso 1 1 d . . .
O37 O 0.2456(3) 0.5840(6) 0.14774(19) 0.0161(19) Uiso 1 1 d . . .
O38 O 0.2033(3) 0.5837(6) 0.09203(19) 0.0157(19) Uiso 1 1 d . . .
O39 O 0.2837(3) 0.6631(6) 0.11250(18) 0.0133(18) Uiso 1 1 d . . .
O40 O 0.3488(3) 0.7699(6) 0.2483(2) 0.026(2) Uiso 1 1 d . . .
O41 O 0.2646(3) 0.6610(6) 0.24600(18) 0.0148(19) Uiso 1 1 d . . .
O42 O 0.2119(3) 0.5697(6) 0.25360(19) 0.020(2) Uiso 1 1 d . . .
O43 O 0.0029(3) 1.1521(6) 0.0258(2) 0.026(2) Uiso 1 1 d . . .
O44 O 0.0061(3) 1.3043(6) 0.0144(2) 0.023(2) Uiso 1 1 d . . .
O45 O 0.0899(3) 1.2006(6) 0.0610(2) 0.022(2) Uiso 1 1 d . . .
O46 O 0.0835(3) 1.3573(6) 0.0618(2) 0.024(2) Uiso 1 1 d . . .
O47 O 0.0194(3) 1.5071(7) 0.0307(2) 0.039(3) Uiso 1 1 d . . .
O48 O 0.3970(3) 0.4315(7) 0.2062(2) 0.033(2) Uiso 1 1 d . . .
O49 O 0.3969(3) 0.2835(7) 0.2237(2) 0.037(3) Uiso 1 1 d . . .
O50 O 0.3052(3) 0.3823(7) 0.1747(2) 0.028(2) Uiso 1 1 d . . .
O51 O 0.3146(3) 0.2259(7) 0.1811(2) 0.027(2) Uiso 1 1 d . . .
O52 O 0.3778(3) 0.0748(7) 0.2106(2) 0.034(3) Uiso 1 1 d . . .
O53 O 0.2037(4) 1.1463(8) 0.2248(3) 0.054(3) Uiso 1 1 d . . .
O54 O 0.4133(5) 0.7668(10) 0.2126(3) 0.073(4) Uiso 1 1 d . . .
O55 O 0.4564(4) 0.5975(8) 0.2100(3) 0.055(3) Uiso 1 1 d . . .
O56 O 0.1765(5) 0.4084(9) 0.0084(3) 0.069(4) Uiso 1 1 d . . .
O57 O -0.1216(3) 1.4834(7) -0.0373(2) 0.037(3) Uiso 1 1 d . . .
O58 O 0.250000 0.5067(11) 0.000000 0.041(4) Uiso 1 2 d S T P
O59 O -0.250000 1.2846(13) 0.000000 0.068(5) Uiso 1 2 d S T P
Tb1 Tb 0.27073(2) 0.79058(4) 0.21489(2) 0.01308(13) Uani 1 1 d . . .
W1 W 0.10373(2) 0.94926(4) 0.09563(2) 0.01344(12) Uani 1 1 d . . .
W2 W 0.21120(2) 1.04637(4) 0.12292(2) 0.01265(11) Uani 1 1 d . . .
W3 W 0.16052(2) 0.94518(4) 0.17008(2) 0.01318(12) Uani 1 1 d . . .
W4 W 0.31518(2) 0.89325(3) 0.15631(2) 0.01164(11) Uani 1 1 d . . .
W5 W 0.25636(2) 0.89585(4) 0.07507(2) 0.01283(12) Uani 1 1 d . . .
W6 W 0.14835(2) 0.80083(4) 0.04650(2) 0.01304(12) Uani 1 1 d . . .
W7 W 0.09091(2) 0.68701(4) 0.09572(2) 0.01274(12) Uani 1 1 d . . .
W8 W 0.14503(2) 0.68856(4) 0.17040(2) 0.01271(12) Uani 1 1 d . . .
W9 W 0.18512(2) 0.54845(4) 0.12555(2) 0.01248(11) Uani 1 1 d . . .
W10 W 0.24163(2) 0.65719(4) 0.07579(2) 0.01307(12) Uani 1 1 d . . .
W11 W 0.30329(2) 0.65419(4) 0.15689(2) 0.01199(11) Uani 1 1 d . . .
O1AA O 0.1654(5) 1.3000(9) 0.2458(3) 0.067(4) Uiso 1 1 d . . .
O0AA O 0.3655(6) 0.5829(11) 0.2506(4) 0.096(5) Uiso 1 1 d . . .
O2AA O 0.0602(8) 1.0126(16) 0.0061(5) 0.159(9) Uiso 1 1 d . . .
O3AA O 0.5447(6) 0.5367(12) 0.2380(4) 0.101(5) Uiso 1 1 d . . .
O4AA O 0.1169(5) 1.4507(11) 0.2154(4) 0.088(5) Uiso 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'
As As 0.0499 2.0058 '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'
K K 0.2009 0.2494 '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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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
N1 C1 C2 122.1(12) . .
C3 C2 C1 119.7(13) . .
C2 C3 C4 119.1(14) . .
C3 C4 C5 122.8(13) . .
C12 C4 C3 117.9(12) . .
C12 C4 C5 119.2(13) . .
C6 C5 C4 119.5(15) . .
C5 C6 C7 121.6(14) . .
C8 C7 C6 124.0(13) . .
C11 C7 C6 118.2(13) . .
C11 C7 C8 117.9(14) . .
C9 C8 C7 118.6(14) . .
C8 C9 C10 119.6(15) . .
N2 C10 C9 123.7(14) . .
C7 C11 C12 121.7(13) . .
N2 C11 C7 122.0(12) . .
N2 C11 C12 116.3(11) . .
C4 C12 C11 119.8(12) . .
N1 C12 C4 122.7(12) . .
N1 C12 C11 117.4(12) . .
N3 C13 C14 123.9(13) . .
C15 C14 C13 118.1(14) . .
C14 C15 C16 121.2(14) . .
C15 C16 C17 126.7(12) . .
C24 C16 C15 115.4(12) . .
C24 C16 C17 118.0(13) . .
C18 C17 C16 120.3(14) . .
C17 C18 C19 123.5(15) . .
C20 C19 C18 125.5(13) . .
C23 C19 C18 117.6(13) . .
C23 C19 C20 116.9(12) . .
C21 C20 C19 118.5(14) . .
C22 C21 C20 121.3(15) . .
N4 C22 C21 122.3(13) . .
C19 C23 C24 120.4(11) . .
N4 C23 C19 122.9(12) . .
N4 C23 C24 116.7(11) . .
C16 C24 C23 120.2(12) . .
N3 C24 C16 124.4(12) . .
N3 C24 C23 115.3(11) . .
O43 C25 C26 117.7(12) . .
O44 C25 C26 119.0(12) . .
O44 C25 O43 123.3(12) . .
O45 C27 C28 119.2(12) . .
O45 C27 O46 124.9(12) . .
O46 C27 C28 115.8(12) . .
C27 C28 K1 83.7(8) . .
N5 C29 C30 123.2(13) . .
C31 C30 C29 118.9(14) . .
C30 C31 C32 121.1(15) . .
C31 C32 C33 125.7(15) . .
C40 C32 C31 115.4(13) . .
C40 C32 C33 118.9(14) . .
C34 C33 C32 120.1(16) . .
C33 C34 C35 122.3(14) . .
C36 C35 C34 124.9(13) . .
C36 C35 C39 117.5(13) . .
C39 C35 C34 117.5(13) . .
C37 C36 C35 121.0(14) . .
C36 C37 C38 119.4(14) . .
N6 C38 C37 121.0(14) . .
C35 C39 C40 121.1(13) . .
N6 C39 C35 122.9(13) . .
N6 C39 C40 116.0(12) . .
C32 C40 C39 120.0(12) . .
N5 C40 C32 123.5(12) . .
N5 C40 C39 116.4(12) . .
C42 C41 N7 123.5(14) . .
C41 C42 C43 120.2(16) . .
C44 C43 C42 119.3(16) . .
C43 C44 C45 125.2(15) . .
C43 C44 C52 117.7(14) . .
C52 C44 C45 117.1(15) . .
C46 C45 C44 119.5(17) . .
C47 C46 C45 123.1(17) . .
C46 C47 C48 125.8(16) . .
C46 C47 C51 117.6(16) . .
C48 C47 C51 116.5(15) . .
C49 C48 C47 121.6(17) . .
C48 C49 C50 120.0(18) . .
N8 C50 C49 120.3(16) . .
C52 C51 C47 120.9(14) . .
N8 C51 C47 120.9(14) . .
N8 C51 C52 118.2(13) . .
C51 C52 C44 121.6(14) . .
N7 C52 C44 122.7(14) . .
N7 C52 C51 115.7(14) . .
O48 C53 C54 118.6(18) . .
O48 C53 O49 123.1(17) . .
O49 C53 C54 118.1(18) . .
O50 C55 C56 117.3(12) . .
O51 C55 C56 117.0(12) . .
O51 C55 O50 125.7(12) . .
C55 C56 K2 83.2(8) . 1_545
C58 C57 Tb1 173.1(9) . 7_565
O41 C57 C58 119.8(11) . .
O41 C57 Tb1 62.3(6) . 7_565
O42 C57 C58 120.0(11) . .
O42 C57 O41 120.0(11) . .
O42 C57 Tb1 57.8(6) . 7_565
O25 As1 O13 111.4(4) . .
O25 As1 O26 111.3(4) . .
O25 As1 O27 111.2(4) . .
O26 As1 O13 107.2(4) . .
O26 As1 O27 108.3(4) . .
O27 As1 O13 107.2(4) . .
N1 Cu1 Cu2 97.4(3) . .
N1 Cu1 O1 86.2(4) . .
N2 Cu1 Cu2 94.4(3) . .
N2 Cu1 N1 82.9(4) . .
N2 Cu1 O1 94.6(4) . .
O1 Cu1 Cu2 170.6(2) . .
O43 Cu1 Cu2 80.7(3) . .
O43 Cu1 N1 175.3(4) . .
O43 Cu1 N2 93.0(4) . .
O43 Cu1 O1 96.3(3) . .
O43 Cu1 O45 90.6(4) . .
O45 Cu1 Cu2 77.6(3) . .
O45 Cu1 N1 93.2(4) . .
O45 Cu1 N2 170.6(4) . .
O45 Cu1 O1 93.6(3) . .
N3 Cu2 Cu1 97.7(3) . .
N3 Cu2 N4 82.3(4) . .
N3 Cu2 O47 96.6(4) . .
N4 Cu2 Cu1 89.3(3) . .
N4 Cu2 O47 106.6(4) . .
O44 Cu2 Cu1 75.1(3) . .
O44 Cu2 N3 93.0(4) . .
O44 Cu2 N4 163.0(4) . .
O44 Cu2 O47 90.2(4) . .
O46 Cu2 Cu1 77.2(3) . .
O46 Cu2 N3 171.6(4) . .
O46 Cu2 N4 90.8(4) . .
O46 Cu2 O44 92.2(4) . .
O46 Cu2 O47 90.0(4) . .
O47 Cu2 Cu1 159.9(3) . .
N5 Cu3 Cu4 101.8(3) . .
N5 Cu3 N6 82.5(5) . .
N5 Cu3 O30 91.1(4) . .
N6 Cu3 Cu4 84.1(3) . .
N6 Cu3 O30 106.0(4) . .
O30 Cu3 Cu4 164.6(2) . .
O48 Cu3 Cu4 78.3(3) . .
O48 Cu3 N5 174.2(4) . .
O48 Cu3 N6 91.8(4) . .
O48 Cu3 O30 89.6(4) . .
O50 Cu3 Cu4 79.3(3) . .
O50 Cu3 N5 92.5(4) . .
O50 Cu3 N6 161.3(4) . .
O50 Cu3 O30 92.0(3) . .
O50 Cu3 O48 93.2(4) . .
Cu3 Cu4 K2 117.68(8) . 1_545
N7 Cu4 Cu3 87.9(3) . .
N7 Cu4 K2 102.2(3) . 1_545
N7 Cu4 N8 82.1(5) . .
N7 Cu4 O52 103.9(4) . .
N8 Cu4 Cu3 105.7(3) . .
N8 Cu4 K2 136.5(3) . 1_545
N8 Cu4 O52 90.7(4) . .
O49 Cu4 Cu3 77.3(3) . .
O49 Cu4 K2 93.1(3) . 1_545
O49 Cu4 N7 162.4(4) . .
O49 Cu4 N8 92.7(5) . .
O49 Cu4 O51 92.2(4) . .
O49 Cu4 O52 92.9(4) . .
O51 Cu4 Cu3 75.8(3) . .
O51 Cu4 K2 42.8(3) . 1_545
O51 Cu4 N7 93.3(4) . .
O51 Cu4 N8 175.0(5) . .
O51 Cu4 O52 88.7(4) . .
O52 Cu4 Cu3 161.2(3) . .
O52 Cu4 K2 46.0(3) . 1_545
C28 K1 W1 96.5(3) . .
C28 K1 W2 72.6(3) . .
C28 K1 W5 115.0(3) . .
C28 K1 W6 151.3(3) . .
O6 K1 C28 72.8(3) . .
O6 K1 O10 52.1(2) . .
O6 K1 O20 89.0(3) . .
O6 K1 O45 60.0(3) . .
O6 K1 W1 29.61(17) . .
O6 K1 W2 27.48(17) . .
O6 K1 W5 76.3(2) . .
O6 K1 W6 79.0(2) . .
O9 K1 C28 125.1(4) . .
O9 K1 O6 53.3(3) . .
O9 K1 O10 63.6(3) . .
O9 K1 O20 54.0(2) . .
O9 K1 O45 95.6(3) . .
O9 K1 W1 29.43(17) . .
O9 K1 W2 64.3(2) . .
O9 K1 W5 64.7(2) . .
O9 K1 W6 29.14(17) . .
O10 K1 C28 92.7(4) . .
O10 K1 W1 66.57(19) . .
O10 K1 W2 28.17(16) . .
O10 K1 W5 27.31(16) . .
O10 K1 W6 65.59(19) . .
O20 K1 C28 142.6(4) . .
O20 K1 O10 51.5(2) . .
O20 K1 O45 147.2(3) . .
O20 K1 W1 80.0(2) . .
O20 K1 W2 76.4(2) . .
O20 K1 W5 27.57(17) . .
O20 K1 W6 30.02(16) . .
O45 K1 C28 42.5(3) . .
O45 K1 O10 107.4(3) . .
O45 K1 W1 67.7(2) . .
O45 K1 W2 79.3(2) . .
O45 K1 W5 134.5(3) . .
O45 K1 W6 123.8(2) . .
W1 K1 W2 51.93(9) . .
W1 K1 W5 81.01(13) . .
W2 K1 W5 55.25(9) . .
W6 K1 W1 58.52(9) . .
W6 K1 W2 80.16(13) . .
W6 K1 W5 51.90(8) . .
O2AA K1 C28 115.0(6) . .
O2AA K1 O6 103.0(5) . .
O2AA K1 O9 73.0(5) . .
O2AA K1 O10 136.5(6) . .
O2AA K1 O20 100.6(5) . .
O2AA K1 O45 78.1(5) . .
O2AA K1 W1 77.1(5) . .
O2AA K1 W2 128.9(5) . .
O2AA K1 W5 127.0(5) . .
O2AA K1 W6 75.6(5) . .
C56 K2 W2 72.9(3) 1_565 .
C56 K2 W4 120.0(3) 1_565 .
O5 K2 C56 71.4(3) . 1_565
O5 K2 W2 28.26(15) . .
O5 K2 W4 78.50(17) . .
O11 K2 C56 94.5(3) . 1_565
O11 K2 O5 52.4(2) . .
O11 K2 O12 65.2(2) . .
O11 K2 W2 27.99(15) . .
O11 K2 W4 29.83(15) . .
O12 K2 C56 120.2(3) . 1_565
O12 K2 O5 51.2(2) . .
O12 K2 W2 64.64(18) . .
O12 K2 W4 67.68(17) . .
O24 K2 C56 146.3(3) . 1_565
O24 K2 O5 91.8(2) . .
O24 K2 O11 53.3(2) . .
O24 K2 O12 59.7(2) . .
O24 K2 W2 78.71(19) . .
O24 K2 W4 26.29(16) . .
O24 K2 O1AA 124.8(3) . 7_575
O42 K2 C56 149.4(3) 7_565 1_565
O42 K2 O5 110.3(3) 7_565 .
O42 K2 O11 110.8(3) 7_565 .
O42 K2 O12 60.7(3) 7_565 .
O42 K2 O24 63.5(3) 7_565 .
O42 K2 O51 154.5(3) 7_565 1_565
O42 K2 O52 96.5(3) 7_565 1_565
O42 K2 O53 87.3(3) 7_565 .
O42 K2 W2 123.7(2) 7_565 .
O42 K2 W4 89.5(2) 7_565 .
O42 K2 O1AA 90.2(3) 7_565 7_575
O51 K2 C56 43.3(3) 1_565 1_565
O51 K2 O5 94.7(3) 1_565 .
O51 K2 O11 80.5(3) 1_565 .
O51 K2 O12 141.7(3) 1_565 .
O51 K2 O24 112.8(3) 1_565 .
O51 K2 O52 61.1(3) 1_565 1_565
O51 K2 O53 106.1(3) 1_565 .
O51 K2 W2 77.1(2) 1_565 .
O51 K2 W4 91.2(2) 1_565 .
O51 K2 O1AA 71.1(3) 1_565 7_575
O52 K2 C56 103.1(3) 1_565 1_565
O52 K2 O5 134.5(3) 1_565 .
O52 K2 O11 84.3(3) 1_565 .
O52 K2 O12 127.4(3) 1_565 .
O52 K2 O24 67.7(3) 1_565 .
O52 K2 O53 149.7(4) 1_565 .
O52 K2 W2 106.2(2) 1_565 .
O52 K2 W4 65.3(2) 1_565 .
O52 K2 O1AA 68.6(3) 1_565 7_575
O53 K2 C56 64.1(3) . 1_565
O53 K2 O5 70.1(3) . .
O53 K2 O11 122.4(3) . .
O53 K2 O12 80.5(3) . .
O53 K2 O24 138.2(3) . .
O53 K2 W2 96.2(3) . .
O53 K2 W4 145.0(3) . .
O53 K2 O1AA 81.4(4) . 7_575
W4 K2 W2 57.59(6) . .
O1AA K2 C56 75.7(4) 7_575 1_565
O1AA K2 O5 143.4(3) 7_575 .
O1AA K2 O11 147.6(3) 7_575 .
O1AA K2 O12 146.2(3) 7_575 .
O1AA K2 W2 146.0(3) 7_575 .
O1AA K2 W4 133.5(3) 7_575 .
C1 N1 C12 118.4(11) . .
C1 N1 Cu1 130.1(9) . .
C12 N1 Cu1 111.5(9) . .
C10 N2 C11 118.2(11) . .
C10 N2 Cu1 130.1(9) . .
C11 N2 Cu1 111.7(8) . .
C13 N3 C24 117.0(11) . .
C13 N3 Cu2 129.4(9) . .
C24 N3 Cu2 113.3(9) . .
C22 N4 C23 117.9(11) . .
C22 N4 Cu2 130.7(9) . .
C23 N4 Cu2 110.9(8) . .
C29 N5 C40 117.9(12) . .
C29 N5 Cu3 130.0(9) . .
C40 N5 Cu3 112.1(9) . .
C38 N6 C39 118.0(12) . .
C38 N6 Cu3 129.1(10) . .
C39 N6 Cu3 112.9(9) . .
C41 N7 C52 116.6(12) . .
C41 N7 Cu4 130.6(9) . .
C52 N7 Cu4 112.8(9) . .
C50 N8 C51 120.7(13) . .
C50 N8 Cu4 128.2(10) . .
C51 N8 Cu4 111.1(10) . .
W1 O1 Cu1 134.1(4) . .
W1 O4 W3 126.0(4) . .
W2 O5 K2 101.3(3) . .
W2 O5 W3 124.8(4) . .
W3 O5 K2 100.4(3) . .
W1 O6 K1 102.0(4) . .
W2 O6 K1 107.5(3) . .
W2 O6 W1 124.8(4) . .
W3 O7 W8 144.4(4) . .
W1 O8 W7 153.6(4) . .
W1 O9 K1 103.6(3) . .
W6 O9 K1 102.7(3) . .
W6 O9 W1 153.3(5) . .
W2 O10 K1 102.7(3) . .
W2 O10 W5 150.2(5) . .
W5 O10 K1 105.4(4) . .
W2 O11 K2 103.5(3) . .
W2 O11 W4 155.6(5) . .
W4 O11 K2 99.0(3) . .
Tb1 O12 K2 94.7(3) . .
W3 O12 K2 107.8(4) . .
W3 O12 Tb1 157.5(5) . .
As1 O13 W1 125.0(4) . .
As1 O13 W2 122.8(4) . .
As1 O13 W3 122.3(4) . .
W2 O13 W1 91.7(3) . .
W2 O13 W3 93.8(3) . .
W3 O13 W1 92.5(3) . .
W5 O19 W4 153.5(4) . .
W5 O20 K1 107.4(4) . .
W6 O20 K1 98.6(3) . .
W6 O20 W5 124.6(4) . .
W6 O21 W7 154.0(5) . .
W7 O22 W8 127.1(4) . .
W8 O23 Tb1 161.2(5) . .
Tb1 O24 K2 96.7(3) . .
W4 O24 K2 105.9(3) . .
W4 O24 Tb1 132.7(4) . .
As1 O25 W4 123.4(4) . .
As1 O25 W11 124.0(4) . .
W4 O25 W11 93.4(3) . .
As1 O26 W7 125.4(4) . .
As1 O26 W8 122.8(4) . .
As1 O26 W9 122.8(4) . .
W8 O26 W7 92.5(3) . .
W9 O26 W7 91.3(3) . .
W9 O26 W8 92.9(3) . .
As1 O27 W5 123.6(4) . .
As1 O27 W6 125.8(4) . .
As1 O27 W10 121.8(4) . .
W5 O27 W6 92.0(3) . .
W10 O27 W5 92.3(3) . .
W10 O27 W6 92.0(3) . .
W11 O30 Cu3 147.5(4) . .
W9 O31 W8 125.8(4) . .
W7 O32 W9 124.8(5) . .
W6 O33 W10 124.0(4) . .
W5 O34 W10 122.8(4) . .
W11 O35 W4 122.0(4) . .
W11 O36 Tb1 131.9(4) . .
W9 O37 W11 156.6(5) . .
W10 O38 W9 149.1(5) . .
W10 O39 W11 153.8(4) . .
C57 O41 Tb1 131.0(8) . .
C57 O41 Tb1 91.4(7) . 7_565
Tb1 O41 Tb1 113.0(3) . 7_565
C57 O42 K2 125.1(8) . 7_565
C57 O42 Tb1 96.7(7) . 7_565
Tb1 O42 K2 101.4(3) 7_565 7_565
C25 O43 Cu1 123.9(9) . .
C25 O44 Cu2 132.0(9) . .
C27 O45 Cu1 127.2(9) . .
C27 O45 K1 108.8(8) . .
Cu1 O45 K1 123.6(4) . .
C27 O46 Cu2 126.7(9) . .
C53 O48 Cu3 127.9(11) . .
C53 O49 Cu4 128.9(11) . .
C55 O50 Cu3 125.5(9) . .
C55 O51 Cu4 129.4(9) . .
C55 O51 K2 114.5(8) . 1_545
Cu4 O51 K2 109.5(4) . 1_545
Cu4 O52 K2 100.7(4) . 1_545
C57 Tb1 K2 60.2(3) 7_565 .
O12 Tb1 C57 74.1(3) . 7_565
O12 Tb1 K2 49.6(2) . .
O12 Tb1 O24 79.5(3) . .
O12 Tb1 O36 127.1(3) . .
O12 Tb1 O40 144.6(3) . .
O12 Tb1 O41 129.5(3) . .
O12 Tb1 O41 77.2(3) . 7_565
O12 Tb1 O42 75.4(3) . 7_565
O23 Tb1 C57 111.8(3) . 7_565
O23 Tb1 K2 121.2(2) . .
O23 Tb1 O12 71.7(3) . .
O23 Tb1 O24 126.2(3) . .
O23 Tb1 O36 83.5(3) . .
O23 Tb1 O40 143.5(3) . .
O23 Tb1 O41 88.8(3) . 7_565
O23 Tb1 O41 73.1(3) . .
O23 Tb1 O42 133.4(3) . 7_565
O24 Tb1 C57 102.3(3) . 7_565
O24 Tb1 K2 47.6(2) . .
O24 Tb1 O36 79.0(3) . .
O24 Tb1 O40 78.1(3) . .
O24 Tb1 O41 151.0(3) . .
O24 Tb1 O41 127.9(3) . 7_565
O24 Tb1 O42 77.5(3) . 7_565
O36 Tb1 C57 158.0(3) . 7_565
O36 Tb1 K2 126.4(2) . .
O36 Tb1 O40 74.5(3) . .
O36 Tb1 O41 149.5(3) . 7_565
O36 Tb1 O41 82.6(3) . .
O36 Tb1 O42 143.1(3) . 7_565
O40 Tb1 C57 84.2(3) . 7_565
O40 Tb1 K2 95.4(2) . .
O40 Tb1 O41 95.6(3) . 7_565
O40 Tb1 O42 73.1(3) . 7_565
O41 Tb1 C57 26.3(3) 7_565 7_565
O41 Tb1 C57 86.9(3) . 7_565
O41 Tb1 K2 146.7(2) . .
O41 Tb1 K2 82.55(19) 7_565 .
O41 Tb1 O40 75.4(3) . .
O41 Tb1 O41 67.0(3) . 7_565
O41 Tb1 O42 105.7(3) . 7_565
O42 Tb1 C57 25.5(3) 7_565 7_565
O42 Tb1 K2 41.7(2) 7_565 .
O42 Tb1 O41 51.8(3) 7_565 7_565
O1 W1 K1 80.7(3) . .
O1 W1 O4 102.9(4) . .
O1 W1 O6 99.9(4) . .
O1 W1 O8 104.2(4) . .
O1 W1 O9 102.4(4) . .
O1 W1 O13 168.7(3) . .
O4 W1 K1 136.3(3) . .
O4 W1 O6 88.7(4) . .
O4 W1 O8 92.1(4) . .
O4 W1 O9 154.6(4) . .
O4 W1 O13 71.8(3) . .
O6 W1 K1 48.4(3) . .
O6 W1 O9 84.6(3) . .
O6 W1 O13 70.5(3) . .
O8 W1 K1 129.8(3) . .
O8 W1 O6 155.1(3) . .
O8 W1 O9 84.1(3) . .
O8 W1 O13 86.1(3) . .
O9 W1 K1 46.9(3) . .
O9 W1 O13 82.9(3) . .
O13 W1 K1 96.2(2) . .
K2 W2 K1 170.20(11) . .
O2 W2 K1 86.1(3) . .
O2 W2 K2 84.1(3) . .
O2 W2 O5 99.9(4) . .
O2 W2 O6 100.4(4) . .
O2 W2 O10 102.7(4) . .
O2 W2 O11 103.1(4) . .
O2 W2 O13 168.9(3) . .
O5 W2 K1 132.6(3) . .
O5 W2 K2 50.4(2) . .
O5 W2 O6 87.9(3) . .
O5 W2 O10 157.4(3) . .
O5 W2 O13 71.5(3) . .
O6 W2 K1 45.0(3) . .
O6 W2 K2 137.9(3) . .
O6 W2 O10 87.2(3) . .
O6 W2 O13 72.9(3) . .
O10 W2 K1 49.2(3) . .
O10 W2 K2 133.0(3) . .
O10 W2 O13 85.9(3) . .
O11 W2 K1 134.1(3) . .
O11 W2 K2 48.6(2) . .
O11 W2 O5 90.7(3) . .
O11 W2 O6 156.4(3) . .
O11 W2 O10 85.1(3) . .
O11 W2 O13 84.3(3) . .
O13 W2 K1 94.7(2) . .
O13 W2 K2 95.1(2) . .
O3 W3 K2 88.0(3) . .
O3 W3 O4 98.8(4) . .
O3 W3 O5 101.4(4) . .
O3 W3 O7 103.4(4) . .
O3 W3 O12 103.8(4) . .
O3 W3 O13 165.9(3) . .
O4 W3 K2 132.9(2) . .
O4 W3 O13 69.7(3) . .
O5 W3 K2 50.4(2) . .
O5 W3 O4 82.7(3) . .
O5 W3 O13 69.9(3) . .
O7 W3 K2 140.4(3) . .
O7 W3 O4 83.4(3) . .
O7 W3 O5 153.2(3) . .
O7 W3 O13 83.8(3) . .
O12 W3 K2 47.2(3) . .
O12 W3 O4 157.3(4) . .
O12 W3 O5 90.8(4) . .
O12 W3 O7 93.2(4) . .
O12 W3 O13 87.7(3) . .
O13 W3 K2 94.2(2) . .
O11 W4 K2 51.2(3) . .
O11 W4 O19 81.3(3) . .
O11 W4 O25 85.3(3) . .
O11 W4 O35 154.6(3) . .
O14 W4 K2 88.7(3) . .
O14 W4 O11 102.7(4) . .
O14 W4 O19 96.6(4) . .
O14 W4 O24 102.0(4) . .
O14 W4 O25 172.0(3) . .
O14 W4 O35 99.8(4) . .
O19 W4 K2 132.0(2) . .
O19 W4 O25 83.2(3) . .
O24 W4 K2 47.8(3) . .
O24 W4 O11 93.0(3) . .
O24 W4 O19 161.4(3) . .
O24 W4 O25 78.6(3) . .
O24 W4 O35 93.7(4) . .
O25 W4 K2 97.5(2) . .
O35 W4 K2 141.5(3) . .
O35 W4 O19 84.6(3) . .
O35 W4 O25 72.1(3) . .
O10 W5 K1 47.3(3) . .
O10 W5 O20 85.6(3) . .
O10 W5 O27 83.5(3) . .
O10 W5 O34 156.0(3) . .
O15 W5 K1 87.0(3) . .
O15 W5 O10 103.0(4) . .
O15 W5 O19 104.1(4) . .
O15 W5 O20 100.7(4) . .
O15 W5 O27 169.8(4) . .
O15 W5 O34 100.4(4) . .
O19 W5 K1 134.7(3) . .
O19 W5 O10 87.5(4) . .
O19 W5 O20 155.2(3) . .
O19 W5 O27 83.8(3) . .
O19 W5 O34 91.9(4) . .
O20 W5 K1 45.0(3) . .
O20 W5 O27 71.8(3) . .
O27 W5 K1 91.9(2) . .
O34 W5 K1 129.8(3) . .
O34 W5 O20 85.0(3) . .
O34 W5 O27 72.6(3) . .
O9 W6 K1 48.2(3) . .
O9 W6 O20 89.1(3) . .
O9 W6 O21 85.0(3) . .
O9 W6 O27 83.8(3) . .
O9 W6 O33 155.1(4) . .
O16 W6 K1 81.8(3) . .
O16 W6 O9 102.0(4) . .
O16 W6 O20 101.7(4) . .
O16 W6 O21 103.1(4) . .
O16 W6 O27 171.2(3) . .
O16 W6 O33 102.7(4) . .
O20 W6 K1 51.4(3) . .
O20 W6 O27 71.6(3) . .
O21 W6 K1 132.2(3) . .
O21 W6 O20 155.1(4) . .
O21 W6 O27 83.7(3) . .
O21 W6 O33 86.8(3) . .
O27 W6 K1 97.7(2) . .
O33 W6 K1 139.2(3) . .
O33 W6 O20 88.5(3) . .
O33 W6 O27 71.9(3) . .
O8 W7 O26 85.3(3) . .
O17 W7 O8 103.2(4) . .
O17 W7 O21 103.0(4) . .
O17 W7 O22 102.4(4) . .
O17 W7 O26 169.3(3) . .
O17 W7 O32 100.3(4) . .
O21 W7 O8 83.2(3) . .
O21 W7 O26 84.3(3) . .
O22 W7 O8 88.8(3) . .
O22 W7 O21 154.4(3) . .
O22 W7 O26 70.9(3) . .
O22 W7 O32 89.4(4) . .
O32 W7 O8 156.3(3) . .
O32 W7 O21 88.4(3) . .
O32 W7 O26 71.7(3) . .
O7 W8 O22 84.7(3) . .
O7 W8 O26 83.7(3) . .
O7 W8 O31 153.2(3) . .
O18 W8 O7 103.5(4) . .
O18 W8 O22 99.2(4) . .
O18 W8 O23 104.6(4) . .
O18 W8 O26 166.3(3) . .
O18 W8 O31 101.9(4) . .
O22 W8 O26 69.5(3) . .
O23 W8 O7 90.5(4) . .
O23 W8 O22 156.2(3) . .
O23 W8 O26 86.8(3) . .
O23 W8 O31 91.4(4) . .
O31 W8 O22 82.9(3) . .
O31 W8 O26 69.7(3) . .
O28 W9 O26 169.1(3) . .
O28 W9 O31 100.6(4) . .
O28 W9 O32 100.6(4) . .
O28 W9 O37 103.7(4) . .
O28 W9 O38 102.3(4) . .
O31 W9 O26 71.5(3) . .
O31 W9 O32 86.6(4) . .
O31 W9 O38 156.8(3) . .
O32 W9 O26 72.0(3) . .
O37 W9 O26 84.5(3) . .
O37 W9 O31 93.3(4) . .
O37 W9 O32 155.3(3) . .
O37 W9 O38 85.4(3) . .
O38 W9 O26 85.3(3) . .
O38 W9 O32 85.1(3) . .
O29 W10 O27 167.9(4) . .
O29 W10 O33 99.7(4) . .
O29 W10 O34 98.7(4) . .
O29 W10 O38 102.7(4) . .
O29 W10 O39 105.1(4) . .
O33 W10 O27 72.0(3) . .
O34 W10 O27 72.2(3) . .
O34 W10 O33 84.9(3) . .
O38 W10 O27 86.2(3) . .
O38 W10 O33 87.9(3) . .
O38 W10 O34 158.3(3) . .
O39 W10 O27 83.3(3) . .
O39 W10 O33 155.2(3) . .
O39 W10 O34 90.1(3) . .
O39 W10 O38 87.9(4) . .
O30 W11 O25 172.4(3) . .
O30 W11 O35 100.7(4) . .
O30 W11 O36 102.2(4) . .
O30 W11 O37 103.6(4) . .
O30 W11 O39 97.0(4) . .
O35 W11 O25 71.8(3) . .
O35 W11 O37 153.3(3) . .
O35 W11 O39 84.9(3) . .
O36 W11 O25 79.4(3) . .
O36 W11 O35 93.3(4) . .
O36 W11 O37 92.4(4) . .
O36 W11 O39 160.7(3) . .
O37 W11 O25 83.6(3) . .
O37 W11 O39 81.2(3) . .
O39 W11 O25 81.7(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.400(18) .
C1 N1 1.313(15) .
C2 C3 1.333(17) .
C3 C4 1.403(19) .
C4 C5 1.482(19) .
C4 C12 1.376(18) .
C5 C6 1.34(2) .
C6 C7 1.44(2) .
C7 C8 1.41(2) .
C7 C11 1.390(18) .
C8 C9 1.36(2) .
C9 C10 1.372(18) .
C10 N2 1.309(16) .
C11 C12 1.417(18) .
C11 N2 1.362(17) .
C12 N1 1.342(15) .
C13 C14 1.394(18) .
C13 N3 1.307(16) .
C14 C15 1.344(19) .
C15 C16 1.398(19) .
C16 C17 1.448(19) .
C16 C24 1.396(17) .
C17 C18 1.31(2) .
C18 C19 1.428(18) .
C19 C20 1.402(19) .
C19 C23 1.382(18) .
C20 C21 1.358(18) .
C21 C22 1.353(19) .
C22 N4 1.312(16) .
C23 C24 1.433(18) .
C23 N4 1.367(15) .
C24 N3 1.343(16) .
C25 C26 1.465(18) .
C25 O43 1.272(15) .
C25 O44 1.252(14) .
C27 C28 1.526(19) .
C27 O45 1.232(15) .
C27 O46 1.267(15) .
C28 K1 3.453(17) .
C29 C30 1.373(19) .
C29 N5 1.301(16) .
C30 C31 1.356(19) .
C31 C32 1.393(19) .
C32 C33 1.414(19) .
C32 C40 1.391(19) .
C33 C34 1.37(2) .
C34 C35 1.41(2) .
C35 C36 1.377(19) .
C35 C39 1.383(17) .
C36 C37 1.33(2) .
C37 C38 1.407(18) .
C38 N6 1.346(17) .
C39 C40 1.425(18) .
C39 N6 1.349(17) .
C40 N5 1.364(16) .
C41 C42 1.33(2) .
C41 N7 1.337(17) .
C42 C43 1.39(2) .
C43 C44 1.36(2) .
C44 C45 1.44(2) .
C44 C52 1.40(2) .
C45 C46 1.39(2) .
C46 C47 1.36(2) .
C47 C48 1.40(2) .
C47 C51 1.42(2) .
C48 C49 1.34(2) .
C49 C50 1.40(2) .
C50 N8 1.342(19) .
C51 C52 1.39(2) .
C51 N8 1.354(18) .
C52 N7 1.373(17) .
C53 C54 1.48(3) .
C53 O48 1.266(19) .
C53 O49 1.289(19) .
C55 C56 1.522(18) .
C55 O50 1.266(15) .
C55 O51 1.239(15) .
C56 K2 3.391(15) 1_545
C57 C58 1.513(17) .
C57 O41 1.269(14) .
C57 O42 1.241(14) .
C57 Tb1 2.861(12) 7_565
As1 O13 1.679(8) .
As1 O25 1.657(8) .
As1 O26 1.669(8) .
As1 O27 1.670(8) .
Cu1 Cu2 2.990(2) .
Cu1 N1 1.998(11) .
Cu1 N2 1.989(10) .
Cu1 O1 2.311(8) .
Cu1 O43 1.928(10) .
Cu1 O45 1.936(9) .
Cu2 N3 1.981(10) .
Cu2 N4 2.004(11) .
Cu2 O44 1.960(9) .
Cu2 O46 1.947(9) .
Cu2 O47 2.207(10) .
Cu3 Cu4 3.021(2) .
Cu3 N5 1.989(12) .
Cu3 N6 1.992(11) .
Cu3 O30 2.250(8) .
Cu3 O48 1.945(11) .
Cu3 O50 1.935(9) .
Cu4 K2 3.958(4) 1_545
Cu4 N7 1.983(11) .
Cu4 N8 2.017(11) .
Cu4 O49 1.951(11) .
Cu4 O51 1.954(9) .
Cu4 O52 2.214(10) .
K1 O6 2.928(11) .
K1 O9 2.879(10) .
K1 O10 3.061(11) .
K1 O20 2.977(10) .
K1 O45 3.030(11) .
K1 W1 3.830(6) .
K1 W2 3.948(7) .
K1 W5 4.018(6) .
K1 W6 3.769(6) .
K1 O2AA 2.74(2) .
K2 O5 3.094(9) .
K2 O11 3.034(9) .
K2 O12 3.044(9) .
K2 O24 2.964(9) .
K2 O42 2.708(10) 7_565
K2 O51 2.851(10) 1_565
K2 O52 2.897(10) 1_565
K2 O53 2.948(12) .
K2 W2 3.937(4) .
K2 W4 3.846(4) .
K2 O1AA 2.975(14) 7_575
O1 W1 1.716(8) .
O2 W2 1.702(8) .
O3 W3 1.721(8) .
O4 W1 1.825(8) .
O4 W3 2.049(8) .
O5 W2 1.901(8) .
O5 W3 1.964(8) .
O6 W1 1.935(8) .
O6 W2 1.910(8) .
O7 W3 1.895(8) .
O7 W8 1.932(8) .
O8 W1 1.878(8) .
O8 W7 1.936(8) .
O9 W1 1.936(8) .
O9 W6 1.881(8) .
O10 W2 1.910(8) .
O10 W5 1.913(8) .
O11 W2 1.900(8) .
O11 W4 1.937(8) .
O12 Tb1 2.334(9) .
O12 W3 1.757(9) .
O13 W1 2.417(8) .
O13 W2 2.331(8) .
O13 W3 2.362(8) .
O14 W4 1.717(8) .
O15 W5 1.688(8) .
O16 W6 1.693(9) .
O17 W7 1.706(8) .
O18 W8 1.732(8) .
O19 W4 2.026(8) .
O19 W5 1.828(8) .
O20 W5 1.950(8) .
O20 W6 1.907(8) .
O21 W6 1.897(8) .
O21 W7 1.917(8) .
O22 W7 1.854(8) .
O22 W8 1.997(8) .
O23 Tb1 2.299(8) .
O23 W8 1.774(8) .
O24 Tb1 2.339(8) .
O24 W4 1.771(8) .
O25 W4 2.319(8) .
O25 W11 2.335(8) .
O26 W7 2.403(8) .
O26 W8 2.372(8) .
O26 W9 2.341(8) .
O27 W5 2.355(8) .
O27 W6 2.391(8) .
O27 W10 2.349(8) .
O28 W9 1.689(8) .
O29 W10 1.698(8) .
O30 W11 1.721(8) .
O31 W8 1.953(8) .
O31 W9 1.885(8) .
O32 W7 1.876(8) .
O32 W9 1.952(9) .
O33 W6 1.904(8) .
O33 W10 1.958(8) .
O34 W5 1.914(8) .
O34 W10 1.948(8) .
O35 W4 1.938(8) .
O35 W11 1.934(8) .
O36 Tb1 2.350(8) .
O36 W11 1.763(8) .
O37 W9 1.884(8) .
O37 W11 1.942(8) .
O38 W9 1.925(8) .
O38 W10 1.901(8) .
O39 W10 1.829(8) .
O39 W11 2.031(8) .
O40 Tb1 2.433(9) .
O41 Tb1 2.403(8) .
O41 Tb1 2.534(8) 7_565
O42 Tb1 2.437(9) 7_565

_cod_database_fobs_code 2021393
