#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:58:17 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180458 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/27/7212776.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_7212776
loop_
_publ_author_name
'Assran, Awatef S.'
'Izarova, Natalya V.'
'Kortz, Ulrich'
_publ_section_title
;
 Mixed-valent vanadium substituted polyoxometalates: the wheel shaped
 [Rb3⊂{VVVIV3O7(H2O)6}2{H6P6W39O147(H2O)3}]15−
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              2684
_journal_paper_doi               10.1039/c0ce00068j
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'H150 K12 O239 P6 Rb6 V8 W39'
_chemical_formula_weight         12720.71
_chemical_name_systematic
;

 ?

;
_space_group_IT_number           190
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P -6c -2c'
_symmetry_space_group_name_H-M   'P -6 2 c'
_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            2
_cell_length_a                   22.9885(13)
_cell_length_b                   22.9885(13)
_cell_length_c                   21.3679(14)
_cell_measurement_reflns_used    5082
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      22.82
_cell_measurement_theta_min      2.60
_cell_volume                     9779.4(10)
_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      173(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.1479
_diffrn_reflns_av_sigmaI/netI    0.0491
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            94635
_diffrn_reflns_theta_full        22.98
_diffrn_reflns_theta_max         22.98
_diffrn_reflns_theta_min         3.21
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    25.125
_exptl_absorpt_correction_T_max  0.3549
_exptl_absorpt_correction_T_min  0.0545
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    4.320
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             11344
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.222
_refine_diff_density_min         -1.473
_refine_diff_density_rms         0.289
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_matrix_type           full
_refine_ls_number_parameters     444
_refine_ls_number_reflns         4676
_refine_ls_number_restraints     75
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0574
_refine_ls_R_factor_gt           0.0450
_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)+(0.0395P)²+356.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1050
_refine_ls_wR_factor_ref         0.1128
_reflns_number_gt                4062
_reflns_number_total             4676
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0ce00068j.txt
_cod_data_source_block           Rb3V8P6W39
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-62c
_cod_database_code               7212776
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x, y, -z+1/2'
'-y, x-y, -z+1/2'
'-x+y, -x, -z+1/2'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'y, x, z+1/2'
'x-y, -y, z+1/2'
'-x, -x+y, z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
W1 W 1.45648(6) 0.39461(6) 0.67170(6) 0.0427(3) Uani 1 1 d . .
W2 W 1.27872(6) 0.26104(6) 0.67146(6) 0.0438(3) Uani 1 1 d . .
W3 W 1.10121(6) 0.22363(6) 0.67146(6) 0.0448(3) Uani 1 1 d . .
W4 W 0.98479(6) 0.28990(6) 0.67139(6) 0.0379(3) Uani 1 1 d . .
W5 W 1.33023(6) 0.42615(6) 0.59308(6) 0.0412(3) Uani 1 1 d . .
W6 W 1.15110(6) 0.38861(6) 0.59327(6) 0.0385(3) Uani 1 1 d . .
W7 W 0.94601(8) 0.40937(8) 0.7500 0.0410(4) Uani 1 2 d S .
P1 P 1.3345(5) 0.4095(5) 0.7500 0.033(2) Uani 1 2 d S .
P2 P 1.1380(5) 0.3687(5) 0.7500 0.031(2) Uani 1 2 d S .
V1 V 1.3333 0.6667 0.6043(4) 0.036(2) Uani 1 3 d S .
V2 V 1.4450(2) 0.6090(2) 0.6031(3) 0.0422(13) Uani 1 1 d . .
Rb1 Rb 1.2844(2) 0.53357(19) 0.7500 0.0432(10) Uani 1 2 d S .
O1T O 1.5028(11) 0.3753(11) 0.6215(10) 0.055(6) Uani 1 1 d . .
O1V O 1.3333 0.6667 0.6780(13) 0.028(7) Uani 1 3 d S .
O2T O 1.2728(11) 0.2005(11) 0.6204(10) 0.055(5) Uani 1 1 d U .
O2V O 1.5121(8) 0.5701(8) 0.6036(9) 0.039(5) Uani 1 1 d . .
O3T O 1.0669(10) 0.1574(10) 0.6186(11) 0.057(6) Uani 1 1 d . .
O3V O 1.4513(10) 0.5956(10) 0.4947(10) 0.057(6) Uani 1 1 d . .
O4T O 0.9210(9) 0.2441(10) 0.6196(10) 0.047(5) Uani 1 1 d . .
O4V O 1.1749(10) 0.5615(9) 0.6759(9) 0.042(5) Uani 1 1 d . .
O5 O 1.3772(9) 0.5183(9) 0.5902(10) 0.046(5) Uani 1 1 d . .
O5T O 1.3335(9) 0.4113(9) 0.5141(8) 0.041(5) Uani 1 1 d . .
O6 O 1.1336(9) 0.3646(10) 0.5152(9) 0.045(5) Uani 1 1 d . .
O6T O 1.1637(8) 0.4735(9) 0.5875(8) 0.036(4) Uani 1 1 d . .
O7T O 0.8617(13) 0.3680(15) 0.7500 0.047(8) Uani 1 2 d S .
O7H O 1.0607(13) 0.4657(13) 0.7500 0.043(7) Uani 1 2 d SU .
O11 O 1.4807(14) 0.3699(13) 0.7500 0.047(8) Uani 1 2 d S .
O1P1 O 1.4070(11) 0.4209(11) 0.7500 0.022(5) Uani 1 2 d SU .
O12 O 1.3775(9) 0.3090(9) 0.6752(8) 0.037(4) Uani 1 1 d . .
O12V O 1.2527(10) 0.6066(8) 0.5775(8) 0.038(5) Uani 1 1 d . .
O15 O 1.4126(8) 0.4256(8) 0.6193(8) 0.034(4) Uani 1 1 d . .
O17 O 0.9636(10) 0.4743(10) 0.6858(10) 0.048(5) Uani 1 1 d . .
O2P1 O 1.2895(12) 0.3316(12) 0.7500 0.032(6) Uani 1 2 d SU .
O22 O 1.2774(15) 0.2150(14) 0.7500 0.058(9) Uani 1 2 d S .
O23 O 1.1845(10) 0.2261(9) 0.6798(8) 0.042(5) Uani 1 1 d U .
O25 O 1.2870(9) 0.3287(8) 0.6191(9) 0.039(5) Uani 1 1 d . .
O3P2 O 1.1374(13) 0.2978(12) 0.7500 0.036(6) Uani 1 2 d SU .
O33 O 1.0730(16) 0.1725(15) 0.7500 0.054(8) Uani 1 2 d SU .
O34 O 1.0235(8) 0.2326(8) 0.6751(8) 0.029(4) Uani 1 1 d U .
O36 O 1.1360(9) 0.2977(8) 0.6189(9) 0.040(5) Uani 1 1 d . .
O4P2 O 1.0613(13) 0.3474(13) 0.7500 0.037(6) Uani 1 2 d SU .
O44 O 0.9367(13) 0.2517(13) 0.7500 0.036(6) Uani 1 2 d SU .
O46 O 1.0561(9) 0.3500(9) 0.6199(10) 0.045(5) Uani 1 1 d . .
O47 O 0.9613(9) 0.3590(9) 0.6885(8) 0.037(5) Uani 1 1 d U .
O5P1 O 1.3222(8) 0.4386(8) 0.6895(8) 0.032(4) Uani 1 1 d . .
O56 O 1.2443(8) 0.4185(9) 0.5898(7) 0.032(4) Uani 1 1 d . .
O6P2 O 1.1680(7) 0.4078(8) 0.6907(7) 0.022(4) Uani 1 1 d . .
Rb2 Rb 1.4108(7) 0.2307(5) 0.5828(8) 0.047(3) Uani 0.50 1 d PU .
K1A K 1.423(4) 0.227(3) 0.600(4) 0.038(5) Uiso 0.12(4) 1 d P 1
K1B K 1.3985(12) 0.2342(11) 0.5671(12) 0.038(5) Uiso 0.38(4) 1 d P 2
K2A K 1.1915(10) 0.0696(10) 0.5941(9) 0.072(4) Uiso 0.466(15) 1 d P 1
K2B K 1.233(7) 0.136(7) 0.7500 0.072(4) Uiso 0.10(2) 2 d SP 2
K2C K 1.150(2) 0.074(2) 0.6123(18) 0.072(4) Uiso 0.227(15) 1 d P 3
K2D K 1.1876(15) 0.0792(16) 0.7326(14) 0.072(4) Uiso 0.259(14) 1 d P 3
K3A K 1.4855(9) 0.4855(9) 0.5000 0.068(5) Uiso 0.73(5) 2 d SP 1
K3B K 1.493(4) 0.472(4) 0.521(4) 0.068(5) Uiso 0.13(2) 1 d P 2
O1W O 1.2300(12) 0.0913(12) 0.5225(11) 0.073(7) Uiso 1 1 d . .
O2W O 1.5393(12) 0.2957(12) 0.5166(12) 0.076(7) Uiso 1 1 d . .
O3W O 0.7989(19) 0.199(2) 0.7299(16) 0.057(12) Uiso 0.50 1 d P .
O4W O 1.227(3) 0.0000 0.5000 0.06(2) Uiso 0.40 2 d SP .
O5W O 1.026(3) 0.396(3) 0.488(3) 0.064(16) Uiso 0.40 1 d P .
O6W O 1.486(3) 0.160(3) 0.604(2) 0.076(15) Uiso 0.50 1 d P .
O7W O 1.066(5) 0.041(5) 0.7500 0.05(3) Uiso 0.30 2 d SP .
O8W O 1.625(4) 0.384(4) 0.661(3) 0.054(19) Uiso 0.30 1 d P .
O9W O 1.259(2) 0.259(2) 0.5000 0.063(15) Uiso 0.60 2 d SP .
O10W O 1.146(5) 0.146(5) 0.5000 0.06(3) Uiso 0.30 2 d SP .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 '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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rb Rb -0.9393 2.9676 '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
O1T W1 O15 104.2(9) . .
O1T W1 O12 98.7(9) . .
O15 W1 O12 90.0(8) . .
O1T W1 O11 99.1(10) . .
O15 W1 O11 156.6(9) . .
O12 W1 O11 85.9(9) . .
O1T W1 O17 96.8(9) . 2_755
O15 W1 O17 87.8(8) . 2_755
O12 W1 O17 164.4(8) . 2_755
O11 W1 O17 90.0(10) . 2_755
O1T W1 O1P1 170.8(9) . .
O15 W1 O1P1 84.4(7) . .
O12 W1 O1P1 84.3(8) . .
O11 W1 O1P1 72.3(8) . .
O17 W1 O1P1 80.2(8) 2_755 .
O1T W1 K3B 63.0(14) . .
O15 W1 K3B 46.0(14) . .
O12 W1 K3B 114.6(14) . .
O11 W1 K3B 153.7(16) . .
O17 W1 K3B 74.2(13) 2_755 .
O1P1 W1 K3B 123.7(12) . .
O1T W1 K1B 50.7(8) . .
O15 W1 K1B 91.3(7) . .
O12 W1 K1B 49.4(6) . .
O11 W1 K1B 103.2(8) . .
O17 W1 K1B 146.0(6) 2_755 .
O1P1 W1 K1B 133.6(6) . .
K3B W1 K1B 80.8(11) . .
O1T W1 Rb2 48.9(7) . .
O15 W1 Rb2 98.2(6) . .
O12 W1 Rb2 49.9(5) . .
O11 W1 Rb2 96.7(8) . .
O17 W1 Rb2 145.7(6) 2_755 .
O1P1 W1 Rb2 133.9(6) . .
K3B W1 Rb2 85.7(11) . .
K1B W1 Rb2 6.9(3) . .
O1T W1 K1A 48.2(12) . .
O15 W1 K1A 105.5(15) . .
O12 W1 K1A 50.9(12) . .
O11 W1 K1A 89.6(16) . .
O17 W1 K1A 144.3(12) 2_755 .
O1P1 W1 K1A 133.1(12) . .
K3B W1 K1A 91.3(16) . .
K1B W1 K1A 14.3(14) . .
Rb2 W1 K1A 7.4(13) . .
O1T W1 K3A 67.0(8) . .
O15 W1 K3A 41.7(5) . .
O12 W1 K3A 113.0(6) . .
O11 W1 K3A 157.5(8) . .
O17 W1 K3A 74.9(7) 2_755 .
O1P1 W1 K3A 119.9(4) . .
K3B W1 K3A 4.4(13) . .
K1B W1 K3A 82.1(4) . .
Rb2 W1 K3A 87.3(3) . .
K1A W1 K3A 93.2(13) . .
O2T W2 O25 103.3(9) . .
O2T W2 O23 96.1(9) . .
O25 W2 O23 91.6(8) . .
O2T W2 O12 94.6(9) . .
O25 W2 O12 87.1(8) . .
O23 W2 O12 169.2(8) . .
O2T W2 O22 97.5(10) . .
O25 W2 O22 158.9(9) . .
O23 W2 O22 89.1(10) . .
O12 W2 O22 88.3(10) . .
O2T W2 O2P1 171.1(8) . .
O25 W2 O2P1 85.3(7) . .
O23 W2 O2P1 85.8(8) . .
O12 W2 O2P1 83.5(8) . .
O22 W2 O2P1 73.8(8) . .
O2T W2 K2B 74.5(16) . .
O25 W2 K2B 167(3) . .
O23 W2 K2B 76(3) . .
O12 W2 K2B 105(3) . .
O22 W2 K2B 27.8(18) . .
O2P1 W2 K2B 97.6(15) . .
O2T W2 K1B 43.2(8) . .
O25 W2 K1B 90.2(7) . .
O23 W2 K1B 138.2(7) . .
O12 W2 K1B 52.6(6) . .
O22 W2 K1B 103.2(9) . .
O2P1 W2 K1B 136.0(7) . .
K2B W2 K1B 96(2) . .
O2T W2 K2D 63.6(9) . .
O25 W2 K2D 153.0(7) . .
O23 W2 K2D 67.9(7) . .
O12 W2 K2D 116.3(7) . .
O22 W2 K2D 43.6(9) . .
O2P1 W2 K2D 109.4(6) . .
K2B W2 K2D 15.9(18) . .
K1B W2 K2D 93.9(5) . .
O2T W2 Rb2 46.0(8) . .
O25 W2 Rb2 95.4(6) . .
O23 W2 Rb2 142.0(6) . .
O12 W2 Rb2 48.8(6) . .
O22 W2 Rb2 96.9(8) . .
O2P1 W2 Rb2 132.0(7) . .
K2B W2 Rb2 92(2) . .
K1B W2 Rb2 6.8(3) . .
K2D W2 Rb2 91.1(5) . .
O2T W2 K2C 38.2(10) . .
O25 W2 K2C 115.0(8) . .
O23 W2 K2C 60.4(8) . .
O12 W2 K2C 129.6(8) . .
O22 W2 K2C 83.5(9) . .
O2P1 W2 K2C 139.5(8) . .
K2B W2 K2C 55.7(18) . .
K1B W2 K2C 81.2(7) . .
K2D W2 K2C 40.0(7) . .
Rb2 W2 K2C 83.0(6) . .
O2T W2 K1A 49.5(13) . .
O25 W2 K1A 100.6(13) . .
O23 W2 K1A 145.1(12) . .
O12 W2 K1A 45.4(12) . .
O22 W2 K1A 90.6(15) . .
O2P1 W2 K1A 127.4(13) . .
K2B W2 K1A 87(3) . .
K1B W2 K1A 13.7(12) . .
K2D W2 K1A 88.5(11) . .
Rb2 W2 K1A 6.9(11) . .
K2C W2 K1A 84.9(12) . .
O3T W3 O36 102.1(10) . .
O3T W3 O23 95.6(8) . .
O36 W3 O23 93.7(8) . .
O3T W3 O34 94.7(8) . .
O36 W3 O34 85.5(8) . .
O23 W3 O34 169.6(7) . .
O3T W3 O33 99.3(11) . .
O36 W3 O33 158.3(9) . .
O23 W3 O33 87.9(11) . .
O34 W3 O33 89.0(10) . .
O3T W3 O3P2 171.8(9) . .
O36 W3 O3P2 85.9(7) . .
O23 W3 O3P2 85.5(9) . .
O34 W3 O3P2 84.2(8) . .
O33 W3 O3P2 72.6(9) . .
O3T W3 K2A 45.6(7) . 2_645
O36 W3 K2A 98.1(6) . 2_645
O23 W3 K2A 141.0(6) . 2_645
O34 W3 K2A 49.1(6) . 2_645
O33 W3 K2A 94.2(9) . 2_645
O3P2 W3 K2A 132.2(7) . 2_645
O3T W3 K2D 75.9(8) . 2_645
O36 W3 K2D 131.0(7) . 2_645
O23 W3 K2D 135.3(7) . 2_645
O34 W3 K2D 46.8(7) . 2_645
O33 W3 K2D 51.7(10) . 2_645
O3P2 W3 K2D 97.6(7) . 2_645
K2A W3 K2D 45.6(5) 2_645 2_645
O3T W3 K2C 38.7(9) . 2_645
O36 W3 K2C 112.3(8) . 2_645
O23 W3 K2C 129.6(8) . 2_645
O34 W3 K2C 59.7(8) . 2_645
O33 W3 K2C 82.6(10) . 2_645
O3P2 W3 K2C 136.4(8) . 2_645
K2A W3 K2C 15.7(6) 2_645 2_645
K2D W3 K2C 40.3(7) 2_645 2_645
O4T W4 O46 103.7(9) . .
O4T W4 O34 98.7(8) . .
O46 W4 O34 89.7(8) . .
O4T W4 O47 97.0(9) . .
O46 W4 O47 90.4(8) . .
O34 W4 O47 163.8(7) . .
O4T W4 O44 99.3(10) . .
O46 W4 O44 156.8(9) . .
O34 W4 O44 90.5(9) . .
O47 W4 O44 83.1(9) . .
O4T W4 O4P2 173.4(8) . .
O46 W4 O4P2 82.5(8) . .
O34 W4 O4P2 83.2(8) . .
O47 W4 O4P2 80.7(8) . .
O44 W4 O4P2 74.4(8) . .
O4T W4 K2A 49.3(7) . 2_645
O46 W4 K2A 102.5(6) . 2_645
O34 W4 K2A 49.5(6) . 2_645
O47 W4 K2A 145.7(6) . 2_645
O44 W4 K2A 95.3(7) . 2_645
O4P2 W4 K2A 131.9(7) . 2_645
O4T W4 K2D 79.0(8) . 2_645
O46 W4 K2D 135.0(7) . 2_645
O34 W4 K2D 46.3(7) . 2_645
O47 W4 K2D 134.4(7) . 2_645
O44 W4 K2D 53.5(8) . 2_645
O4P2 W4 K2D 98.1(7) . 2_645
K2A W4 K2D 45.5(5) 2_645 2_645
O5T W5 O5 97.8(9) . .
O5T W5 O56 95.3(8) . .
O5 W5 O56 95.2(8) . .
O5T W5 O15 98.0(8) . .
O5 W5 O15 90.2(7) . .
O56 W5 O15 164.9(7) . .
O5T W5 O25 95.5(8) . .
O5 W5 O25 165.4(8) . .
O56 W5 O25 89.7(7) . .
O15 W5 O25 81.8(7) . .
O5T W5 O5P1 176.8(7) . .
O5 W5 O5P1 85.2(8) . .
O56 W5 O5P1 83.7(7) . .
O15 W5 O5P1 82.7(7) . .
O25 W5 O5P1 81.6(7) . .
O5T W5 K3B 60.7(15) . .
O5 W5 K3B 74.2(13) . .
O56 W5 K3B 151.0(16) . .
O15 W5 K3B 44.0(16) . .
O25 W5 K3B 107.4(14) . .
O5P1 W5 K3B 121.1(14) . .
O5T W5 K3A 54.5(6) . .
O5 W5 K3A 69.8(7) . .
O56 W5 K3A 141.5(5) . .
O15 W5 K3A 53.5(5) . .
O25 W5 K3A 113.9(5) . .
O5P1 W5 K3A 127.7(5) . .
K3B W5 K3A 9.6(15) . .
O5T W5 K3B 47.7(14) . 7_646
O5 W5 K3B 67.5(13) . 7_646
O56 W5 K3B 132.0(16) . 7_646
O15 W5 K3B 63.0(16) . 7_646
O25 W5 K3B 118.5(13) . 7_646
O5P1 W5 K3B 134.8(14) . 7_646
K3B W5 K3B 19(3) . 7_646
K3A W5 K3B 9.5(15) . 7_646
O5T W5 K1B 36.8(7) . 7_646
O5 W5 K1B 96.6(7) . 7_646
O56 W5 K1B 58.7(6) . 7_646
O15 W5 K1B 134.7(6) . 7_646
O25 W5 K1B 97.7(7) . 7_646
O5P1 W5 K1B 142.4(6) . 7_646
K3B W5 K1B 95.2(15) . 7_646
K3A W5 K1B 87.2(3) . 7_646
K3B W5 K1B 78.5(14) 7_646 7_646
O5T W5 Rb2 37.8(6) . 7_646
O5 W5 Rb2 92.7(7) . 7_646
O56 W5 Rb2 58.3(5) . 7_646
O15 W5 Rb2 135.6(5) . 7_646
O25 W5 Rb2 101.6(6) . 7_646
O5P1 W5 Rb2 141.7(5) . 7_646
K3B W5 Rb2 94.7(15) . 7_646
K3A W5 Rb2 86.35(17) . 7_646
K3B W5 Rb2 77.4(14) 7_646 7_646
K1B W5 Rb2 4.0(4) 7_646 7_646
O6 W6 O6T 99.3(8) . .
O6 W6 O56 96.8(8) . .
O6T W6 O56 93.6(8) . .
O6 W6 O46 96.0(9) . .
O6T W6 O46 92.8(7) . .
O56 W6 O46 164.6(8) . .
O6 W6 O36 92.3(8) . .
O6T W6 O36 168.0(8) . .
O56 W6 O36 87.9(7) . .
O46 W6 O36 82.9(7) . .
O6 W6 O6P2 174.4(8) . .
O6T W6 O6P2 85.9(7) . .
O56 W6 O6P2 84.7(6) . .
O46 W6 O6P2 81.8(7) . .
O36 W6 O6P2 82.4(7) . .
O6 W6 K1B 36.9(7) . 7_646
O6T W6 K1B 93.9(7) . 7_646
O56 W6 K1B 60.6(6) . 7_646
O46 W6 K1B 132.8(7) . 7_646
O36 W6 K1B 97.2(7) . 7_646
O6P2 W6 K1B 145.2(5) . 7_646
O6 W6 K1A 33.4(11) . 7_646
O6T W6 K1A 84.8(12) . 7_646
O56 W6 K1A 67.8(11) . 7_646
O46 W6 K1A 126.8(12) . 7_646
O36 W6 K1A 106.8(12) . 7_646
O6P2 W6 K1A 150.2(10) . 7_646
K1B W6 K1A 11.2(11) 7_646 7_646
O6 W6 Rb2 34.7(7) . 7_646
O6T W6 Rb2 89.0(6) . 7_646
O56 W6 Rb2 64.3(5) . 7_646
O46 W6 Rb2 129.9(7) . 7_646
O36 W6 Rb2 102.3(6) . 7_646
O6P2 W6 Rb2 148.2(4) . 7_646
K1B W6 Rb2 5.9(3) 7_646 7_646
K1A W6 Rb2 5.3(10) 7_646 7_646
O7T W7 O47 99.7(9) . .
O7T W7 O47 99.7(9) . 4_556
O47 W7 O47 87.6(11) . 4_556
O7T W7 O17 100.1(9) . .
O47 W7 O17 87.0(8) . .
O47 W7 O17 160.1(8) 4_556 .
O7T W7 O17 100.1(9) . 4_556
O47 W7 O17 160.1(8) . 4_556
O47 W7 O17 87.0(8) 4_556 4_556
O17 W7 O17 91.5(12) . 4_556
O7T W7 O7H 180.0(12) . .
O47 W7 O7H 80.4(7) . .
O47 W7 O7H 80.4(7) 4_556 .
O17 W7 O7H 79.8(7) . .
O17 W7 O7H 79.8(7) 4_556 .
O5P1 P1 O5P1 113.6(14) 4_556 .
O5P1 P1 O1P1 109.9(8) 4_556 .
O5P1 P1 O1P1 109.9(8) . .
O5P1 P1 O2P1 109.7(9) 4_556 .
O5P1 P1 O2P1 109.7(9) . .
O1P1 P1 O2P1 103.6(14) . .
O5P1 P1 Rb1 56.8(7) 4_556 .
O5P1 P1 Rb1 56.8(7) . .
O1P1 P1 Rb1 127.8(9) . .
O2P1 P1 Rb1 128.7(10) . .
O6P2 P2 O6P2 114.5(14) . 4_556
O6P2 P2 O4P2 106.9(8) . .
O6P2 P2 O4P2 106.9(8) 4_556 .
O6P2 P2 O3P2 111.8(8) . .
O6P2 P2 O3P2 111.8(8) 4_556 .
O4P2 P2 O3P2 104.1(14) . .
O6P2 P2 Rb1 57.5(7) . .
O6P2 P2 Rb1 57.5(7) 4_556 .
O4P2 P2 Rb1 129.7(10) . .
O3P2 P2 Rb1 126.3(10) . .
O1V V1 O12V 108.9(6) . 3_775
O1V V1 O12V 108.9(6) . 2_755
O12V V1 O12V 110.0(6) 3_775 2_755
O1V V1 O12V 108.9(6) . .
O12V V1 O12V 110.0(6) 3_775 .
O12V V1 O12V 110.0(6) 2_755 .
O1V V1 Rb1 40.72(9) . 3_775
O12V V1 Rb1 82.8(6) 3_775 3_775
O12V V1 Rb1 149.1(7) 2_755 3_775
O12V V1 Rb1 90.3(6) . 3_775
O1V V1 Rb1 40.72(9) . 2_755
O12V V1 Rb1 90.3(6) 3_775 2_755
O12V V1 Rb1 82.8(6) 2_755 2_755
O12V V1 Rb1 149.1(7) . 2_755
Rb1 V1 Rb1 68.80(14) 3_775 2_755
O1V V1 Rb1 40.72(9) . .
O12V V1 Rb1 149.1(7) 3_775 .
O12V V1 Rb1 90.3(6) 2_755 .
O12V V1 Rb1 82.8(6) . .
Rb1 V1 Rb1 68.80(14) 3_775 .
Rb1 V1 Rb1 68.80(14) 2_755 .
O4V V2 O12V 99.2(9) 2_755 2_755
O4V V2 O5 99.3(10) 2_755 .
O12V V2 O5 95.7(8) 2_755 .
O4V V2 O6T 100.9(9) 2_755 2_755
O12V V2 O6T 92.3(7) 2_755 2_755
O5 V2 O6T 156.7(9) . 2_755
O4V V2 O2V 97.6(9) 2_755 .
O12V V2 O2V 162.8(8) 2_755 .
O5 V2 O2V 84.8(7) . .
O6T V2 O2V 81.3(7) 2_755 .
O4V V2 O3V 176.6(9) 2_755 .
O12V V2 O3V 82.3(8) 2_755 .
O5 V2 O3V 77.5(8) . .
O6T V2 O3V 82.0(8) 2_755 .
O2V V2 O3V 81.1(8) . .
O4V V2 K3B 138.3(16) 2_755 7_646
O12V V2 K3B 117.1(15) 2_755 7_646
O5 V2 K3B 59.3(12) . 7_646
O6T V2 K3B 97.6(12) 2_755 7_646
O2V V2 K3B 48.9(14) . 7_646
O3V V2 K3B 39.0(15) . 7_646
O4V V2 K3A 130.2(7) 2_755 .
O12V V2 K3A 125.8(6) 2_755 .
O5 V2 K3A 60.1(7) . .
O6T V2 K3A 97.7(6) 2_755 .
O2V V2 K3A 40.7(6) . .
O3V V2 K3A 47.2(5) . .
K3B V2 K3A 8.8(14) 7_646 .
O5P1 Rb1 O5P1 50.8(6) 4_556 .
O5P1 Rb1 O6P2 85.8(4) 4_556 .
O5P1 Rb1 O6P2 64.6(4) . .
O5P1 Rb1 O6P2 64.6(4) 4_556 4_556
O5P1 Rb1 O6P2 85.8(4) . 4_556
O6P2 Rb1 O6P2 48.9(5) . 4_556
O5P1 Rb1 O1V 114.2(5) 4_556 4_556
O5P1 Rb1 O1V 146.8(3) . 4_556
O6P2 Rb1 O1V 148.6(3) . 4_556
O6P2 Rb1 O1V 116.2(5) 4_556 4_556
O5P1 Rb1 O1V 146.8(4) 4_556 .
O5P1 Rb1 O1V 114.2(5) . .
O6P2 Rb1 O1V 116.2(5) . .
O6P2 Rb1 O1V 148.6(3) 4_556 .
O1V Rb1 O1V 59.7(9) 4_556 .
O5P1 Rb1 O4V 150.6(5) 4_556 .
O5P1 Rb1 O4V 117.3(4) . .
O6P2 Rb1 O4V 66.0(4) . .
O6P2 Rb1 O4V 89.4(4) 4_556 .
O1V Rb1 O4V 89.0(4) 4_556 .
O1V Rb1 O4V 60.2(4) . .
O5P1 Rb1 O4V 117.3(4) 4_556 4_556
O5P1 Rb1 O4V 150.6(5) . 4_556
O6P2 Rb1 O4V 89.4(4) . 4_556
O6P2 Rb1 O4V 66.0(4) 4_556 4_556
O1V Rb1 O4V 60.2(4) 4_556 4_556
O1V Rb1 O4V 89.0(4) . 4_556
O4V Rb1 O4V 57.4(7) . 4_556
O5P1 Rb1 O4V 66.3(4) 4_556 5_756
O5P1 Rb1 O4V 89.5(5) . 5_756
O6P2 Rb1 O4V 150.6(5) . 5_756
O6P2 Rb1 O4V 119.5(4) 4_556 5_756
O1V Rb1 O4V 58.4(3) 4_556 5_756
O1V Rb1 O4V 86.2(4) . 5_756
O4V Rb1 O4V 142.8(5) . 5_756
O4V Rb1 O4V 110.9(7) 4_556 5_756
O5P1 Rb1 O4V 89.5(5) 4_556 2_755
O5P1 Rb1 O4V 66.3(4) . 2_755
O6P2 Rb1 O4V 119.5(4) . 2_755
O6P2 Rb1 O4V 150.6(5) 4_556 2_755
O1V Rb1 O4V 86.2(4) 4_556 2_755
O1V Rb1 O4V 58.4(3) . 2_755
O4V Rb1 O4V 110.9(7) . 2_755
O4V Rb1 O4V 142.8(5) 4_556 2_755
O4V Rb1 O4V 54.6(6) 5_756 2_755
O5P1 Rb1 P1 25.4(3) 4_556 .
O5P1 Rb1 P1 25.4(3) . .
O6P2 Rb1 P1 74.0(3) . .
O6P2 Rb1 P1 74.0(3) 4_556 .
O1V Rb1 P1 133.5(3) 4_556 .
O1V Rb1 P1 133.5(3) . .
O4V Rb1 P1 137.5(3) . .
O4V Rb1 P1 137.5(3) 4_556 .
O4V Rb1 P1 76.7(4) 5_756 .
O4V Rb1 P1 76.7(4) 2_755 .
O5P1 Rb1 P2 72.1(4) 4_556 .
O5P1 Rb1 P2 72.1(4) . .
O6P2 Rb1 P2 24.5(3) . .
O6P2 Rb1 P2 24.5(3) 4_556 .
O1V Rb1 P2 136.8(3) 4_556 .
O1V Rb1 P2 136.8(3) . .
O4V Rb1 P2 78.6(4) . .
O4V Rb1 P2 78.6(4) 4_556 .
O4V Rb1 P2 137.0(4) 5_756 .
O4V Rb1 P2 137.0(4) 2_755 .
P1 Rb1 P2 70.3(2) . .
W1 O1T K1B 104.3(10) . .
W1 O1T K1A 106.4(16) . .
W1 O1T Rb2 105.7(9) . .
W1 O1T K3B 88.2(14) . .
K1B O1T K3B 100.9(16) . .
K1A O1T K3B 119(2) . .
Rb2 O1T K3B 109.2(16) . .
V1 O1V Rb1 119.9(5) . 3_775
V1 O1V Rb1 119.9(5) . 2_755
Rb1 O1V Rb1 97.4(6) 3_775 2_755
V1 O1V Rb1 119.9(5) . .
Rb1 O1V Rb1 97.4(6) 3_775 .
Rb1 O1V Rb1 97.4(6) 2_755 .
W2 O2T K2A 140.1(12) . .
W2 O2T K2C 120.0(13) . .
W2 O2T K1B 112.1(11) . .
K2A O2T K1B 105.4(9) . .
K2C O2T K1B 127.2(12) . .
W2 O2T Rb2 109.6(10) . .
K2A O2T Rb2 105.5(8) . .
K2C O2T Rb2 127.4(11) . .
W2 O2T K2B 73(2) . .
K2A O2T K2B 77(2) . .
K2C O2T K2B 70(3) . .
K1B O2T K2B 121(3) . .
Rb2 O2T K2B 112(3) . .
W2 O2T K1A 106.6(16) . .
K2A O2T K1A 105.5(14) . .
K2C O2T K1A 127.1(17) . .
K2B O2T K1A 104(3) . .
V2 O2V K3B 119(2) . .
V2 O2V K3A 109.5(8) . .
V2 O2V K3B 99.6(17) . 7_646
W3 O3T K2C 118.7(12) . 2_645
W3 O3T K2A 108.8(9) . 2_645
K2C O3T K2A 21.7(8) 2_645 2_645
W3 O3T K2C 113.1(11) . .
K2C O3T K2C 114.9(15) 2_645 .
K2A O3T K2C 133.9(11) 2_645 .
V2 O3V K3B 107(2) . 7_646
V2 O3V K3A 97.7(7) . .
K3B O3V K3A 10(2) 7_646 .
W4 O4T K2A 104.8(9) . 2_645
W4 O4T Rb2 149.2(11) . 2_645
K2A O4T Rb2 95.7(7) 2_645 2_645
W4 O4T K1A 140(2) . 2_645
K2A O4T K1A 103.1(18) 2_645 2_645
Rb2 O4T K1A 9.1(16) 2_645 2_645
W4 O4T K1B 156.8(11) . 2_645
K2A O4T K1B 88.9(8) 2_645 2_645
Rb2 O4T K1B 8.0(4) 2_645 2_645
K1A O4T K1B 17.0(17) 2_645 2_645
V2 O4V Rb1 123.9(9) 3_775 .
V2 O4V Rb1 121.7(9) 3_775 3_775
Rb1 O4V Rb1 86.9(5) . 3_775
W5 O5 V2 161.6(11) . .
W5 O5T K1B 121.2(9) . 7_646
W5 O5T K3B 105.8(18) . 7_646
K1B O5T K3B 119(2) 7_646 7_646
W5 O5T K3A 97.9(7) . .
K1B O5T K3A 130.9(8) 7_646 .
K3B O5T K3A 12(2) 7_646 .
W5 O5T Rb2 122.5(8) . 7_646
K1B O5T Rb2 5.6(5) 7_646 7_646
K3B O5T Rb2 115(2) 7_646 7_646
K3A O5T Rb2 126.1(6) . 7_646
W5 O5T K1A 123.8(14) . 7_646
K1B O5T K1A 10.1(12) 7_646 7_646
K3B O5T K1A 110(2) 7_646 7_646
K3A O5T K1A 121.9(14) . 7_646
Rb2 O5T K1A 4.6(13) 7_646 7_646
W5 O5T K3B 91.1(15) . .
K1B O5T K3B 141.3(18) 7_646 .
K3B O5T K3B 23(4) 7_646 .
K3A O5T K3B 11.0(17) . .
Rb2 O5T K3B 136.8(18) 7_646 .
K1A O5T K3B 133(2) 7_646 .
W6 O6 K1A 128.6(16) . 7_646
W6 O6 Rb2 124.9(9) . 7_646
K1A O6 Rb2 8.2(15) 7_646 7_646
W6 O6 K1B 120.3(10) . 7_646
K1A O6 K1B 17.4(16) 7_646 7_646
Rb2 O6 K1B 9.2(5) 7_646 7_646
W6 O6T V2 164.1(11) . 3_775
W1 O11 W1 119.6(14) 4_556 .
P1 O1P1 W1 126.5(6) . 4_556
P1 O1P1 W1 126.5(6) . .
W1 O1P1 W1 95.0(8) 4_556 .
W1 O12 W2 144.8(10) . .
W1 O12 K1B 102.4(8) . .
W2 O12 K1B 96.7(8) . .
W1 O12 Rb2 101.3(7) . .
W2 O12 Rb2 101.9(7) . .
K1B O12 Rb2 8.9(4) . .
W1 O12 K1A 100.0(15) . .
W2 O12 K1A 107.0(17) . .
K1B O12 K1A 18.3(17) . .
Rb2 O12 K1A 9.4(16) . .
V1 O12V V2 142.5(11) . 3_775
W1 O15 W5 150.6(10) . .
W1 O15 K3B 103(2) . .
W5 O15 K3B 104(2) . .
W1 O15 K3A 113.7(7) . .
W5 O15 K3A 94.2(7) . .
K3B O15 K3A 10(2) . .
W1 O15 K3B 122.7(16) . 7_646
W5 O15 K3B 85.1(16) . 7_646
K3B O15 K3B 19(3) . 7_646
K3A O15 K3B 9.1(15) . 7_646
W7 O17 W1 134.8(11) . 3_775
P1 O2P1 W2 126.6(7) . .
P1 O2P1 W2 126.6(7) . 4_556
W2 O2P1 W2 95.9(9) . 4_556
K2B O22 W2 116.4(18) . .
K2B O22 W2 116.4(18) . 4_556
W2 O22 W2 116.2(14) . 4_556
K2B O22 K2D 10(3) . 4_556
W2 O22 K2D 121.4(11) . 4_556
W2 O22 K2D 107.0(10) 4_556 4_556
K2B O22 K2D 10(3) . .
W2 O22 K2D 107.0(10) . .
W2 O22 K2D 121.4(11) 4_556 .
K2D O22 K2D 15.4(12) 4_556 .
W3 O23 W2 157.3(11) . .
W3 O23 K2B 135(3) . .
W2 O23 K2B 68(2) . .
W2 O25 W5 152.4(11) . .
P2 O3P2 W3 125.4(8) . 4_556
P2 O3P2 W3 125.4(8) . .
W3 O3P2 W3 97.3(10) 4_556 .
W3 O33 W3 117.4(15) 4_556 .
W3 O33 K2D 110.3(12) 4_556 2_645
W3 O33 K2D 98.0(10) . 2_645
W3 O33 K2D 98.0(10) 4_556 5_646
W3 O33 K2D 110.3(12) . 5_646
K2D O33 K2D 14.0(11) 2_645 5_646
W3 O34 W4 148.7(10) . .
W3 O34 K2D 104.8(9) . 2_645
W4 O34 K2D 105.2(9) . 2_645
W3 O34 K2A 101.5(7) . 2_645
W4 O34 K2A 100.6(8) . 2_645
K2D O34 K2A 61.1(8) 2_645 2_645
W3 O34 K2D 103.6(8) . 5_646
W4 O34 K2D 104.0(8) . 5_646
K2D O34 K2D 11.8(9) 2_645 5_646
K2A O34 K2D 72.9(7) 2_645 5_646
W3 O34 K2C 91.6(9) . 2_645
W4 O34 K2C 114.7(10) . 2_645
K2D O34 K2C 49.6(9) 2_645 2_645
K2A O34 K2C 17.4(7) 2_645 2_645
K2D O34 K2C 61.0(9) 5_646 2_645
W3 O36 W6 152.7(11) . .
P2 O4P2 W4 126.2(8) . .
P2 O4P2 W4 126.2(8) . 4_556
W4 O4P2 W4 93.2(9) . 4_556
W4 O44 W4 117.9(13) . 4_556
W4 O44 K2B 112.0(12) . 2_645
W4 O44 K2B 112.0(12) 4_556 2_645
W4 O44 K2D 96.4(9) . 2_645
W4 O44 K2D 108.3(10) 4_556 2_645
K2B O44 K2D 23(2) 2_645 2_645
W4 O44 K2D 108.3(10) . 5_646
W4 O44 K2D 96.4(9) 4_556 5_646
K2B O44 K2D 23(2) 2_645 5_646
K2D O44 K2D 13.6(11) 2_645 5_646
W4 O46 W6 148.8(11) . .
W7 O47 W4 147.0(10) . .
P1 O5P1 W5 135.6(10) . .
P1 O5P1 Rb1 97.8(8) . .
W5 O5P1 Rb1 126.6(7) . .
W5 O56 W6 165.7(11) . .
P2 O6P2 W6 136.0(10) . .
P2 O6P2 Rb1 97.9(8) . .
W6 O6P2 Rb1 125.8(6) . .
O6 Rb2 O2T 94.5(7) 7_646 .
O6 Rb2 O2W 86.0(7) 7_646 .
O2T Rb2 O2W 158.4(10) . .
O6 Rb2 O6W 76.7(11) 7_646 .
O2T Rb2 O6W 132.6(12) . .
O2W Rb2 O6W 68.6(12) . .
O6 Rb2 O12 147.3(8) 7_646 .
O2T Rb2 O12 53.7(6) . .
O2W Rb2 O12 120.3(7) . .
O6W Rb2 O12 128.6(13) . .
O6 Rb2 O1T 147.4(7) 7_646 .
O2T Rb2 O1T 105.0(6) . .
O2W Rb2 O1T 66.3(7) . .
O6W Rb2 O1T 106.5(12) . .
O12 Rb2 O1T 54.1(5) . .
O6 Rb2 O5T 88.0(7) 7_646 7_646
O2T Rb2 O5T 87.5(7) . 7_646
O2W Rb2 O5T 70.9(7) . 7_646
O6W Rb2 O5T 137.4(11) . 7_646
O12 Rb2 O5T 83.6(6) . 7_646
O1T Rb2 O5T 67.4(6) . 7_646
O6 Rb2 O4T 62.1(6) 7_646 3_765
O2T Rb2 O4T 69.9(6) . 3_765
O2W Rb2 O4T 127.9(7) . 3_765
O6W Rb2 O4T 64.8(11) . 3_765
O12 Rb2 O4T 106.6(6) . 3_765
O1T Rb2 O4T 149.4(9) . 3_765
O5T Rb2 O4T 139.6(8) 7_646 3_765
O6 Rb2 O3W 126.6(9) 7_646 3_765
O2T Rb2 O3W 74.1(8) . 3_765
O2W Rb2 O3W 122.4(11) . 3_765
O6W Rb2 O3W 74.7(13) . 3_765
O12 Rb2 O3W 57.9(8) . 3_765
O1T Rb2 O3W 84.4(9) . 3_765
O5T Rb2 O3W 141.2(8) 7_646 3_765
O4T Rb2 O3W 65.1(9) 3_765 3_765
O6 Rb2 W1 159.6(8) 7_646 .
O2T Rb2 W1 80.5(5) . .
O2W Rb2 W1 91.5(5) . .
O6W Rb2 W1 121.0(12) . .
O12 Rb2 W1 28.8(4) . .
O1T Rb2 W1 25.3(4) . .
O5T Rb2 W1 72.1(4) 7_646 .
O4T Rb2 W1 132.2(5) 3_765 .
O3W Rb2 W1 71.3(7) 3_765 .
O6 Rb2 W2 118.4(6) 7_646 .
O2T Rb2 W2 24.4(4) . .
O2W Rb2 W2 144.7(6) . .
O6W Rb2 W2 138.1(12) . .
O12 Rb2 W2 29.4(4) . .
O1T Rb2 W2 81.4(4) . .
O5T Rb2 W2 84.1(5) 7_646 .
O4T Rb2 W2 87.3(4) 3_765 .
O3W Rb2 W2 65.1(7) 3_765 .
W1 Rb2 W2 56.45(13) . .
O6 Rb2 W6 20.4(4) 7_646 7_646
O2T Rb2 W6 105.1(6) . 7_646
O2W Rb2 W6 69.7(5) . 7_646
O6W Rb2 W6 82.5(10) . 7_646
O12 Rb2 W6 148.7(8) . 7_646
O1T Rb2 W6 127.0(6) . 7_646
O5T Rb2 W6 71.6(5) 7_646 7_646
O4T Rb2 W6 82.3(5) 3_765 7_646
O3W Rb2 W6 145.8(8) 3_765 7_646
W1 Rb2 W6 142.9(5) . 7_646
W2 Rb2 W6 125.9(5) . 7_646
O6W K1A O6 78(2) . 7_646
O6W K1A O2W 73(2) . .
O6 K1A O2W 81.3(19) 7_646 .
O6W K1A O1T 118(3) . .
O6 K1A O1T 136(3) 7_646 .
O2W K1A O1T 66.8(16) . .
O6W K1A O4T 70(2) . 3_765
O6 K1A O4T 60.4(14) 7_646 3_765
O2W K1A O4T 131(2) . 3_765
O1T K1A O4T 161(3) . 3_765
O6W K1A O12 146(4) . .
O6 K1A O12 133(3) 7_646 .
O2W K1A O12 120(2) . .
O1T K1A O12 54.5(13) . .
O4T K1A O12 109(2) 3_765 .
O6W K1A O2T 138(3) . .
O6 K1A O2T 86(2) 7_646 .
O2W K1A O2T 142(3) . .
O1T K1A O2T 101(2) . .
O4T K1A O2T 68.2(15) 3_765 .
O12 K1A O2T 51.5(13) . .
O6W K1A O5T 133(3) . 7_646
O6 K1A O5T 77(2) 7_646 7_646
O2W K1A O5T 64.9(17) . 7_646
O1T K1A O5T 62.4(15) . 7_646
O4T K1A O5T 126(3) 3_765 7_646
O12 K1A O5T 76.7(19) . 7_646
O2T K1A O5T 77(2) . 7_646
O6W K1A O3W 87(3) . 3_765
O6 K1A O3W 131(3) 7_646 3_765
O2W K1A O3W 137(3) . 3_765
O1T K1A O3W 92(2) . 3_765
O4T K1A O3W 70.9(19) 3_765 3_765
O12 K1A O3W 61.9(17) . 3_765
O2T K1A O3W 76.1(18) . 3_765
O5T K1A O3W 139(3) 7_646 3_765
O6W K1A W1 134(3) . .
O6 K1A W1 144(3) 7_646 .
O2W K1A W1 92.0(18) . .
O1T K1A W1 25.4(7) . .
O4T K1A W1 137(2) 3_765 .
O12 K1A W1 29.2(7) . .
O2T K1A W1 78.4(15) . .
O5T K1A W1 68.4(13) 7_646 .
O3W K1A W1 75.4(17) 3_765 .
O6W K1A W6 80(2) . 7_646
O6 K1A W6 18.0(7) 7_646 7_646
O2W K1A W6 64.8(15) . 7_646
O1T K1A W6 119(2) . 7_646
O4T K1A W6 78.2(16) 3_765 7_646
O12 K1A W6 134(3) . 7_646
O2T K1A W6 95(2) . 7_646
O5T K1A W6 64.4(14) 7_646 7_646
O3W K1A W6 149(2) 3_765 7_646
W1 K1A W6 133(2) . 7_646
O6W K1A W2 149(3) . .
O6 K1A W2 109(2) 7_646 .
O2W K1A W2 138(3) . .
O1T K1A W2 79.7(16) . .
O4T K1A W2 86.1(16) 3_765 .
O12 K1A W2 27.6(8) . .
O2T K1A W2 24.0(6) . .
O5T K1A W2 77.1(16) 7_646 .
O3W K1A W2 65.8(15) 3_765 .
W1 K1A W2 55.6(9) . .
W6 K1A W2 115(2) 7_646 .
O5T K1B O6 99.6(10) 7_646 7_646
O5T K1B O2T 98.8(10) 7_646 .
O6 K1B O2T 102.1(10) 7_646 .
O5T K1B O12 89.5(8) 7_646 .
O6 K1B O12 156.5(10) 7_646 .
O2T K1B O12 54.8(7) . .
O5T K1B O2W 75.0(8) 7_646 .
O6 K1B O2W 87.2(8) 7_646 .
O2T K1B O2W 169.7(10) . .
O12 K1B O2W 116.2(9) . .
O5T K1B O1T 70.6(7) 7_646 .
O6 K1B O1T 150.9(9) 7_646 .
O2T K1B O1T 106.4(8) . .
O12 K1B O1T 52.6(6) . .
O2W K1B O1T 64.0(7) . .
O5T K1B O6W 137.1(13) 7_646 .
O6 K1B O6W 72.7(11) 7_646 .
O2T K1B O6W 124.1(13) . .
O12 K1B O6W 114.6(13) . .
O2W K1B O6W 62.7(12) . .
O1T K1B O6W 95.6(12) . .
O5T K1B O4T 153.1(11) 7_646 3_765
O6 K1B O4T 61.4(7) 7_646 3_765
O2T K1B O4T 69.7(7) . 3_765
O12 K1B O4T 101.9(8) . 3_765
O2W K1B O4T 119.4(10) . 3_765
O1T K1B O4T 135.3(11) . 3_765
O6W K1B O4T 59.1(11) . 3_765
O5T K1B W1 74.7(6) 7_646 .
O6 K1B W1 173.8(10) 7_646 .
O2T K1B W1 81.3(6) . .
O12 K1B W1 28.1(4) . .
O2W K1B W1 89.0(7) . .
O1T K1B W1 25.1(4) . .
O6W K1B W1 109.8(12) . .
O4T K1B W1 124.9(8) 3_765 .
O5T K1B W2 91.2(7) 7_646 .
O6 K1B W2 126.7(8) 7_646 .
O2T K1B W2 24.6(5) . .
O12 K1B W2 30.7(4) . .
O2W K1B W2 145.6(8) . .
O1T K1B W2 81.8(6) . .
O6W K1B W2 127.9(12) . .
O4T K1B W2 86.8(6) 3_765 .
W1 K1B W2 56.7(3) . .
O5T K1B W5 22.0(4) 7_646 7_646
O6 K1B W5 79.1(7) 7_646 7_646
O2T K1B W5 111.1(9) . 7_646
O12 K1B W5 111.6(8) . 7_646
O2W K1B W5 65.9(6) . 7_646
O1T K1B W5 85.2(7) . 7_646
O6W K1B W5 121.6(11) . 7_646
O4T K1B W5 138.8(8) 3_765 7_646
W1 K1B W5 94.8(5) . 7_646
W2 K1B W5 110.1(7) . 7_646
O5T K1B W6 78.9(7) 7_646 7_646
O6 K1B W6 22.8(4) 7_646 7_646
O2T K1B W6 114.9(9) . 7_646
O12 K1B W6 163.4(10) . 7_646
O2W K1B W6 72.5(6) . 7_646
O1T K1B W6 131.6(7) . 7_646
O6W K1B W6 81.8(10) . 7_646
O4T K1B W6 84.1(6) 3_765 7_646
W1 K1B W6 151.0(7) . 7_646
W2 K1B W6 136.5(7) . 7_646
W5 K1B W6 57.5(4) 7_646 7_646
O1W K2A O2T 83.8(12) . .
O1W K2A O3T 120.0(13) . 3_765
O2T K2A O3T 156.2(10) . 3_765
O1W K2A O4W 45.6(9) . .
O2T K2A O4W 121.7(11) . .
O3T K2A O4W 79.8(9) 3_765 .
O1W K2A O34 120.0(13) . 3_765
O2T K2A O34 114.8(8) . 3_765
O3T K2A O34 54.9(6) 3_765 3_765
O4W K2A O34 80.1(9) . 3_765
O1W K2A O4T 77.5(11) . 3_765
O2T K2A O4T 76.6(8) . 3_765
O3T K2A O4T 106.4(8) 3_765 3_765
O4W K2A O4T 67.1(14) . 3_765
O34 K2A O4T 55.8(6) 3_765 3_765
O1W K2A O10W 62.5(13) . .
O2T K2A O10W 75.7(18) . .
O3T K2A O10W 114(2) 3_765 .
O4W K2A O10W 97.3(10) . .
O34 K2A O10W 169(2) 3_765 .
O4T K2A O10W 133.1(18) 3_765 .
O1W K2A W4 98.3(11) . 3_765
O2T K2A W4 94.0(7) . 3_765
O3T K2A W4 82.7(6) 3_765 3_765
O4W K2A W4 72.0(12) . 3_765
O34 K2A W4 29.9(4) 3_765 3_765
O4T K2A W4 25.9(4) 3_765 3_765
O10W K2A W4 158.7(16) . 3_765
O1W K2A W3 125.3(12) . 3_765
O2T K2A W3 139.7(8) . 3_765
O3T K2A W3 25.6(4) 3_765 3_765
O4W K2A W3 79.7(4) . 3_765
O34 K2A W3 29.3(4) 3_765 3_765
O4T K2A W3 83.1(6) 3_765 3_765
O10W K2A W3 140(2) . 3_765
W4 K2A W3 58.0(3) 3_765 3_765
O1W K2A Rb2 60.8(10) . .
O2T K2A Rb2 39.6(6) . .
O3T K2A Rb2 149.9(8) 3_765 .
O4W K2A Rb2 84.7(11) . .
O34 K2A Rb2 97.2(6) 3_765 .
O4T K2A Rb2 43.5(5) 3_765 .
O10W K2A Rb2 93.3(19) . .
W4 K2A Rb2 67.9(4) 3_765 .
W3 K2A Rb2 126.0(5) 3_765 .
O1W K2A K1A 65.2(14) . .
O2T K2A K1A 41.2(10) . .
O3T K2A K1A 145.3(13) 3_765 .
O4W K2A K1A 85.5(14) . .
O34 K2A K1A 91.7(12) 3_765 .
O4T K2A K1A 39.0(11) 3_765 .
O10W K2A K1A 99(2) . .
W4 K2A K1A 62.8(11) 3_765 .
W3 K2A K1A 120.7(12) 3_765 .
Rb2 K2A K1A 5.7(10) . .
O1W K2A K2A 53.6(10) . 8_556
O2T K2A K2A 136.2(9) . 8_556
O3T K2A K2A 67.2(7) 3_765 8_556
O4W K2A K2A 33.6(13) . 8_556
O34 K2A K2A 97.3(6) 3_765 8_556
O4T K2A K2A 100.7(5) 3_765 8_556
O10W K2A K2A 75.4(11) . 8_556
W4 K2A K2A 101.3(4) 3_765 8_556
W3 K2A K2A 81.4(5) 3_765 8_556
Rb2 K2A K2A 111.0(4) . 8_556
K1A K2A K2A 113.7(10) . 8_556
O22 K2B W2 35.7(17) . 4_556
O22 K2B W2 35.7(17) . .
W2 K2B W2 67(3) 4_556 .
O22 K2B O2T 65(2) . .
W2 K2B O2T 99(4) 4_556 .
W2 K2B O2T 32.8(10) . .
O22 K2B O2T 65(2) . 4_556
W2 K2B O2T 32.8(10) 4_556 4_556
W2 K2B O2T 99(4) . 4_556
O2T K2B O2T 130(5) . 4_556
O22 K2B O44 114(6) . 3_765
W2 K2B O44 120(4) 4_556 3_765
W2 K2B O44 120(4) . 3_765
O2T K2B O44 98(3) . 3_765
O2T K2B O44 98(3) 4_556 3_765
O22 K2B O23 59(4) . .
W2 K2B O23 73(3) 4_556 .
W2 K2B O23 35.6(13) . .
O2T K2B O23 51.2(15) . .
O2T K2B O23 103(4) 4_556 .
O44 K2B O23 150(2) 3_765 .
O22 K2B O23 59(4) . 4_556
W2 K2B O23 35.6(13) 4_556 4_556
W2 K2B O23 73(3) . 4_556
O2T K2B O23 103(4) . 4_556
O2T K2B O23 51.2(15) 4_556 4_556
O44 K2B O23 150(2) 3_765 4_556
O23 K2B O23 56(2) . 4_556
O22 K2B O7W 129(7) . .
W2 K2B O7W 111(4) 4_556 .
W2 K2B O7W 111(4) . .
O2T K2B O7W 107(3) . .
O2T K2B O7W 107(3) 4_556 .
O44 K2B O7W 118(4) 3_765 .
O23 K2B O7W 76(3) . .
O23 K2B O7W 76(3) 4_556 .
O22 K2B O3W 63(5) . 6_766
W2 K2B O3W 74(3) 4_556 6_766
W2 K2B O3W 83(3) . 6_766
O2T K2B O3W 84(3) . 6_766
O2T K2B O3W 71(2) 4_556 6_766
O44 K2B O3W 51(2) 3_765 6_766
O23 K2B O3W 117(4) . 6_766
O23 K2B O3W 110(3) 4_556 6_766
O7W K2B O3W 166(4) . 6_766
O22 K2B O3W 63(5) . 3_765
W2 K2B O3W 83(3) 4_556 3_765
W2 K2B O3W 74(3) . 3_765
O2T K2B O3W 71(2) . 3_765
O2T K2B O3W 84(3) 4_556 3_765
O44 K2B O3W 51(2) 3_765 3_765
O23 K2B O3W 110(3) . 3_765
O23 K2B O3W 117(4) 4_556 3_765
O7W K2B O3W 166(4) . 3_765
O3W K2B O3W 14.6(13) 6_766 3_765
O22 K2B Rb2 65(3) . 4_556
W2 K2B Rb2 51.2(14) 4_556 4_556
W2 K2B Rb2 99(3) . 4_556
O2T K2B Rb2 117(4) . 4_556
O2T K2B Rb2 33.4(14) 4_556 4_556
O44 K2B Rb2 69(2) 3_765 4_556
O23 K2B Rb2 122(3) . 4_556
O23 K2B Rb2 81.7(17) 4_556 4_556
O7W K2B Rb2 134.7(11) . 4_556
O3W K2B Rb2 38.8(11) 6_766 4_556
O3W K2B Rb2 53.2(16) 3_765 4_556
O1W K2C K2D 121.7(18) . .
O1W K2C O3T 96.6(15) . 3_765
K2D K2C O3T 88.0(14) . 3_765
O1W K2C O2T 67.8(12) . .
K2D K2C O2T 76.6(13) . .
O3T K2C O2T 146.0(17) 3_765 .
O1W K2C O10W 61.5(13) . .
K2D K2C O10W 149(2) . .
O3T K2C O10W 123(2) 3_765 .
O2T K2C O10W 77(2) . .
O1W K2C O3T 121.3(15) . .
K2D K2C O3T 101.4(14) . .
O3T K2C O3T 124.7(15) 3_765 .
O2T K2C O3T 88.3(12) . .
O10W K2C O3T 61.1(9) . .
O1W K2C O7W 167(2) . .
K2D K2C O7W 46.8(17) . .
O3T K2C O7W 79(2) 3_765 .
O2T K2C O7W 110(2) . .
O10W K2C O7W 131(2) . .
O3T K2C O7W 70.4(19) . .
O1W K2C O34 84.8(13) . 3_765
K2D K2C O34 55.4(10) . 3_765
O3T K2C O34 49.7(8) 3_765 3_765
O2T K2C O34 97.6(12) . 3_765
O10W K2C O34 145.6(15) . 3_765
O3T K2C O34 153.3(14) . 3_765
O7W K2C O34 83.2(19) . 3_765
O1W K2C K2D 125.4(16) . 4_556
K2D K2C K2D 3.7(4) . 4_556
O3T K2C K2D 87.9(12) 3_765 4_556
O2T K2C K2D 78.7(12) . 4_556
O10W K2C K2D 148(2) . 4_556
O3T K2C K2D 98.5(12) . 4_556
O7W K2C K2D 43.1(16) . 4_556
O34 K2C K2D 57.8(8) 3_765 4_556
O1W K2C W3 97.9(13) . 3_765
K2D K2C W3 68.0(10) . 3_765
O3T K2C W3 22.6(5) 3_765 3_765
O2T K2C W3 126.2(13) . 3_765
O10W K2C W3 142.9(18) . 3_765
O3T K2C W3 136.6(13) . 3_765
O7W K2C W3 73.2(19) . 3_765
O34 K2C W3 28.7(4) 3_765 3_765
K2D K2C W3 68.6(9) 4_556 3_765
O1W K2C W2 89.1(12) . .
K2D K2C W2 66.7(11) . .
O3T K2C W2 153.0(14) 3_765 .
O2T K2C W2 21.8(6) . .
O10W K2C W2 83(2) . .
O3T K2C W2 72.4(8) . .
O7W K2C W2 89.8(18) . .
O34 K2C W2 105.0(10) 3_765 .
K2D K2C W2 67.6(9) 4_556 .
W3 K2C W2 130.4(10) 3_765 .
O1W K2C Rb2 47.0(9) . .
K2D K2C Rb2 81.7(12) . .
O3T K2C Rb2 121.8(12) 3_765 .
O2T K2C Rb2 26.9(7) . .
O10W K2C Rb2 82(2) . .
O3T K2C Rb2 113.5(11) . .
O7W K2C Rb2 125.7(18) . .
O34 K2C Rb2 78.9(8) 3_765 .
K2D K2C Rb2 85.0(10) 4_556 .
W3 K2C Rb2 106.6(9) 3_765 .
W2 K2C Rb2 47.8(5) . .
K2D K2D O7W 81.4(8) 4_556 .
K2D K2D K2C 162.6(11) 4_556 .
O7W K2D K2C 81.5(13) . .
K2D K2D O22 82.3(6) 4_556 .
O7W K2D O22 116(3) . .
K2C K2D O22 102.6(13) . .
K2D K2D O34 114.9(7) 4_556 3_765
O7W K2D O34 113(2) . 3_765
K2C K2D O34 75.0(12) . 3_765
O22 K2D O34 129.5(13) . 3_765
K2D K2D O33 83.0(6) 4_556 3_765
O7W K2D O33 66(3) . 3_765
K2C K2D O33 93.0(13) . 3_765
O22 K2D O33 164.4(12) . 3_765
O34 K2D O33 53.8(8) 3_765 3_765
K2D K2D O44 83.2(5) 4_556 3_765
O7W K2D O44 152(2) . 3_765
K2C K2D O44 113.7(13) . 3_765
O22 K2D O44 84.4(11) . 3_765
O34 K2D O44 54.0(7) 3_765 3_765
O33 K2D O44 88.6(11) 3_765 3_765
K2D K2D O34 53.2(6) 4_556 6_766
O7W K2D O34 102(2) . 6_766
K2C K2D O34 134.3(14) . 6_766
O22 K2D O34 115.6(11) . 6_766
O34 K2D O34 61.7(8) 3_765 6_766
O33 K2D O34 50.2(7) 3_765 6_766
O44 K2D O34 50.6(6) 3_765 6_766
K2D K2D K2C 13.6(9) 4_556 4_556
O7W K2D K2C 68.1(10) . 4_556
K2C K2D K2C 149.0(19) . 4_556
O22 K2D K2C 86.6(11) . 4_556
O34 K2D K2C 121.5(12) 3_765 4_556
O33 K2D K2C 80.3(10) 3_765 4_556
O44 K2D K2C 96.5(10) 3_765 4_556
O34 K2D K2C 61.2(9) 6_766 4_556
K2D K2D W2 109.8(5) 4_556 .
O7W K2D W2 110(2) . .
K2C K2D W2 73.3(11) . .
O22 K2D W2 29.4(4) . .
O34 K2D W2 121.1(10) 3_765 .
O33 K2D W2 166.2(10) 3_765 .
O44 K2D W2 97.7(9) 3_765 .
O34 K2D W2 141.8(10) 6_766 .
K2C K2D W2 111.0(11) 4_556 .
K2D K2D W3 109.7(4) 4_556 3_765
O7W K2D W3 85(2) . 3_765
K2C K2D W3 71.7(11) . 3_765
O22 K2D W3 157.5(11) . 3_765
O34 K2D W3 28.4(4) 3_765 3_765
O33 K2D W3 30.2(4) 3_765 3_765
O44 K2D W3 78.4(7) 3_765 3_765
O34 K2D W3 63.3(6) 6_766 3_765
K2C K2D W3 109.6(11) 4_556 3_765
W2 K2D W3 139.4(8) . 3_765
K2D K2D W4 109.6(4) 4_556 3_765
O7W K2D W4 141(2) . 3_765
K2C K2D W4 85.9(11) . 3_765
O22 K2D W4 101.8(10) . 3_765
O34 K2D W4 28.5(4) 3_765 3_765
O33 K2D W4 78.3(8) 3_765 3_765
O44 K2D W4 30.1(3) 3_765 3_765
O34 K2D W4 63.2(6) 6_766 3_765
K2C K2D W4 121.5(11) 4_556 3_765
W2 K2D W4 101.1(7) . 3_765
W3 K2D W4 56.7(4) 3_765 3_765
O2V K3A O2V 125.8(10) . 7_646
O2V K3A O15 160.7(5) . 7_646
O2V K3A O15 61.5(5) 7_646 7_646
O2V K3A O15 61.5(5) . .
O2V K3A O15 160.7(5) 7_646 .
O15 K3A O15 118.5(10) 7_646 .
O2V K3A O3V 60.3(6) . .
O2V K3A O3V 103.4(7) 7_646 .
O15 K3A O3V 101.5(5) 7_646 .
O15 K3A O3V 95.6(5) . .
O2V K3A O3V 103.4(7) . 7_646
O2V K3A O3V 60.3(6) 7_646 7_646
O15 K3A O3V 95.6(5) 7_646 7_646
O15 K3A O3V 101.5(5) . 7_646
O3V K3A O3V 146.2(11) . 7_646
O2V K3A O5T 95.9(5) . .
O2V K3A O5T 132.6(6) 7_646 .
O15 K3A O5T 72.0(6) 7_646 .
O15 K3A O5T 55.5(6) . .
O3V K3A O5T 76.4(5) . .
O3V K3A O5T 137.0(8) 7_646 .
O2V K3A O5T 132.6(6) . 7_646
O2V K3A O5T 95.9(5) 7_646 7_646
O15 K3A O5T 55.5(6) 7_646 7_646
O15 K3A O5T 72.0(6) . 7_646
O3V K3A O5T 137.0(8) . 7_646
O3V K3A O5T 76.4(5) 7_646 7_646
O5T K3A O5T 62.5(8) . 7_646
O2V K3A O5W 63.1(13) . 2_755
O2V K3A O5W 63.7(13) 7_646 2_755
O15 K3A O5W 116.6(12) 7_646 2_755
O15 K3A O5W 123.9(13) . 2_755
O3V K3A O5W 63.3(11) . 2_755
O3V K3A O5W 83.0(11) 7_646 2_755
O5T K3A O5W 139.7(10) . 2_755
O5T K3A O5W 156.5(11) 7_646 2_755
O2V K3A O5W 63.7(13) . 8_666
O2V K3A O5W 63.1(13) 7_646 8_666
O15 K3A O5W 123.9(13) 7_646 8_666
O15 K3A O5W 116.6(12) . 8_666
O3V K3A O5W 83.0(11) . 8_666
O3V K3A O5W 63.3(11) 7_646 8_666
O5T K3A O5W 156.5(11) . 8_666
O5T K3A O5W 139.7(10) 7_646 8_666
O5W K3A O5W 21.5(19) 2_755 8_666
O2V K3A W5 160.1(6) . 7_646
O2V K3A W5 70.6(4) 7_646 7_646
O15 K3A W5 32.3(3) 7_646 7_646
O15 K3A W5 99.4(6) . 7_646
O3V K3A W5 131.8(5) . 7_646
O3V K3A W5 73.8(4) 7_646 7_646
O5T K3A W5 75.3(5) . 7_646
O5T K3A W5 27.6(3) 7_646 7_646
O5W K3A W5 134.3(12) 2_755 7_646
O5W K3A W5 127.8(11) 8_666 7_646
O2V K3A W5 70.6(4) . .
O2V K3A W5 160.1(6) 7_646 .
O15 K3A W5 99.4(6) 7_646 .
O15 K3A W5 32.3(4) . .
O3V K3A W5 73.8(4) . .
O3V K3A W5 131.8(5) 7_646 .
O5T K3A W5 27.6(3) . .
O5T K3A W5 75.3(5) 7_646 .
O5W K3A W5 127.8(11) 2_755 .
O5W K3A W5 134.3(12) 8_666 .
W5 K3A W5 96.4(5) 7_646 .
K3B K3B O15 115(5) 7_646 .
K3B K3B O3V 121(6) 7_646 7_646
O15 K3B O3V 122(4) . 7_646
K3B K3B O2V 96(6) 7_646 .
O15 K3B O2V 67.3(16) . .
O3V K3B O2V 116(3) 7_646 .
K3B K3B O5T 94(3) 7_646 7_646
O15 K3B O5T 80(2) . 7_646
O3V K3B O5T 85(2) 7_646 7_646
O2V K3B O5T 147(3) . 7_646
K3B K3B O2V 61(5) 7_646 7_646
O15 K3B O2V 172(3) . 7_646
O3V K3B O2V 60.6(15) 7_646 7_646
O2V K3B O2V 119(3) . 7_646
O5T K3B O2V 93.5(19) 7_646 7_646
K3B K3B O5W 88(2) 7_646 8_666
O15 K3B O5W 128(3) . 8_666
O3V K3B O5W 67(2) 7_646 8_666
O2V K3B O5W 64.3(19) . 8_666
O5T K3B O5W 148(3) 7_646 8_666
O2V K3B O5W 59.8(18) 7_646 8_666
K3B K3B O1T 161.5(18) 7_646 .
O15 K3B O1T 57.5(19) . .
O3V K3B O1T 65(2) 7_646 .
O2V K3B O1T 96(3) . .
O5T K3B O1T 68.7(19) 7_646 .
O2V K3B O1T 124(2) 7_646 .
O5W K3B O1T 110(3) 8_666 .
K3B K3B O5T 64(3) 7_646 .
O15 K3B O5T 56.5(15) . .
O3V K3B O5T 147(3) 7_646 .
O2V K3B O5T 94(2) . .
O5T K3B O5T 62.3(17) 7_646 .
O2V K3B O5T 117(3) 7_646 .
O5W K3B O5T 144(3) 8_666 .
O1T K3B O5T 101(2) . .
K3B K3B O5W 69.8(19) 7_646 2_755
O15 K3B O5W 128(3) . 2_755
O3V K3B O5W 84(2) 7_646 2_755
O2V K3B O5W 60.7(18) . 2_755
O5T K3B O5W 151(3) 7_646 2_755
O2V K3B O5W 58.1(18) 7_646 2_755
O5W K3B O5W 20.3(18) 8_666 2_755
O1T K3B O5W 129(3) . 2_755
O5T K3B O5W 124(3) . 2_755
K3B K3B O15 46(4) 7_646 7_646
O15 K3B O15 118(3) . 7_646
O3V K3B O15 94.6(19) 7_646 7_646
O2V K3B O15 141(3) . 7_646
O5T K3B O15 53.0(14) 7_646 7_646
O2V K3B O15 54.7(14) 7_646 7_646
O5W K3B O15 112(3) 8_666 7_646
O1T K3B O15 120(2) . 7_646
O5T K3B O15 65.5(17) . 7_646
O5W K3B O15 102(3) 2_755 7_646
K3B K3B W1 146(5) 7_646 .
O15 K3B W1 30.7(11) . .
O3V K3B W1 92(3) 7_646 .
O2V K3B W1 74.4(19) . .
O5T K3B W1 80(2) 7_646 .
O2V K3B W1 152(3) 7_646 .
O5W K3B W1 115(3) 8_666 .
O1T K3B W1 28.8(9) . .
O5T K3B W1 84.1(18) . .
O5W K3B W1 127(3) 2_755 .
O15 K3B W1 131(2) 7_646 .
K2A O1W K2C 18.8(11) . .
K1A O2W K1B 18.7(18) . .
K1A O2W Rb2 9.7(17) . .
K1B O2W Rb2 9.0(4) . .
O3W O3W Rb2 169.3(8) 4_556 2_645
O3W O3W K1A 168.3(17) 4_556 2_645
Rb2 O3W K1A 6.3(17) 2_645 2_645
O3W O3W K2B 82.7(7) 4_556 2_645
Rb2 O3W K2B 99.8(11) 2_645 2_645
K1A O3W K2B 106(2) 2_645 2_645
K2A O4W K2A 113(3) 8_556 .
O5W O5W K3A 79.3(9) 9_766 3_775
O5W O5W K3B 90(2) 9_766 8_566
K3A O5W K3B 11.5(18) 3_775 8_566
O5W O5W K3B 69.8(19) 9_766 3_775
K3A O5W K3B 10.3(17) 3_775 3_775
K3B O5W K3B 22(3) 8_566 3_775
K1A O6W Rb2 7.5(18) . .
K1A O6W K1B 12.7(19) . .
Rb2 O6W K1B 5.2(5) . .
K2D O7W K2D 17.1(15) . 4_556
K2D O7W K2B 19(2) . .
K2D O7W K2B 19(2) 4_556 .
K2D O7W K2C 51.7(15) . .
K2D O7W K2C 69(2) 4_556 .
K2B O7W K2C 60.8(16) . .
K2D O7W K2C 69(2) . 4_556
K2D O7W K2C 51.7(15) 4_556 4_556
K2B O7W K2C 60.8(16) . 4_556
K2C O7W K2C 120(3) . 4_556
K2C O10W K2C 150(4) 7_646 .
K2C O10W K2A 152(3) 7_646 .
K2C O10W K2A 19.8(8) . .
K2C O10W K2A 19.8(8) 7_646 7_646
K2C O10W K2A 152(3) . 7_646
K2A O10W K2A 168(4) . 7_646
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O1T 1.719(19) .
W1 O15 1.869(17) .
W1 O12 1.898(19) .
W1 O11 1.936(14) .
W1 O17 1.976(19) 2_755
W1 O1P1 2.269(14) .
W2 O2T 1.72(2) .
W2 O25 1.848(18) .
W2 O23 1.91(2) .
W2 O12 1.968(17) .
W2 O22 1.977(15) .
W2 O2P1 2.260(16) .
W3 O3T 1.74(2) .
W3 O36 1.853(19) .
W3 O23 1.894(19) .
W3 O34 1.900(16) .
W3 O33 1.964(16) .
W3 O3P2 2.236(16) .
W4 O4T 1.715(19) .
W4 O46 1.882(18) .
W4 O34 1.925(16) .
W4 O47 1.950(18) .
W4 O44 1.961(13) .
W4 O4P2 2.311(18) .
W5 O5T 1.732(17) .
W5 O5 1.837(19) .
W5 O56 1.894(17) .
W5 O15 1.982(17) .
W5 O25 2.022(17) .
W5 O5P1 2.100(17) .
W6 O6 1.741(19) .
W6 O6T 1.827(19) .
W6 O56 1.897(17) .
W6 O46 1.985(18) .
W6 O36 2.017(18) .
W6 O6P2 2.122(15) .
W7 O7T 1.68(3) .
W7 O47 1.897(18) .
W7 O47 1.897(18) 4_556
W7 O17 1.92(2) .
W7 O17 1.92(2) 4_556
W7 O7H 2.28(3) .
P1 O5P1 1.546(17) 4_556
P1 O5P1 1.546(17) .
P1 O1P1 1.55(2) .
P1 O2P1 1.56(3) .
P2 O6P2 1.508(15) .
P2 O6P2 1.508(15) 4_556
P2 O4P2 1.58(3) .
P2 O3P2 1.62(3) .
V1 O1V 1.58(3) .
V1 O12V 1.764(19) 3_775
V1 O12V 1.764(19) 2_755
V1 O12V 1.764(19) .
V2 O4V 1.570(19) 2_755
V2 O12V 1.86(2) 2_755
V2 O5 1.90(2) .
V2 O6T 1.900(19) 2_755
V2 O2V 2.137(16) .
V2 O3V 2.35(2) .
Rb1 O5P1 3.015(17) 4_556
Rb1 O5P1 3.015(17) .
Rb1 O6P2 3.065(16) .
Rb1 O6P2 3.065(16) 4_556
Rb1 O1V 3.091(14) 4_556
Rb1 O1V 3.091(14) .
Rb1 O4V 3.30(2) .
Rb1 O4V 3.30(2) 4_556
Rb1 O4V 3.453(18) 5_756
Rb1 O4V 3.453(18) 2_755
O1T K1B 3.14(3) .
O1T K1A 2.98(7) .
O1T Rb2 3.03(2) .
O1T K3B 3.18(10) .
O1V Rb1 3.091(14) 3_775
O1V Rb1 3.091(14) 2_755
O2T K2A 2.69(3) .
O2T K2C 2.87(5) .
O2T K1B 2.83(3) .
O2T Rb2 3.00(2) .
O2T K2B 3.06(6) .
O2T K1A 3.22(8) .
O2V K3B 2.71(7) .
O2V K3A 2.80(2) .
O2V K3B 3.09(8) 7_646
O3T K2C 2.82(4) 2_645
O3T K2A 2.87(3) 2_645
O3T K2C 3.33(4) .
O3V K3B 2.66(8) 7_646
O3V K3A 3.00(2) .
O4T K2A 2.97(3) 2_645
O4T Rb2 3.13(2) 2_645
O4T K1A 3.04(7) 2_645
O4T K1B 3.29(3) 2_645
O4V V2 1.570(19) 3_775
O4V Rb1 3.453(18) 3_775
O5T K1B 2.76(3) 7_646
O5T K3B 2.87(7) 7_646
O5T K3A 3.04(2) .
O5T Rb2 3.14(3) 7_646
O5T K3B 3.20(8) .
O6 K1A 3.11(8) 7_646
O6 Rb2 2.85(2) 7_646
O6 K1B 2.69(3) 7_646
O6T V2 1.900(19) 3_775
O11 W1 1.936(14) 4_556
O1P1 W1 2.269(14) 4_556
O12 K1B 3.06(3) .
O12 Rb2 3.016(19) .
O12 K1A 3.02(7) .
O12V V2 1.86(2) 3_775
O15 K3B 2.63(8) .
O15 K3A 2.98(2) .
O15 K3B 3.34(9) 7_646
O17 W1 1.976(19) 3_775
O2P1 W2 2.260(16) 4_556
O22 K2B 1.58(14) .
O22 W2 1.977(15) 4_556
O22 K2D 2.77(4) 4_556
O22 K2D 2.77(4) .
O23 K2B 3.18(11) .
O3P2 W3 2.236(16) 4_556
O33 W3 1.964(16) 4_556
O33 K2D 3.07(4) 2_645
O33 K2D 3.07(4) 5_646
O34 K2D 2.91(3) 2_645
O34 K2A 2.93(2) 2_645
O34 K2D 3.30(3) 5_646
O34 K2C 3.42(4) 2_645
O4P2 W4 2.311(17) 4_556
O44 W4 1.961(13) 4_556
O44 K2B 3.08(13) 2_645
O44 K2D 3.15(4) 2_645
O44 K2D 3.15(4) 5_646
Rb2 O6 2.85(2) 7_646
Rb2 O2W 2.92(3) .
Rb2 O6W 2.93(5) .
Rb2 O5T 3.14(3) 7_646
Rb2 O4T 3.13(2) 3_765
Rb2 O3W 3.20(4) 3_765
Rb2 W6 4.103(14) 7_646
K1A O6W 2.58(10) .
K1A O6 3.11(8) 7_646
K1A O2W 2.93(7) .
K1A O4T 3.04(7) 3_765
K1A O3W 2.82(9) 3_765
K1B O5T 2.76(3) 7_646
K1B O6 2.69(3) 7_646
K1B O2W 3.01(3) .
K1B O6W 3.30(6) .
K1B O4T 3.29(3) 3_765
K2A O1W 1.71(3) .
K2A O3T 2.87(3) 3_765
K2A O4W 2.93(5) .
K2A O34 2.93(2) 3_765
K2A O4T 2.97(3) 3_765
K2A O10W 3.17(2) .
K2B O2T 3.06(6) 4_556
K2B O44 3.08(13) 3_765
K2B O23 3.18(11) 4_556
K2B O7W 3.33(17) .
K2B O3W 3.38(14) 6_766
K2B O3W 3.38(14) 3_765
K2C O1W 2.54(5) .
K2C K2D 2.69(5) .
K2C O3T 2.82(4) 3_765
K2C O10W 2.94(5) .
K2C O7W 3.39(6) .
K2C O34 3.42(4) 3_765
K2D K2D 0.74(6) 4_556
K2D O7W 2.50(10) .
K2D O34 2.91(3) 3_765
K2D O33 3.07(4) 3_765
K2D O44 3.15(4) 3_765
K2D O34 3.30(3) 6_766
K2D K2C 3.41(5) 4_556
K3A O2V 2.80(2) 7_646
K3A O15 2.98(2) 7_646
K3A O3V 3.00(2) 7_646
K3A O5T 3.04(2) 7_646
K3A O5W 3.08(6) 2_755
K3A O5W 3.08(6) 8_666
K3B K3B 1.2(2) 7_646
K3B O3V 2.66(8) 7_646
K3B O5T 2.87(7) 7_646
K3B O2V 3.09(8) 7_646
K3B O5W 3.11(9) 8_666
K3B O5W 3.32(10) 2_755
K3B O15 3.34(8) 7_646
O3W O3W 0.86(7) 4_556
O3W Rb2 3.20(4) 2_645
O3W K1A 2.82(9) 2_645
O3W K2B 3.38(14) 2_645
O4W K2A 2.93(5) 8_556
O5W O5W 1.15(10) 9_766
O5W K3A 3.08(6) 3_775
O5W K3B 3.11(9) 8_566
O5W K3B 3.32(10) 3_775
O7W K2D 2.50(10) 4_556
O7W K2C 3.39(6) 4_556
O10W K2C 2.94(5) 7_646
O10W K2A 3.17(2) 7_646
