#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:21:01 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180035 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/29/7032984.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_7032984
loop_
_publ_author_name
'Wang, Yuan'
'Sun, Xiaopeng'
'Li, Suzhi'
'Ma, Pengtao'
'Wang, Jingping'
'Niu, Jingyang'
_publ_section_title
;
 Synthesis and magnetic properties of tartrate-bridging
 rare-earth-containing polytungstoarsenate aggregates from an adaptive
 precursor [As2W19O67(H2O)](14-).
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              733
_journal_page_last               738
_journal_paper_doi               10.1039/c4dt01703j
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C16 H72 As2 Ho4 K13 Li O118 W18'
_chemical_formula_weight         6786.58
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.2820(10)
_cell_angle_beta                 101.371(2)
_cell_angle_gamma                107.5420(10)
_cell_formula_units_Z            1
_cell_length_a                   11.9933(11)
_cell_length_b                   15.2025(13)
_cell_length_c                   19.8114(17)
_cell_measurement_reflns_used    5092
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.32
_cell_measurement_theta_min      2.44
_cell_volume                     3168.6(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0398
_diffrn_reflns_av_sigmaI/netI    0.0761
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            16247
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.87
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    19.786
_exptl_absorpt_correction_T_max  0.0976
_exptl_absorpt_correction_T_min  0.0832
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS v.2.10 (Bruker, 2003) was used for 
 absorption correction. Estimated minimum and maximum transmission: 0.3153 
 and 0.7457. The Ratio of minimum to maximum transmission is 0.4228. 
 The λ/2 correction factor is 0.0015."
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.549
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3017
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.22
_refine_diff_density_max         2.213
_refine_diff_density_min         -3.270
_refine_diff_density_rms         0.402
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     466
_refine_ls_number_reflns         11069
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0671
_refine_ls_R_factor_gt           0.0483
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0647P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1185
_refine_ls_wR_factor_ref         0.1294
_reflns_number_gt                8537
_reflns_number_total             11069
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt01703j2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 7032984--7032989.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7032984
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
W1 W 0.51468(6) -0.06977(5) 0.77079(3) 0.01722(15) Uani 1 1 d .
W2 W 0.78076(6) -0.10001(5) 0.80483(3) 0.01803(16) Uani 1 1 d .
W3 W 0.71055(6) 0.04053(5) 0.94309(3) 0.01641(15) Uani 1 1 d .
W4 W 1.06715(6) 0.10266(5) 0.83922(3) 0.01897(16) Uani 1 1 d .
W5 W 1.00535(5) 0.24759(5) 0.98096(3) 0.01591(15) Uani 1 1 d .
W6 W 1.07398(6) 0.32640(5) 0.84314(4) 0.01961(16) Uani 1 1 d .
W7 W 0.70859(5) 0.28085(5) 0.93704(3) 0.01496(15) Uani 1 1 d .
W8 W 0.78070(6) 0.36521(5) 0.80480(3) 0.01810(16) Uani 1 1 d .
W9 W 0.51428(5) 0.16984(4) 0.76175(3) 0.01465(15) Uani 1 1 d .
Ho1 Ho 0.50521(6) -0.03413(5) 0.58335(4) 0.01615(17) Uani 1 1 d .
Ho2 Ho 0.62820(7) 0.22580(5) 0.60828(4) 0.02017(18) Uani 1 1 d .
As1 As 0.78509(13) 0.12341(11) 0.78449(8) 0.0117(3) Uani 1 1 d .
K1 K 1.0000 0.0000 1.0000 0.0361(14) Uani 1 2 d S
K2 K 1.0000 0.5000 1.0000 0.0383(15) Uani 1 2 d S
K3 K 0.1226(5) 0.1715(4) 0.6637(3) 0.0591(14) Uani 1 1 d .
K4 K 0.4221(4) 0.1148(4) 0.9325(3) 0.0544(14) Uani 1 1 d .
K5 K 0.4438(5) 0.5478(4) 0.9308(3) 0.0655(16) Uani 1 1 d .
K6 K 0.2022(6) -0.0408(5) 0.7161(3) 0.0509(17) Uani 0.75 1 d P
K7 K 0.6839(6) 0.6192(4) 0.8296(3) 0.0508(17) Uani 0.75 1 d P
K8 K 0.9464(3) 0.3065(3) 0.6632(2) 0.0276(8) Uani 1 1 d .
O1 O 0.3652(11) -0.1514(8) 0.7476(6) 0.031(3) Uiso 1 1 d .
O2 O 0.6017(10) -0.1521(8) 0.7805(6) 0.025(3) Uiso 1 1 d .
O3 O 0.5491(10) -0.0311(8) 0.8802(5) 0.020(2) Uiso 1 1 d .
O4 O 0.5401(9) -0.0682(7) 0.6860(5) 0.019(2) Uiso 1 1 d .
O5 O 0.4854(9) 0.0532(7) 0.7843(5) 0.018(2) Uiso 1 1 d .
O6 O 0.7214(9) 0.0335(7) 0.8247(5) 0.016(2) Uiso 1 1 d .
O7 O 0.8091(11) -0.2043(8) 0.8070(6) 0.030(3) Uiso 1 1 d .
O8 O 0.7633(8) -0.0611(7) 0.9114(5) 0.011(2) Uiso 1 1 d .
O9 O 0.7803(11) -0.0993(8) 0.7162(6) 0.029(3) Uiso 1 1 d .
O10 O 0.9428(9) -0.0021(7) 0.8518(5) 0.019(2) Uiso 1 1 d .
O11 O 0.6905(10) 0.0308(8) 1.0257(6) 0.027(3) Uiso 1 1 d .
O12 O 0.8758(9) 0.1346(7) 0.9763(5) 0.018(2) Uiso 1 1 d .
O13 O 0.6689(9) 0.1568(7) 0.9460(5) 0.016(2) Uiso 1 1 d .
O14 O 1.1901(11) 0.0683(9) 0.8545(6) 0.035(3) Uiso 1 1 d .
O15 O 1.0106(11) 0.0607(8) 0.7446(6) 0.029(3) Uiso 1 1 d .
O16 O 1.0938(10) 0.1719(8) 0.9530(6) 0.022(2) Uiso 1 1 d .
O17 O 1.1567(10) 0.2392(8) 0.8469(6) 0.022(2) Uiso 1 1 d .
O18 O 0.9343(9) 0.1841(7) 0.8506(5) 0.014(2) Uiso 1 1 d .
O19 O 1.0758(10) 0.3003(8) 1.0732(6) 0.025(3) Uiso 1 1 d .
O20 O 1.0920(9) 0.3490(7) 0.9500(5) 0.020(2) Uiso 1 1 d .
O21 O 0.8729(9) 0.3014(7) 0.9700(5) 0.017(2) Uiso 1 1 d .
O22 O 1.1942(10) 0.4316(8) 0.8551(6) 0.028(3) Uiso 1 1 d .
O23 O 1.0039(10) 0.2712(8) 0.7441(6) 0.024(3) Uiso 1 1 d .
O24 O 0.9433(10) 0.3777(8) 0.8456(6) 0.025(3) Uiso 1 1 d .
O25 O 0.6842(10) 0.3460(8) 1.0148(6) 0.024(3) Uiso 1 1 d .
O26 O 0.7587(9) 0.3908(7) 0.8993(5) 0.017(2) Uiso 1 1 d .
O27 O 0.5496(9) 0.2412(7) 0.8683(5) 0.020(2) Uiso 1 1 d .
O28 O 0.7212(9) 0.2101(7) 0.8218(5) 0.013(2) Uiso 1 1 d .
O29 O 0.8037(10) 0.4794(8) 0.7969(6) 0.027(3) Uiso 1 1 d .
O30 O 0.6059(10) 0.3016(8) 0.7601(6) 0.023(2) Uiso 1 1 d .
O31 O 0.7913(10) 0.2886(8) 0.7136(6) 0.025(3) Uiso 1 1 d .
O32 O 0.3674(10) 0.1662(8) 0.7318(6) 0.026(3) Uiso 1 1 d .
O33 O 0.5467(10) 0.1193(8) 0.6777(5) 0.020(2) Uiso 1 1 d .
O34 O 0.6930(10) 0.0936(8) 0.5886(6) 0.026(3) Uiso 1 1 d .
O35 O 0.8742(13) 0.1240(10) 0.5675(7) 0.047(4) Uiso 1 1 d .
O36 O 0.6752(10) -0.0832(8) 0.5907(6) 0.027(3) Uiso 1 1 d .
O37 O 0.5499(9) -0.0747(7) 0.4684(5) 0.016(2) Uiso 1 1 d .
O38 O 0.5465(11) -0.2576(9) 0.4035(6) 0.031(3) Uiso 1 1 d .
O39 O 0.7501(12) -0.2061(9) 0.4361(7) 0.038(3) Uiso 1 1 d .
O40 O 0.6896(11) 0.3861(9) 0.6047(7) 0.035(3) Uiso 1 1 d .
O41 O 0.7530(16) 0.4715(12) 0.5357(9) 0.071(5) Uiso 1 1 d .
O42 O 0.8267(10) 0.2866(8) 0.5836(6) 0.028(3) Uiso 1 1 d .
O43 O 0.6050(10) 0.1965(8) 0.4831(6) 0.025(3) Uiso 1 1 d .
O44 O 0.6918(11) 0.0802(8) 0.4053(6) 0.029(3) Uiso 1 1 d .
O45 O 0.8543(13) 0.2017(10) 0.4117(7) 0.044(3) Uiso 1 1 d .
C1 C 0.7802(16) 0.0671(13) 0.5724(9) 0.028(4) Uiso 1 1 d .
C2 C 0.7485(15) -0.0397(11) 0.5492(8) 0.021(4) Uiso 1 1 d .
H2 H 0.8224 -0.0555 0.5531 0.025 Uiso 1 1 calc R
C3 C 0.6648(15) -0.0836(12) 0.4689(9) 0.025(4) Uiso 1 1 d .
H3 H 0.7025 -0.0450 0.4411 0.030 Uiso 1 1 calc R
C4 C 0.6529(16) -0.1919(13) 0.4338(9) 0.029(4) Uiso 1 1 d .
C5 C 0.7448(18) 0.4024(14) 0.5599(10) 0.037(5) Uiso 1 1 d .
C6 C 0.8002(15) 0.3256(12) 0.5286(9) 0.025(4) Uiso 1 1 d .
H6 H 0.8741 0.3564 0.5163 0.030 Uiso 1 1 calc R
C7 C 0.7016(16) 0.2425(13) 0.4610(9) 0.029(4) Uiso 1 1 d .
H7 H 0.6719 0.2721 0.4264 0.035 Uiso 1 1 calc R
C8 C 0.7562(16) 0.1728(12) 0.4231(9) 0.026(4) Uiso 1 1 d .
O1W O 0.6683(12) 0.5390(10) 0.9522(7) 0.044(3) Uiso 1 1 d .
O2W O 0.0527(16) 0.3373(12) 0.2232(9) 0.069(5) Uiso 1 1 d .
O3W O 0.0570(15) -0.0227(12) 0.5706(9) 0.069(5) Uiso 1 1 d .
O4W O 0.3366(17) 0.2329(13) 1.0430(10) 0.076(5) Uiso 1 1 d .
O5W O 0.5878(18) 0.6528(14) 1.0872(10) 0.083(6) Uiso 1 1 d .
O6W O 0.4207(16) 0.8123(12) 0.9163(9) 0.074(5) Uiso 1 1 d .
O7W O -0.053(2) -0.1489(17) 0.6530(13) 0.121(8) Uiso 1 1 d .
O8W O 0.479(2) 0.4365(19) 0.7795(14) 0.092(8) Uiso 0.75 1 d P
O9W O 0.008(3) 0.465(2) 0.6986(16) 0.107(9) Uiso 0.75 1 d P
O10W O 0.909(3) 0.709(3) 0.4916(19) 0.076(10) Uiso 0.50 1 d P
O11W O 0.232(4) 0.385(3) 0.697(2) 0.088(12) Uiso 0.50 1 d P
O12W O 0.673(3) 0.562(2) 0.6845(18) 0.070(9) Uiso 0.50 1 d P
O13W O 0.121(3) -0.154(3) 0.8204(19) 0.080(11) Uiso 0.50 1 d P
O14W O 0.423(4) 0.635(3) 0.824(2) 0.089(12) Uiso 0.50 1 d P
O15W O 0.884(3) 0.390(2) 0.1492(19) 0.075(10) Uiso 0.50 1 d P
O16W O 0.557(3) 0.708(2) 0.5833(18) 0.071(10) Uiso 0.50 1 d P
O17W O 0.779(5) 0.306(3) 0.244(3) 0.122 Uiso 0.50 1 d P
O18W O 0.826(5) 0.496(4) 0.412(3) 0.130(17) Uiso 0.50 1 d P
O19W O 0.013(5) 0.638(4) 0.625(3) 0.129(17) Uiso 0.50 1 d P
O20W O 0.395(6) 0.425(4) 0.607(3) 0.16(2) Uiso 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'
O O 0.0106 0.0060 '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'
Ho Ho -0.2175 4.6783 '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'
K K 0.2009 0.2494 '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
O1 W1 O4 105.0(5) . .
O1 W1 O2 101.0(5) . .
O4 W1 O2 92.6(5) . .
O1 W1 O5 99.4(5) . .
O4 W1 O5 89.8(4) . .
O2 W1 O5 158.1(5) . .
O1 W1 O3 96.7(5) . .
O4 W1 O3 158.2(5) . .
O2 W1 O3 85.3(4) . .
O5 W1 O3 84.4(4) . .
O1 W1 O6 168.1(4) . .
O4 W1 O6 86.1(4) . .
O2 W1 O6 73.8(4) . .
O5 W1 O6 84.7(4) . .
O3 W1 O6 72.5(4) . .
O1 W1 K6 48.1(4) . .
O4 W1 K6 92.5(3) . .
O2 W1 K6 148.9(4) . .
O5 W1 K6 52.6(3) . .
O3 W1 K6 100.5(3) . .
O6 W1 K6 137.3(3) . .
O7 W2 O9 103.6(5) . .
O7 W2 O10 100.2(5) . .
O9 W2 O10 94.6(5) . .
O7 W2 O2 99.9(5) . .
O9 W2 O2 94.2(5) . .
O10 W2 O2 155.3(4) . .
O7 W2 O8 95.4(4) . .
O9 W2 O8 160.9(4) . .
O10 W2 O8 83.7(4) . .
O2 W2 O8 80.4(4) . .
O7 W2 O6 165.7(5) . .
O9 W2 O6 89.5(4) . .
O10 W2 O6 84.0(4) . .
O2 W2 O6 73.1(4) . .
O8 W2 O6 71.3(3) . .
O7 W2 K1 80.7(4) . .
O9 W2 K1 140.4(4) . .
O10 W2 K1 46.5(3) . .
O2 W2 K1 124.2(3) . .
O8 W2 K1 44.5(3) . .
O6 W2 K1 92.8(2) . .
O11 W3 O8 101.3(5) . .
O11 W3 O3 100.4(5) . .
O8 W3 O3 93.7(4) . .
O11 W3 O12 100.7(5) . .
O8 W3 O12 90.8(4) . .
O3 W3 O12 157.2(4) . .
O11 W3 O13 99.0(5) . .
O8 W3 O13 159.6(4) . .
O3 W3 O13 84.8(4) . .
O12 W3 O13 83.2(4) . .
O11 W3 O6 173.0(4) . .
O8 W3 O6 74.8(4) . .
O3 W3 O6 74.4(4) . .
O12 W3 O6 85.3(4) . .
O13 W3 O6 85.2(4) . .
O11 W3 K1 86.0(4) . .
O8 W3 K1 45.4(3) . .
O3 W3 K1 138.8(3) . .
O12 W3 K1 51.9(3) . .
O13 W3 K1 134.7(3) . .
O6 W3 K1 95.0(2) . .
O11 W3 K4 82.7(4) . .
O8 W3 K4 144.6(3) . .
O3 W3 K4 51.3(3) . .
O12 W3 K4 123.3(3) . .
O13 W3 K4 41.2(3) . .
O6 W3 K4 97.1(2) . .
K1 W3 K4 166.55(8) . .
O11 W3 K4 27.5(4) . 2_657
O8 W3 K4 83.1(3) . 2_657
O3 W3 K4 81.2(3) . 2_657
O12 W3 K4 121.6(3) . 2_657
O13 W3 K4 116.7(3) . 2_657
O6 W3 K4 145.6(3) . 2_657
K1 W3 K4 87.53(6) . 2_657
K4 W3 K4 85.86(9) . 2_657
O14 W4 O15 103.3(5) . .
O14 W4 O10 101.2(5) . .
O15 W4 O10 95.4(5) . .
O14 W4 O17 97.9(5) . .
O15 W4 O17 94.0(5) . .
O10 W4 O17 156.2(4) . .
O14 W4 O16 94.1(5) . .
O15 W4 O16 162.5(5) . .
O10 W4 O16 82.2(4) . .
O17 W4 O16 82.3(4) . .
O14 W4 O18 163.5(5) . .
O15 W4 O18 91.4(4) . .
O10 W4 O18 84.7(4) . .
O17 W4 O18 73.2(4) . .
O16 W4 O18 71.2(4) . .
O14 W4 K6 46.0(4) . 1_655
O15 W4 K6 57.3(4) . 1_655
O10 W4 K6 101.3(3) . 1_655
O17 W4 K6 102.2(3) . 1_655
O16 W4 K6 140.1(3) . 1_655
O18 W4 K6 148.4(3) . 1_655
O14 W4 K3 94.8(4) . 1_655
O15 W4 K3 38.0(4) . 1_655
O10 W4 K3 133.3(3) . 1_655
O17 W4 K3 58.2(3) . 1_655
O16 W4 K3 140.2(3) . 1_655
O18 W4 K3 92.1(2) . 1_655
K6 W4 K3 61.06(13) 1_655 1_655
O14 W4 K1 82.9(4) . .
O15 W4 K1 136.2(4) . .
O10 W4 K1 41.6(3) . .
O17 W4 K1 128.5(3) . .
O16 W4 K1 46.6(3) . .
O18 W4 K1 91.8(2) . .
K6 W4 K1 113.43(11) 1_655 .
K3 W4 K1 173.14(8) 1_655 .
O19 W5 O16 101.4(5) . .
O19 W5 O20 99.5(5) . .
O16 W5 O20 93.0(5) . .
O19 W5 O12 101.1(5) . .
O16 W5 O12 90.6(4) . .
O20 W5 O12 158.0(4) . .
O19 W5 O21 101.0(5) . .
O16 W5 O21 157.5(4) . .
O20 W5 O21 85.5(4) . .
O12 W5 O21 82.9(4) . .
O19 W5 O18 172.1(5) . .
O16 W5 O18 74.5(4) . .
O20 W5 O18 74.2(4) . .
O12 W5 O18 85.9(4) . .
O21 W5 O18 83.6(4) . .
O19 W5 K2 83.0(4) . .
O16 W5 K2 140.4(3) . .
O20 W5 K2 47.8(3) . .
O12 W5 K2 127.6(3) . .
O21 W5 K2 45.7(3) . .
O18 W5 K2 95.9(2) . .
O19 W5 K1 87.5(4) . .
O16 W5 K1 48.5(3) . .
O20 W5 K1 141.4(3) . .
O12 W5 K1 47.9(3) . .
O21 W5 K1 130.7(3) . .
O18 W5 K1 94.4(2) . .
K2 W5 K1 168.377(18) . .
O22 W6 O23 104.3(5) . .
O22 W6 O17 100.4(5) . .
O23 W6 O17 93.8(5) . .
O22 W6 O24 100.2(5) . .
O23 W6 O24 87.0(5) . .
O17 W6 O24 158.5(5) . .
O22 W6 O20 96.9(5) . .
O23 W6 O20 158.4(5) . .
O17 W6 O20 86.7(4) . .
O24 W6 O20 84.8(4) . .
O22 W6 O18 167.9(4) . .
O23 W6 O18 86.6(4) . .
O17 W6 O18 73.3(4) . .
O24 W6 O18 85.3(4) . .
O20 W6 O18 72.7(4) . .
O22 W6 K8 90.6(4) . .
O23 W6 K8 20.5(3) . .
O17 W6 K8 111.7(3) . .
O24 W6 K8 74.2(3) . .
O20 W6 K8 158.6(3) . .
O18 W6 K8 101.3(2) . .
O22 W6 K2 84.6(4) . .
O23 W6 K2 132.9(3) . .
O17 W6 K2 130.6(3) . .
O24 W6 K2 46.0(3) . .
O20 W6 K2 44.1(3) . .
O18 W6 K2 91.8(2) . .
K8 W6 K2 117.44(7) . .
O22 W6 K3 93.3(4) . 1_655
O23 W6 K3 38.7(3) . 1_655
O17 W6 K3 59.0(3) . 1_655
O24 W6 K3 125.7(3) . 1_655
O20 W6 K3 145.5(3) . 1_655
O18 W6 K3 92.1(2) . 1_655
K8 W6 K3 53.13(10) . 1_655
K2 W6 K3 170.41(8) . 1_655
O25 W7 O21 102.3(5) . .
O25 W7 O13 100.8(5) . .
O21 W7 O13 89.1(4) . .
O25 W7 O27 99.0(5) . .
O21 W7 O27 158.3(4) . .
O13 W7 O27 91.3(4) . .
O25 W7 O26 96.9(5) . .
O21 W7 O26 87.5(4) . .
O13 W7 O26 162.3(4) . .
O27 W7 O26 85.6(4) . .
O25 W7 O28 168.5(4) . .
O21 W7 O28 85.5(4) . .
O13 W7 O28 87.6(4) . .
O27 W7 O28 72.8(4) . .
O26 W7 O28 74.8(4) . .
O25 W7 K4 78.2(4) . .
O21 W7 K4 137.7(3) . .
O13 W7 K4 50.3(3) . .
O27 W7 K4 51.8(3) . .
O26 W7 K4 134.7(3) . .
O28 W7 K4 101.8(3) . .
O25 W7 K2 83.0(4) . .
O21 W7 K2 45.7(3) . .
O13 W7 K2 133.5(3) . .
O27 W7 K2 134.3(3) . .
O26 W7 K2 49.2(3) . .
O28 W7 K2 96.8(2) . .
K4 W7 K2 161.22(10) . .
O29 W8 O24 101.3(5) . .
O29 W8 O26 99.4(5) . .
O24 W8 O26 89.9(4) . .
O29 W8 O30 100.3(5) . .
O24 W8 O30 158.1(5) . .
O26 W8 O30 90.2(4) . .
O29 W8 O31 103.8(5) . .
O24 W8 O31 86.0(5) . .
O26 W8 O31 156.8(4) . .
O30 W8 O31 85.3(5) . .
O29 W8 O28 170.7(4) . .
O24 W8 O28 85.8(4) . .
O26 W8 O28 74.5(4) . .
O30 W8 O28 73.2(4) . .
O31 W8 O28 82.4(4) . .
O29 W8 K8 90.6(4) . .
O24 W8 K8 65.9(3) . .
O26 W8 K8 155.3(3) . .
O30 W8 K8 110.2(3) . .
O31 W8 K8 26.4(3) . .
O28 W8 K8 97.8(2) . .
O29 W8 K2 87.2(4) . .
O24 W8 K2 48.9(3) . .
O26 W8 K2 46.2(3) . .
O30 W8 K2 136.4(3) . .
O31 W8 K2 134.8(3) . .
O28 W8 K2 93.2(2) . .
K8 W8 K2 112.58(6) . .
O32 W9 O33 103.6(5) . .
O32 W9 O5 101.7(5) . .
O33 W9 O5 93.8(4) . .
O32 W9 O30 98.7(5) . .
O33 W9 O30 86.9(5) . .
O5 W9 O30 158.9(4) . .
O32 W9 O27 98.2(5) . .
O33 W9 O27 157.5(4) . .
O5 W9 O27 87.3(4) . .
O30 W9 O27 84.2(4) . .
O32 W9 O28 166.7(4) . .
O33 W9 O28 86.6(4) . .
O5 W9 O28 85.8(4) . .
O30 W9 O28 73.1(4) . .
O27 W9 O28 71.0(4) . .
O32 W9 K6 50.1(4) . .
O33 W9 K6 95.9(4) . .
O5 W9 K6 52.5(3) . .
O30 W9 K6 148.5(3) . .
O27 W9 K6 102.4(3) . .
O28 W9 K6 138.3(3) . .
O32 W9 K4 85.9(4) . .
O33 W9 K4 144.9(3) . .
O5 W9 K4 51.1(3) . .
O30 W9 K4 125.6(3) . .
O27 W9 K4 41.8(3) . .
O28 W9 K4 90.5(2) . .
K6 W9 K4 64.18(12) . .
O4 Ho1 O43 90.7(4) . 2_656
O4 Ho1 O44 80.1(4) . 2_656
O43 Ho1 O44 69.4(4) 2_656 2_656
O4 Ho1 O37 143.8(3) . 2_656
O43 Ho1 O37 114.6(4) 2_656 2_656
O44 Ho1 O37 85.0(4) 2_656 2_656
O4 Ho1 O36 73.0(4) . .
O43 Ho1 O36 83.8(4) 2_656 .
O44 Ho1 O36 141.6(4) 2_656 .
O37 Ho1 O36 132.2(4) 2_656 .
O4 Ho1 O37 137.4(3) . .
O43 Ho1 O37 70.7(4) 2_656 .
O44 Ho1 O37 124.1(4) 2_656 .
O37 Ho1 O37 77.7(4) 2_656 .
O36 Ho1 O37 67.3(3) . .
O4 Ho1 O33 76.7(4) . .
O43 Ho1 O33 153.7(4) 2_656 .
O44 Ho1 O33 85.6(4) 2_656 .
O37 Ho1 O33 69.4(3) 2_656 .
O36 Ho1 O33 113.4(4) . .
O37 Ho1 O33 133.3(3) . .
O4 Ho1 O34 108.0(4) . .
O43 Ho1 O34 137.2(4) 2_656 .
O44 Ho1 O34 150.0(4) 2_656 .
O37 Ho1 O34 71.5(3) 2_656 .
O36 Ho1 O34 66.5(4) . .
O37 Ho1 O34 69.6(3) . .
O33 Ho1 O34 69.1(4) . .
O4 Ho1 Ho2 114.7(3) . .
O43 Ho1 Ho2 154.4(3) 2_656 .
O44 Ho1 Ho2 110.7(3) 2_656 .
O37 Ho1 Ho2 42.2(2) 2_656 .
O36 Ho1 Ho2 105.3(3) . .
O37 Ho1 Ho2 90.5(2) . .
O33 Ho1 Ho2 43.1(2) . .
O34 Ho1 Ho2 39.4(2) . .
O4 Ho1 Ho1 171.8(3) . 2_656
O43 Ho1 Ho1 92.8(3) 2_656 2_656
O44 Ho1 Ho1 108.0(3) 2_656 2_656
O37 Ho1 Ho1 39.4(2) 2_656 2_656
O36 Ho1 Ho1 100.1(3) . 2_656
O37 Ho1 Ho1 38.3(2) . 2_656
O33 Ho1 Ho1 102.9(2) . 2_656
O34 Ho1 Ho1 64.7(2) . 2_656
Ho2 Ho1 Ho1 62.33(2) . 2_656
O4 Ho1 Ho2 124.4(3) . 2_656
O43 Ho1 Ho2 35.4(3) 2_656 2_656
O44 Ho1 Ho2 87.9(3) 2_656 2_656
O37 Ho1 Ho2 87.5(2) 2_656 2_656
O36 Ho1 Ho2 85.4(3) . 2_656
O37 Ho1 Ho2 39.3(2) . 2_656
O33 Ho1 Ho2 156.4(2) . 2_656
O34 Ho1 Ho2 108.8(2) . 2_656
Ho2 Ho1 Ho2 120.26(2) . 2_656
Ho1 Ho1 Ho2 57.92(2) 2_656 2_656
O38 Ho2 O31 125.8(4) 2_656 .
O38 Ho2 O34 140.5(4) 2_656 .
O31 Ho2 O34 81.6(4) . .
O38 Ho2 O43 90.5(4) 2_656 .
O31 Ho2 O43 135.7(4) . .
O34 Ho2 O43 83.9(4) . .
O38 Ho2 O40 76.5(4) 2_656 .
O31 Ho2 O40 86.1(4) . .
O34 Ho2 O40 139.1(4) . .
O43 Ho2 O40 78.2(4) . .
O38 Ho2 O37 70.1(4) 2_656 2_656
O31 Ho2 O37 141.8(4) . 2_656
O34 Ho2 O37 71.5(4) . 2_656
O43 Ho2 O37 68.7(4) . 2_656
O40 Ho2 O37 131.8(4) . 2_656
O38 Ho2 O42 137.8(4) 2_656 .
O31 Ho2 O42 68.3(4) . .
O34 Ho2 O42 75.0(4) . .
O43 Ho2 O42 67.5(4) . .
O40 Ho2 O42 64.3(4) . .
O37 Ho2 O42 126.6(3) 2_656 .
O38 Ho2 O33 86.8(4) 2_656 .
O31 Ho2 O33 79.3(4) . .
O34 Ho2 O33 69.7(4) . .
O43 Ho2 O33 133.0(4) . .
O40 Ho2 O33 145.3(4) . .
O37 Ho2 O33 66.3(3) 2_656 .
O42 Ho2 O33 134.8(3) . .
O38 Ho2 K8 150.6(3) 2_656 .
O31 Ho2 K8 39.9(3) . .
O34 Ho2 K8 68.8(3) . .
O43 Ho2 K8 95.9(3) . .
O40 Ho2 K8 76.8(3) . .
O37 Ho2 K8 138.8(2) 2_656 .
O42 Ho2 K8 29.5(3) . .
O33 Ho2 K8 108.9(2) . .
O38 Ho2 Ho1 100.0(3) 2_656 .
O31 Ho2 Ho1 102.7(3) . .
O34 Ho2 Ho1 41.8(3) . .
O43 Ho2 Ho1 93.5(3) . .
O40 Ho2 Ho1 170.8(3) . .
O37 Ho2 Ho1 39.8(2) 2_656 .
O42 Ho2 Ho1 116.2(3) . .
O33 Ho2 Ho1 41.3(2) . .
K8 Ho2 Ho1 108.19(7) . .
O38 Ho2 Ho1 90.8(3) 2_656 2_656
O31 Ho2 Ho1 142.9(3) . 2_656
O34 Ho2 Ho1 63.5(3) . 2_656
O43 Ho2 Ho1 34.3(3) . 2_656
O40 Ho2 Ho1 111.5(3) . 2_656
O37 Ho2 Ho1 38.2(2) 2_656 2_656
O42 Ho2 Ho1 89.6(3) . 2_656
O33 Ho2 Ho1 98.7(2) . 2_656
K8 Ho2 Ho1 110.42(7) . 2_656
Ho1 Ho2 Ho1 59.74(2) . 2_656
O28 As1 O18 96.9(4) . .
O28 As1 O6 97.4(4) . .
O18 As1 O6 97.8(4) . .
O8 K1 O8 180.000(2) . 2_757
O8 K1 O10 57.1(3) . .
O8 K1 O10 122.9(3) 2_757 .
O8 K1 O10 122.9(3) . 2_757
O8 K1 O10 57.1(3) 2_757 2_757
O10 K1 O10 180.000(3) . 2_757
O8 K1 O12 56.0(3) . .
O8 K1 O12 124.0(3) 2_757 .
O10 K1 O12 66.3(3) . .
O10 K1 O12 113.7(3) 2_757 .
O8 K1 O12 124.0(3) . 2_757
O8 K1 O12 56.0(3) 2_757 2_757
O10 K1 O12 113.7(3) . 2_757
O10 K1 O12 66.3(3) 2_757 2_757
O12 K1 O12 180.000(4) . 2_757
O8 K1 O16 94.1(3) . .
O8 K1 O16 85.9(3) 2_757 .
O10 K1 O16 54.5(3) . .
O10 K1 O16 125.5(3) 2_757 .
O12 K1 O16 53.4(3) . .
O12 K1 O16 126.6(3) 2_757 .
O8 K1 O16 85.9(3) . 2_757
O8 K1 O16 94.1(3) 2_757 2_757
O10 K1 O16 125.5(3) . 2_757
O10 K1 O16 54.5(3) 2_757 2_757
O12 K1 O16 126.6(3) . 2_757
O12 K1 O16 53.4(3) 2_757 2_757
O16 K1 O16 180.0(2) . 2_757
O8 K1 W3 28.57(19) . .
O8 K1 W3 151.43(19) 2_757 .
O10 K1 W3 67.6(2) . .
O10 K1 W3 112.4(2) 2_757 .
O12 K1 W3 30.8(2) . .
O12 K1 W3 149.2(2) 2_757 .
O16 K1 W3 80.5(2) . .
O16 K1 W3 99.5(2) 2_757 .
O8 K1 W3 151.43(19) . 2_757
O8 K1 W3 28.57(19) 2_757 2_757
O10 K1 W3 112.4(2) . 2_757
O10 K1 W3 67.6(2) 2_757 2_757
O12 K1 W3 149.2(2) . 2_757
O12 K1 W3 30.8(2) 2_757 2_757
O16 K1 W3 99.5(2) . 2_757
O16 K1 W3 80.5(2) 2_757 2_757
W3 K1 W3 180.00(2) . 2_757
O8 K1 W2 32.41(19) . .
O8 K1 W2 147.59(19) 2_757 .
O10 K1 W2 29.0(2) . .
O10 K1 W2 151.0(2) 2_757 .
O12 K1 W2 68.83(19) . .
O12 K1 W2 111.17(19) 2_757 .
O16 K1 W2 80.3(2) . .
O16 K1 W2 99.7(2) 2_757 .
W3 K1 W2 53.855(14) . .
W3 K1 W2 126.145(14) 2_757 .
O8 K1 W2 147.59(19) . 2_757
O8 K1 W2 32.41(19) 2_757 2_757
O10 K1 W2 151.0(2) . 2_757
O10 K1 W2 29.0(2) 2_757 2_757
O12 K1 W2 111.17(19) . 2_757
O12 K1 W2 68.83(19) 2_757 2_757
O16 K1 W2 99.7(2) . 2_757
O16 K1 W2 80.3(2) 2_757 2_757
W3 K1 W2 126.145(14) . 2_757
W3 K1 W2 53.855(14) 2_757 2_757
W2 K1 W2 180.0 . 2_757
O21 K2 O21 180.000(2) 2_767 .
O21 K2 O26 123.8(3) 2_767 .
O21 K2 O26 56.2(3) . .
O21 K2 O26 56.2(3) 2_767 2_767
O21 K2 O26 123.8(3) . 2_767
O26 K2 O26 180.000(1) . 2_767
O21 K2 O20 55.9(3) 2_767 2_767
O21 K2 O20 124.1(3) . 2_767
O26 K2 O20 85.6(3) . 2_767
O26 K2 O20 94.4(3) 2_767 2_767
O21 K2 O20 124.1(3) 2_767 .
O21 K2 O20 55.9(3) . .
O26 K2 O20 94.4(3) . .
O26 K2 O20 85.6(3) 2_767 .
O20 K2 O20 180.000(4) 2_767 .
O21 K2 O24 66.4(3) 2_767 2_767
O21 K2 O24 113.6(3) . 2_767
O26 K2 O24 125.2(3) . 2_767
O26 K2 O24 54.8(3) 2_767 2_767
O20 K2 O24 54.7(3) 2_767 2_767
O20 K2 O24 125.3(3) . 2_767
O21 K2 O24 113.6(3) 2_767 .
O21 K2 O24 66.4(3) . .
O26 K2 O24 54.8(3) . .
O26 K2 O24 125.2(3) 2_767 .
O20 K2 O24 125.3(3) 2_767 .
O20 K2 O24 54.7(3) . .
O24 K2 O24 180.000(2) 2_767 .
O21 K2 W7 151.5(2) 2_767 .
O21 K2 W7 28.5(2) . .
O26 K2 W7 31.7(2) . .
O26 K2 W7 148.3(2) 2_767 .
O20 K2 W7 99.0(2) 2_767 .
O20 K2 W7 81.0(2) . .
O24 K2 W7 112.3(2) 2_767 .
O24 K2 W7 67.7(2) . .
O21 K2 W7 28.5(2) 2_767 2_767
O21 K2 W7 151.5(2) . 2_767
O26 K2 W7 148.3(2) . 2_767
O26 K2 W7 31.7(2) 2_767 2_767
O20 K2 W7 81.0(2) 2_767 2_767
O20 K2 W7 99.0(2) . 2_767
O24 K2 W7 67.7(2) 2_767 2_767
O24 K2 W7 112.3(2) . 2_767
W7 K2 W7 180.0 . 2_767
O21 K2 W5 30.9(2) 2_767 2_767
O21 K2 W5 149.1(2) . 2_767
O26 K2 W5 96.64(19) . 2_767
O26 K2 W5 83.36(19) 2_767 2_767
O20 K2 W5 29.4(2) 2_767 2_767
O20 K2 W5 150.6(2) . 2_767
O24 K2 W5 67.8(2) 2_767 2_767
O24 K2 W5 112.2(2) . 2_767
W7 K2 W5 120.776(14) . 2_767
W7 K2 W5 59.224(14) 2_767 2_767
O21 K2 W5 149.1(2) 2_767 .
O21 K2 W5 30.9(2) . .
O26 K2 W5 83.36(19) . .
O26 K2 W5 96.64(19) 2_767 .
O20 K2 W5 150.6(2) 2_767 .
O20 K2 W5 29.4(2) . .
O24 K2 W5 112.2(2) 2_767 .
O24 K2 W5 67.8(2) . .
W7 K2 W5 59.224(14) . .
W7 K2 W5 120.776(14) 2_767 .
W5 K2 W5 180.0 2_767 .
O39 K3 O23 134.6(4) 2_656 1_455
O39 K3 O3W 80.1(4) 2_656 .
O23 K3 O3W 134.5(5) 1_455 .
O39 K3 O15 155.4(4) 2_656 1_455
O23 K3 O15 69.8(3) 1_455 1_455
O3W K3 O15 77.9(4) . 1_455
O39 K3 O11W 71.4(8) 2_656 .
O23 K3 O11W 68.2(8) 1_455 .
O3W K3 O11W 151.0(8) . .
O15 K3 O11W 131.1(8) 1_455 .
O39 K3 O35 97.3(4) 2_656 1_455
O23 K3 O35 71.5(4) 1_455 1_455
O3W K3 O35 76.4(4) . 1_455
O15 K3 O35 88.3(4) 1_455 1_455
O11W K3 O35 101.1(8) . 1_455
O39 K3 O32 77.3(4) 2_656 .
O23 K3 O32 123.0(4) 1_455 .
O3W K3 O32 87.8(4) . .
O15 K3 O32 90.8(3) 1_455 .
O11W K3 O32 91.5(8) . .
O35 K3 O32 164.0(4) 1_455 .
O39 K3 K8 105.4(3) 2_656 1_455
O23 K3 K8 34.2(2) 1_455 1_455
O3W K3 K8 126.0(4) . 1_455
O15 K3 K8 96.5(3) 1_455 1_455
O11W K3 K8 59.2(7) . 1_455
O35 K3 K8 49.6(3) 1_455 1_455
O32 K3 K8 146.2(3) . 1_455
O39 K3 O17 141.7(4) 2_656 1_455
O23 K3 O17 50.7(3) 1_455 1_455
O3W K3 O17 124.4(4) . 1_455
O15 K3 O17 50.6(3) 1_455 1_455
O11W K3 O17 83.1(7) . 1_455
O35 K3 O17 115.7(3) 1_455 1_455
O32 K3 O17 75.2(3) . 1_455
K8 K3 O17 84.1(2) 1_455 1_455
O39 K3 K6 104.3(3) 2_656 .
O23 K3 K6 119.8(3) 1_455 .
O3W K3 K6 52.9(3) . .
O15 K3 K6 52.9(3) 1_455 .
O11W K3 K6 140.0(8) . .
O35 K3 K6 118.8(3) 1_455 .
O32 K3 K6 50.0(2) . .
K8 K3 K6 149.35(19) 1_455 .
O17 K3 K6 77.2(2) 1_455 .
O39 K3 W6 138.1(3) 2_656 1_455
O23 K3 W6 24.1(2) 1_455 1_455
O3W K3 W6 141.8(4) . 1_455
O15 K3 W6 64.5(2) 1_455 1_455
O11W K3 W6 66.9(7) . 1_455
O35 K3 W6 95.0(3) 1_455 1_455
O32 K3 W6 99.0(2) . 1_455
K8 K3 W6 56.02(9) 1_455 1_455
O17 K3 W6 28.36(18) 1_455 1_455
K6 K3 W6 104.34(15) . 1_455
O39 K3 W4 155.9(3) 2_656 1_455
O23 K3 W4 63.5(2) 1_455 1_455
O3W K3 W4 95.8(4) . 1_455
O15 K3 W4 22.0(2) 1_455 1_455
O11W K3 W4 112.5(7) . 1_455
O35 K3 W4 104.9(3) 1_455 1_455
O32 K3 W4 78.8(2) . 1_455
K8 K3 W4 96.26(13) 1_455 1_455
O17 K3 W4 29.57(19) 1_455 1_455
K6 K3 W4 56.55(12) . 1_455
W6 K3 W4 49.80(6) 1_455 1_455
O11 K4 O14 80.3(4) 2_657 1_455
O11 K4 O13 117.1(4) 2_657 .
O14 K4 O13 152.2(4) 1_455 .
O11 K4 O27 168.9(4) 2_657 .
O14 K4 O27 100.6(4) 1_455 .
O13 K4 O27 58.0(3) . .
O11 K4 O6W 81.2(4) 2_657 2_667
O14 K4 O6W 141.3(5) 1_455 2_667
O13 K4 O6W 65.9(4) . 2_667
O27 K4 O6W 103.9(4) . 2_667
O11 K4 O4W 83.5(4) 2_657 .
O14 K4 O4W 79.1(4) 1_455 .
O13 K4 O4W 122.1(5) . .
O27 K4 O4W 107.6(4) . .
O6W K4 O4W 65.2(5) 2_667 .
O11 K4 O3 79.8(3) 2_657 .
O14 K4 O3 117.1(4) 1_455 .
O13 K4 O3 51.9(3) . .
O27 K4 O3 90.0(3) . .
O6W K4 O3 92.5(4) 2_667 .
O4W K4 O3 154.0(4) . .
O11 K4 O5 116.1(4) 2_657 .
O14 K4 O5 88.9(3) 1_455 .
O13 K4 O5 64.3(3) . .
O27 K4 O5 53.0(3) . .
O6W K4 O5 129.8(4) 2_667 .
O4W K4 O5 155.2(4) . .
O3 K4 O5 50.4(3) . .
O11 K4 W7 146.4(3) 2_657 .
O14 K4 W7 132.8(3) 1_455 .
O13 K4 W7 31.2(2) . .
O27 K4 W7 32.5(2) . .
O6W K4 W7 73.9(4) 2_667 .
O4W K4 W7 105.4(4) . .
O3 K4 W7 79.2(2) . .
O5 K4 W7 67.4(2) . .
O11 K4 W3 91.6(3) 2_657 .
O14 K4 W3 144.8(3) 1_455 .
O13 K4 W3 27.8(2) . .
O27 K4 W3 81.3(2) . .
O6W K4 W3 69.1(3) 2_667 .
O4W K4 W3 134.3(4) . .
O3 K4 W3 28.1(2) . .
O5 K4 W3 63.9(2) . .
W7 K4 W3 58.77(7) . .
O11 K4 W9 142.2(3) 2_657 .
O14 K4 W9 86.3(3) 1_455 .
O13 K4 W9 66.7(2) . .
O27 K4 W9 28.1(2) . .
O6W K4 W9 127.4(4) 2_667 .
O4W K4 W9 128.5(4) . .
O3 K4 W9 75.2(2) . .
O5 K4 W9 27.84(19) . .
W7 K4 W9 53.61(6) . .
W3 K4 W9 79.38(9) . .
O11 K4 W3 17.6(2) 2_657 2_657
O14 K4 W3 88.2(3) 1_455 2_657
O13 K4 W3 114.9(2) . 2_657
O27 K4 W3 170.0(3) . 2_657
O6W K4 W3 66.1(4) 2_667 2_657
O4W K4 W3 69.4(4) . 2_657
O3 K4 W3 90.0(2) . 2_657
O5 K4 W3 132.5(2) . 2_657
W7 K4 W3 138.02(13) . 2_657
W3 K4 W3 94.14(9) . 2_657
W9 K4 W3 159.57(16) . 2_657
O1W K5 O25 143.3(4) . 2_667
O1W K5 O14W 104.8(9) . .
O25 K5 O14W 83.0(8) 2_667 .
O1W K5 O22 141.6(4) . 1_455
O25 K5 O22 74.2(3) 2_667 1_455
O14W K5 O22 83.7(9) . 1_455
O1W K5 O5W 73.1(5) . 2_667
O25 K5 O5W 129.6(5) 2_667 2_667
O14W K5 O5W 128.9(9) . 2_667
O22 K5 O5W 72.7(5) 1_455 2_667
O1W K5 O5W 70.4(5) . .
O25 K5 O5W 75.9(4) 2_667 .
O14W K5 O5W 125.2(9) . .
O22 K5 O5W 134.6(5) 1_455 .
O5W K5 O5W 102.7(5) 2_667 .
O1W K5 O8W 68.8(6) . .
O25 K5 O8W 141.9(5) 2_667 .
O14W K5 O8W 64.7(9) . .
O22 K5 O8W 82.3(6) 1_455 .
O5W K5 O8W 67.7(6) 2_667 .
O5W K5 O8W 139.1(6) . .
O1W K5 O1W 105.4(4) . 2_667
O25 K5 O1W 71.2(3) 2_667 2_667
O14W K5 O1W 149.7(9) . 2_667
O22 K5 O1W 74.3(4) 1_455 2_667
O5W K5 O1W 63.8(5) 2_667 2_667
O5W K5 O1W 64.1(5) . 2_667
O8W K5 O1W 130.4(6) . 2_667
O1W K5 O4W 68.1(4) . 2_667
O25 K5 O4W 86.3(4) 2_667 2_667
O14W K5 O4W 60.5(9) . 2_667
O22 K5 O4W 141.3(4) 1_455 2_667
O5W K5 O4W 141.0(5) 2_667 2_667
O5W K5 O4W 68.1(5) . 2_667
O8W K5 O4W 94.1(6) . 2_667
O1W K5 O4W 130.7(4) 2_667 2_667
O1W K5 K5 59.9(3) . 2_667
O25 K5 K5 107.7(3) 2_667 2_667
O14W K5 K5 164.6(9) . 2_667
O22 K5 K5 109.6(4) 1_455 2_667
O5W K5 K5 52.4(4) 2_667 2_667
O5W K5 K5 50.3(4) . 2_667
O8W K5 K5 108.3(5) . 2_667
O1W K5 K5 45.4(3) 2_667 2_667
O4W K5 K5 108.1(4) 2_667 2_667
O1W K5 K7 50.6(3) . .
O25 K5 K7 127.5(3) 2_667 .
O14W K5 K7 54.4(8) . .
O22 K5 K7 122.3(3) 1_455 .
O5W K5 K7 102.3(4) 2_667 .
O5W K5 K7 103.0(4) . .
O8W K5 K7 46.5(5) . .
O1W K5 K7 155.9(3) 2_667 .
O4W K5 K7 48.4(3) 2_667 .
K5 K5 K7 110.5(2) 2_667 .
O1W K5 K4 96.2(3) . 2_667
O25 K5 K4 50.1(3) 2_667 2_667
O14W K5 K4 76.2(8) . 2_667
O22 K5 K4 122.2(3) 1_455 2_667
O5W K5 K4 154.1(4) 2_667 2_667
O5W K5 K4 51.5(4) . 2_667
O8W K5 K4 131.2(5) . 2_667
O1W K5 K4 98.0(3) 2_667 2_667
O4W K5 K4 39.3(3) 2_667 2_667
K5 K5 K4 101.78(19) 2_667 2_667
K7 K5 K4 87.41(16) . 2_667
O45 K6 O7W 67.3(6) 2_656 .
O45 K6 O14 158.7(5) 2_656 1_455
O7W K6 O14 96.4(6) . 1_455
O45 K6 O44 44.8(4) 2_656 2_656
O7W K6 O44 105.3(6) . 2_656
O14 K6 O44 156.1(4) 1_455 2_656
O45 K6 O1 71.9(4) 2_656 .
O7W K6 O1 118.0(6) . .
O14 K6 O1 106.9(4) 1_455 .
O44 K6 O1 71.7(3) 2_656 .
O45 K6 O32 120.6(4) 2_656 .
O7W K6 O32 132.8(6) . .
O14 K6 O32 80.4(4) 1_455 .
O44 K6 O32 77.6(3) 2_656 .
O1 K6 O32 107.7(4) . .
O45 K6 O5 108.2(4) 2_656 .
O7W K6 O5 172.9(6) . .
O14 K6 O5 86.6(3) 1_455 .
O44 K6 O5 73.1(3) 2_656 .
O1 K6 O5 54.9(3) . .
O32 K6 O5 54.0(3) . .
O45 K6 O13W 99.5(7) 2_656 .
O7W K6 O13W 73.7(8) . .
O14 K6 O13W 61.5(7) 1_455 .
O44 K6 O13W 134.2(7) 2_656 .
O1 K6 O13W 69.4(7) . .
O32 K6 O13W 137.3(7) . .
O5 K6 O13W 102.4(7) . .
O45 K6 C8 22.3(4) 2_656 2_656
O7W K6 C8 88.6(6) . 2_656
O14 K6 C8 171.1(5) 1_455 2_656
O44 K6 C8 24.1(4) 2_656 2_656
O1 K6 C8 64.2(4) . 2_656
O32 K6 C8 101.6(4) . 2_656
O5 K6 C8 87.7(4) . 2_656
O13W K6 C8 113.3(7) . 2_656
O45 K6 O3W 66.0(4) 2_656 .
O7W K6 O3W 59.7(6) . .
O14 K6 O3W 118.8(4) 1_455 .
O44 K6 O3W 66.4(4) 2_656 .
O1 K6 O3W 134.3(4) . .
O32 K6 O3W 80.6(4) . .
O5 K6 O3W 124.3(4) . .
O13W K6 O3W 133.3(8) . .
C8 K6 O3W 70.1(4) 2_656 .
O45 K6 O15 121.6(4) 2_656 1_455
O7W K6 O15 59.4(5) . 1_455
O14 K6 O15 52.5(3) 1_455 1_455
O44 K6 O15 132.7(4) 2_656 1_455
O1 K6 O15 155.4(4) . 1_455
O32 K6 O15 83.8(3) . 1_455
O5 K6 O15 126.9(3) . 1_455
O13W K6 O15 87.3(7) . 1_455
C8 K6 O15 136.1(4) 2_656 1_455
O3W K6 O15 67.9(4) . 1_455
O45 K6 W4 144.3(4) 2_656 1_455
O7W K6 W4 77.1(5) . 1_455
O14 K6 W4 25.4(2) 1_455 1_455
O44 K6 W4 154.0(3) 2_656 1_455
O1 K6 W4 130.8(3) . 1_455
O32 K6 W4 82.1(2) . 1_455
O5 K6 W4 107.5(2) . 1_455
O13W K6 W4 71.7(6) . 1_455
C8 K6 W4 163.0(4) 2_656 1_455
O3W K6 W4 94.5(3) . 1_455
O15 K6 W4 27.2(2) 1_455 1_455
O12W K7 O19 113.7(8) . 2_767
O12W K7 O7 74.9(8) . 1_565
O19 K7 O7 73.2(4) 2_767 1_565
O12W K7 O8W 82.1(9) . .
O19 K7 O8W 136.3(6) 2_767 .
O7 K7 O8W 149.0(6) 1_565 .
O12W K7 O29 68.9(7) . .
O19 K7 O29 70.7(3) 2_767 .
O7 K7 O29 110.7(4) 1_565 .
O8W K7 O29 79.1(6) . .
O12W K7 O1W 141.1(8) . .
O19 K7 O1W 74.2(4) 2_767 .
O7 K7 O1W 139.8(4) 1_565 .
O8W K7 O1W 69.8(6) . .
O29 K7 O1W 79.5(4) . .
O12W K7 O4W 147.4(8) . 2_667
O19 K7 O4W 78.2(4) 2_767 2_667
O7 K7 O4W 80.5(4) 1_565 2_667
O8W K7 O4W 110.9(7) . 2_667
O29 K7 O4W 141.3(5) . 2_667
O1W K7 O4W 70.3(4) . 2_667
O12W K7 O14W 102.7(10) . .
O19 K7 O14W 139.3(8) 2_767 .
O7 K7 O14W 100.8(7) 1_565 .
O8W K7 O14W 64.1(9) . .
O29 K7 O14W 143.1(8) . .
O1W K7 O14W 89.0(8) . .
O4W K7 O14W 61.2(8) 2_667 .
O12W K7 K5 132.7(8) . .
O19 K7 K5 110.9(3) 2_767 .
O7 K7 K5 134.3(3) 1_565 .
O8W K7 K5 54.3(5) . .
O29 K7 K5 113.5(3) . .
O1W K7 K5 43.8(3) . .
O4W K7 K5 57.6(4) 2_667 .
O14W K7 K5 45.3(7) . .
O42 K8 O23 150.3(6) . .
O42 K8 O9W 94.5(9) . 1_655
O23 K8 O9W 108.3(8) . 1_655
O42 K8 O31 82.1(5) . .
O23 K8 O31 77.5(4) . .
O9W K8 O31 94.7(8) 1_655 .
O42 K8 O35 69.5(5) . .
O23 K8 O35 93.1(5) . .
O9W K8 O35 156.1(8) 1_655 .
O31 K8 O35 100.3(4) . .
O42 K8 C6 16.6(5) . .
O23 K8 C6 166.9(5) . .
O9W K8 C6 81.2(8) 1_655 .
O31 K8 C6 93.0(4) . .
O35 K8 C6 79.6(4) . .
O42 K8 O11W 131.1(8) . 1_655
O23 K8 O11W 75.1(8) . 1_655
O9W K8 O11W 73.5(10) 1_655 1_655
O31 K8 O11W 144.6(7) . 1_655
O35 K8 O11W 103.0(7) . 1_655
C6 K8 O11W 117.0(8) . 1_655
O42 K8 C1 68.0(5) . .
O23 K8 C1 87.4(5) . .
O9W K8 C1 162.2(8) 1_655 .
O31 K8 C1 80.4(4) . .
O35 K8 C1 20.0(4) . .
C6 K8 C1 82.1(4) . .
O11W K8 C1 119.8(7) 1_655 .
O42 K8 K3 123.3(4) . 1_655
O23 K8 K3 56.1(3) . 1_655
O9W K8 K3 126.9(8) 1_655 1_655
O31 K8 K3 123.7(3) . 1_655
O35 K8 K3 57.4(3) . 1_655
C6 K8 K3 125.7(3) . 1_655
O11W K8 K3 53.7(7) 1_655 1_655
C1 K8 K3 68.6(3) . 1_655
O42 K8 O34 59.0(4) . .
O23 K8 O34 92.0(4) . .
O9W K8 O34 144.2(8) 1_655 .
O31 K8 O34 60.5(3) . .
O35 K8 O34 40.7(4) . .
C6 K8 O34 75.3(4) . .
O11W K8 O34 141.6(7) 1_655 .
C1 K8 O34 22.1(3) . .
K3 K8 O34 88.9(2) 1_655 .
O42 K8 Ho2 42.7(4) . .
O23 K8 Ho2 111.1(4) . .
O9W K8 Ho2 104.7(8) 1_655 .
O31 K8 Ho2 40.8(3) . .
O35 K8 Ho2 76.1(3) . .
C6 K8 Ho2 56.8(3) . .
O11W K8 Ho2 173.7(7) 1_655 .
C1 K8 Ho2 60.7(3) . .
K3 K8 Ho2 128.42(15) 1_655 .
O34 K8 Ho2 39.55(18) . .
O42 K8 W6 156.5(4) . .
O23 K8 W6 19.8(3) . .
O9W K8 W6 89.0(8) 1_655 .
O31 K8 W6 74.5(3) . .
O35 K8 W6 112.9(3) . .
C6 K8 W6 163.5(3) . .
O11W K8 W6 72.1(7) 1_655 .
C1 K8 W6 105.9(3) . .
K3 K8 W6 70.85(11) 1_655 .
O34 K8 W6 106.5(2) . .
Ho2 K8 W6 114.00(10) . .
W1 O1 K6 106.5(5) . .
W1 O2 W2 120.1(6) . .
W3 O3 W1 120.4(5) . .
W3 O3 K4 100.6(4) . .
W1 O3 K4 109.1(4) . .
W1 O4 Ho1 152.4(6) . .
W9 O5 W1 146.9(6) . .
W9 O5 K6 98.7(4) . .
W1 O5 K6 97.3(4) . .
W9 O5 K4 101.0(4) . .
W1 O5 K4 109.4(4) . .
K6 O5 K4 83.5(3) . .
As1 O6 W2 116.4(5) . .
As1 O6 W1 117.9(5) . .
W2 O6 W1 91.2(3) . .
As1 O6 W3 134.7(5) . .
W2 O6 W3 94.3(3) . .
W1 O6 W3 92.2(4) . .
W2 O7 K7 135.6(6) . 1_545
W3 O8 W2 119.4(5) . .
W3 O8 K1 106.0(4) . .
W2 O8 K1 103.1(4) . .
W2 O10 W4 143.0(6) . .
W2 O10 K1 104.5(4) . .
W4 O10 K1 111.8(4) . .
W3 O11 K4 134.9(6) . 2_657
W5 O12 W3 155.6(6) . .
W5 O12 K1 103.4(4) . .
W3 O12 K1 97.3(4) . .
W7 O13 W3 149.0(6) . .
W7 O13 K4 98.5(4) . .
W3 O13 K4 111.0(4) . .
W4 O14 K4 147.8(6) . 1_655
W4 O14 K6 108.6(5) . 1_655
K4 O14 K6 97.5(4) 1_655 1_655
W4 O15 K3 120.0(6) . 1_655
W4 O15 K6 95.5(5) . 1_655
K3 O15 K6 81.6(3) 1_655 1_655
W5 O16 W4 119.7(5) . .
W5 O16 K1 104.0(4) . .
W4 O16 K1 102.1(4) . .
W6 O17 W4 120.6(6) . .
W6 O17 K3 92.7(4) . 1_655
W4 O17 K3 92.3(4) . 1_655
As1 O18 W4 115.7(5) . .
As1 O18 W6 119.4(5) . .
W4 O18 W6 92.0(3) . .
As1 O18 W5 133.8(5) . .
W4 O18 W5 94.6(3) . .
W6 O18 W5 91.8(3) . .
W5 O19 K7 138.0(6) . 2_767
W5 O20 W6 120.9(5) . .
W5 O20 K2 102.8(4) . .
W6 O20 K2 106.7(4) . .
W7 O21 W5 149.7(6) . .
W7 O21 K2 105.8(4) . .
W5 O21 K2 103.4(4) . .
W6 O22 K5 144.9(6) . 1_655
W6 O23 K8 139.7(6) . .
W6 O23 K3 117.2(5) . 1_655
K8 O23 K3 89.7(4) . 1_655
W8 O24 W6 149.4(6) . .
W8 O24 K2 102.3(4) . .
W6 O24 K2 105.5(4) . .
W7 O25 K5 146.3(6) . 2_667
W8 O26 W7 119.5(5) . .
W8 O26 K2 105.2(4) . .
W7 O26 K2 99.1(4) . .
W7 O27 W9 121.5(5) . .
W7 O27 K4 95.7(4) . .
W9 O27 K4 110.1(4) . .
As1 O28 W7 134.6(5) . .
As1 O28 W9 115.1(4) . .
W7 O28 W9 94.6(3) . .
As1 O28 W8 119.2(5) . .
W7 O28 W8 91.2(3) . .
W9 O28 W8 92.3(3) . .
W8 O29 K7 133.7(6) . .
W8 O30 W9 121.3(5) . .
W8 O31 K8 131.4(6) . .
W8 O31 Ho2 120.4(5) . .
K8 O31 Ho2 99.3(4) . .
W9 O32 K3 171.8(6) . .
W9 O32 K6 104.4(5) . .
K3 O32 K6 81.1(3) . .
W9 O33 Ho1 142.2(6) . .
W9 O33 Ho2 121.0(5) . .
Ho1 O33 Ho2 95.6(4) . .
C1 O34 Ho2 142.3(11) . .
C1 O34 Ho1 118.1(10) . .
Ho2 O34 Ho1 98.8(4) . .
C1 O34 K8 76.0(9) . .
Ho2 O34 K8 71.6(3) . .
Ho1 O34 K8 157.5(4) . .
C1 O35 K8 112.3(11) . .
C1 O35 K3 123.0(11) . 1_655
K8 O35 K3 73.0(4) . 1_655
C2 O36 Ho1 108.4(8) . .
C3 O37 Ho1 119.0(9) . 2_656
C3 O37 Ho1 118.2(8) . .
Ho1 O37 Ho1 102.3(4) 2_656 .
C3 O37 Ho2 113.8(8) . 2_656
Ho1 O37 Ho2 98.1(3) 2_656 2_656
Ho1 O37 Ho2 102.5(4) . 2_656
C4 O38 Ho2 123.7(11) . 2_656
C4 O39 K3 121.5(11) . 2_656
C5 O40 Ho2 117.0(11) . .
C6 O42 K8 141.7(10) . .
C6 O42 Ho2 103.5(9) . .
K8 O42 Ho2 107.8(5) . .
C7 O43 Ho1 116.3(9) . 2_656
C7 O43 Ho2 120.0(10) . .
Ho1 O43 Ho2 110.4(5) 2_656 .
C8 O44 Ho1 118.8(10) . 2_656
C8 O44 K6 88.2(10) . 2_656
Ho1 O44 K6 135.3(5) 2_656 2_656
C8 O45 K6 96.0(11) . 2_656
O35 C1 O34 123.4(16) . .
O35 C1 C2 122.7(16) . .
O34 C1 C2 113.3(15) . .
O35 C1 K8 47.7(9) . .
O34 C1 K8 81.9(9) . .
C2 C1 K8 158.4(11) . .
O36 C2 C1 111.5(13) . .
O36 C2 C3 105.7(13) . .
C1 C2 C3 106.8(13) . .
O36 C2 H2 110.9 . .
C1 C2 H2 110.9 . .
C3 C2 H2 110.9 . .
O37 C3 C2 108.4(12) . .
O37 C3 C4 113.0(13) . .
C2 C3 C4 110.0(13) . .
O37 C3 H3 108.4 . .
C2 C3 H3 108.4 . .
C4 C3 H3 108.4 . .
O39 C4 O38 125.1(16) . .
O39 C4 C3 116.7(15) . .
O38 C4 C3 118.2(15) . .
O40 C5 O41 125.0(19) . .
O40 C5 C6 116.1(16) . .
O41 C5 C6 118.8(18) . .
O42 C6 C7 108.5(13) . .
O42 C6 C5 105.8(13) . .
C7 C6 C5 108.7(14) . .
O42 C6 K8 21.6(6) . .
C7 C6 K8 127.7(11) . .
C5 C6 K8 104.3(10) . .
O42 C6 H6 111.2 . .
C7 C6 H6 111.2 . .
C5 C6 H6 111.2 . .
K8 C6 H6 92.6 . .
O43 C7 C8 113.2(14) . .
O43 C7 C6 108.4(14) . .
C8 C7 C6 110.4(14) . .
O43 C7 H7 108.2 . .
C8 C7 H7 108.2 . .
C6 C7 H7 108.2 . .
O45 C8 O44 122.4(16) . .
O45 C8 C7 122.5(16) . .
O44 C8 C7 115.1(15) . .
O45 C8 K6 61.7(9) . 2_656
O44 C8 K6 67.7(9) . 2_656
C7 C8 K6 154.0(11) . 2_656
K5 O1W K7 85.6(4) . .
K5 O1W K5 74.6(4) . 2_667
K7 O1W K5 160.1(5) . 2_667
K3 O3W K6 82.3(4) . .
K4 O4W K7 166.1(7) . 2_667
K4 O4W K5 94.7(5) . 2_667
K7 O4W K5 74.1(4) 2_667 2_667
K5 O5W K5 77.3(5) 2_667 .
K7 O8W K5 79.1(6) . .
K3 O11W K8 67.1(8) . 1_455
K5 O14W K7 80.4(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O1 1.732(12) .
W1 O4 1.771(10) .
W1 O2 1.878(11) .
W1 O5 1.965(10) .
W1 O3 2.011(10) .
W1 O6 2.341(10) .
W1 K6 3.880(6) .
W2 O7 1.728(11) .
W2 O9 1.757(11) .
W2 O10 1.916(10) .
W2 O2 1.959(11) .
W2 O8 2.107(9) .
W2 O6 2.311(9) .
W2 K1 3.8286(7) .
W3 O11 1.738(11) .
W3 O8 1.849(9) .
W3 O3 1.884(10) .
W3 O12 1.920(10) .
W3 O13 1.966(10) .
W3 O6 2.350(10) .
W3 K1 3.7167(7) .
W3 K4 3.934(5) .
W3 K4 4.065(4) 2_657
W4 O14 1.706(12) .
W4 O15 1.730(11) .
W4 O10 1.936(10) .
W4 O17 1.978(11) .
W4 O16 2.135(10) .
W4 O18 2.303(9) .
W4 K6 3.771(6) 1_655
W4 K3 4.005(5) 1_655
W4 K1 4.0131(7) .
W5 O19 1.705(11) .
W5 O16 1.840(10) .
W5 O20 1.901(11) .
W5 O12 1.905(10) .
W5 O21 1.995(10) .
W5 O18 2.377(9) .
W5 K2 3.7770(7) .
W5 K1 3.8635(7) .
W6 O22 1.723(12) .
W6 O23 1.821(11) .
W6 O17 1.887(10) .
W6 O24 1.953(11) .
W6 O20 2.010(10) .
W6 O18 2.364(10) .
W6 K8 3.484(4) .
W6 K2 3.9478(7) .
W6 K3 3.969(5) 1_655
W7 O25 1.728(11) .
W7 O21 1.850(10) .
W7 O13 1.867(10) .
W7 O27 1.925(10) .
W7 O26 1.986(10) .
W7 O28 2.309(9) .
W7 K4 3.566(4) .
W7 K2 3.7339(7) .
W8 O29 1.727(11) .
W8 O24 1.889(11) .
W8 O26 1.897(10) .
W8 O30 1.925(11) .
W8 O31 1.925(11) .
W8 O28 2.384(9) .
W8 K8 3.815(4) .
W8 K2 3.8256(7) .
W9 O32 1.723(11) .
W9 O33 1.810(10) .
W9 O5 1.890(10) .
W9 O30 1.986(11) .
W9 O27 1.994(10) .
W9 O28 2.342(9) .
W9 K6 3.872(7) .
W9 K4 3.972(5) .
Ho1 O4 2.219(10) .
Ho1 O43 2.282(11) 2_656
Ho1 O44 2.328(12) 2_656
Ho1 O37 2.348(10) 2_656
Ho1 O36 2.365(11) .
Ho1 O37 2.407(10) .
Ho1 O33 2.412(10) .
Ho1 O34 2.453(11) .
Ho1 Ho2 3.6339(11) .
Ho1 Ho1 3.7044(14) 2_656
Ho1 Ho2 3.7984(10) 2_656
Ho2 O38 2.271(12) 2_656
Ho2 O31 2.303(11) .
Ho2 O34 2.333(11) .
Ho2 O43 2.345(11) .
Ho2 O40 2.349(12) .
Ho2 O37 2.464(10) 2_656
Ho2 O42 2.476(12) .
Ho2 O33 2.494(11) .
Ho2 K8 3.477(4) .
Ho2 Ho1 3.7984(10) 2_656
As1 O28 1.786(9) .
As1 O18 1.793(10) .
As1 O6 1.809(10) .
K1 O8 2.755(9) .
K1 O8 2.755(9) 2_757
K1 O10 2.869(10) .
K1 O10 2.869(10) 2_757
K1 O12 2.948(10) .
K1 O12 2.948(10) 2_757
K1 O16 2.980(11) .
K1 O16 2.980(11) 2_757
K1 W3 3.7167(7) 2_757
K1 W2 3.8286(7) 2_757
K2 O21 2.777(10) 2_767
K2 O21 2.777(10) .
K2 O26 2.862(10) .
K2 O26 2.862(10) 2_767
K2 O20 2.869(10) 2_767
K2 O20 2.869(10) .
K2 O24 2.949(11) 2_767
K2 O24 2.949(11) .
K2 W7 3.7339(7) 2_767
K2 W5 3.7770(7) 2_767
K3 O39 2.789(14) 2_656
K3 O23 2.790(12) 1_455
K3 O3W 2.811(17) .
K3 O15 2.849(13) 1_455
K3 O11W 2.94(4) .
K3 O35 2.962(15) 1_455
K3 O32 3.014(12) .
K3 K8 3.361(6) 1_455
K3 O17 3.405(11) 1_455
K3 K6 3.955(9) .
K3 W6 3.969(5) 1_455
K3 W4 4.005(5) 1_455
K4 O11 2.648(12) 2_657
K4 O14 2.679(13) 1_455
K4 O13 2.774(11) .
K4 O27 2.817(11) .
K4 O6W 2.918(18) 2_667
K4 O4W 2.998(18) .
K4 O3 3.124(11) .
K4 O5 3.151(11) .
K4 W3 4.065(4) 2_657
K5 O1W 2.692(14) .
K5 O25 2.712(12) 2_667
K5 O14W 2.79(4) .
K5 O22 2.824(13) 1_455
K5 O5W 2.87(2) 2_667
K5 O5W 2.957(19) .
K5 O8W 3.21(3) .
K5 O1W 3.269(15) 2_667
K5 O4W 3.40(2) 2_667
K5 K5 3.642(12) 2_667
K5 K7 3.877(9) .
K5 K4 4.714(8) 2_667
K6 O45 2.813(14) 2_656
K6 O7W 2.83(3) .
K6 O14 2.864(13) 1_455
K6 O44 2.943(13) 2_656
K6 O1 3.014(13) .
K6 O32 3.066(13) .
K6 O5 3.107(12) .
K6 O13W 3.14(4) .
K6 C8 3.178(17) 2_656
K6 O3W 3.184(17) .
K6 O15 3.189(13) 1_455
K6 W4 3.771(6) 1_455
K7 O12W 2.74(3) .
K7 O19 2.820(12) 2_767
K7 O7 2.851(13) 1_565
K7 O8W 2.87(3) .
K7 O29 2.913(13) .
K7 O1W 3.004(14) .
K7 O4W 3.012(18) 2_667
K7 O14W 3.20(4) .
K8 O42 1.799(11) .
K8 O23 1.890(11) .
K8 O9W 2.16(3) 1_655
K8 O31 2.258(12) .
K8 O35 2.679(14) .
K8 C6 3.024(16) .
K8 O11W 3.13(4) 1_655
K8 C1 3.350(18) .
K8 K3 3.361(6) 1_655
K8 O34 3.417(12) .
O7 K7 2.851(13) 1_545
O11 K4 2.648(12) 2_657
O14 K4 2.679(13) 1_655
O14 K6 2.864(13) 1_655
O15 K3 2.849(13) 1_655
O15 K6 3.189(13) 1_655
O17 K3 3.405(11) 1_655
O19 K7 2.820(12) 2_767
O22 K5 2.824(12) 1_655
O23 K3 2.790(12) 1_655
O25 K5 2.712(12) 2_667
O34 C1 1.296(19) .
O35 C1 1.24(2) .
O35 K3 2.962(15) 1_655
O36 C2 1.452(18) .
O37 C3 1.423(18) .
O37 Ho1 2.348(9) 2_656
O37 Ho2 2.464(10) 2_656
O38 C4 1.27(2) .
O38 Ho2 2.271(12) 2_656
O39 C4 1.24(2) .
O39 K3 2.789(13) 2_656
O40 C5 1.24(2) .
O41 C5 1.25(2) .
O42 C6 1.398(18) .
O43 C7 1.38(2) .
O43 Ho1 2.282(11) 2_656
O44 C8 1.30(2) .
O44 Ho1 2.328(12) 2_656
O44 K6 2.943(13) 2_656
O45 C8 1.21(2) .
O45 K6 2.813(14) 2_656
C1 C2 1.47(2) .
C2 C3 1.55(2) .
C2 H2 0.9800 .
C3 C4 1.56(2) .
C3 H3 0.9800 .
C5 C6 1.56(2) .
C6 C7 1.54(2) .
C6 H6 0.9800 .
C7 C8 1.52(2) .
C7 H7 0.9800 .
C8 K6 3.178(17) 2_656
O1W K5 3.269(15) 2_667
O4W K7 3.012(18) 2_667
O4W K5 3.402(19) 2_667
O5W K5 2.87(2) 2_667
O6W K4 2.918(18) 2_667
O9W K8 2.16(3) 1_455
O11W K8 3.13(4) 1_455
