#------------------------------------------------------------------------------
#$Date: 2017-09-02 01:58:14 +0300 (Sat, 02 Sep 2017) $
#$Revision: 200095 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/63/4126340.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_4126340
loop_
_publ_author_name
'Moussawi, Mhamad Aly'
'Leclerc-Laronze, Nathalie'
'Floquet, Sébastien'
'Abramov, Pavel A.'
'Sokolov, Maxim Nailyevich'
'Cordier, Stephane'
'Ponchel, Anne'
'Monflier, Eric'
'Bricout, Herve'
'Landy, David'
'Haouas, Mohamed'
'Marrot, Jerome'
'Cadot, Emmanuel'
_publ_section_title
;
 Polyoxometalate, Cationic Cluster and γ-Cyclodextrin. From
 Primary Interactions to Supramolecular Hybrid Materials.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/jacs.7b07317
_journal_year                    2017
_chemical_absolute_configuration ad
_chemical_formula_sum            'C144 H310 K1.5 Na0.5 O217 P2 Rb4 W18'
_chemical_formula_weight         9297.17
_space_group_crystal_system      trigonal
_space_group_IT_number           150
_space_group_name_Hall           'P 3 2"'
_space_group_name_H-M_alt        'P 3 2 1'
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   21.1963(4)
_cell_length_b                   21.1963(4)
_cell_length_c                   35.5050(17)
_cell_measurement_reflns_used    9285
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      29.66
_cell_measurement_theta_min      2.50
_cell_volume                     13814.7(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0591
_diffrn_reflns_av_unetI/netI     0.0522
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            168660
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.029
_diffrn_reflns_theta_min         2.219
_diffrn_source                   microsource
_exptl_absorpt_coefficient_mu    8.318
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2014/5
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.235
_exptl_crystal_description       platelet
_exptl_crystal_F_000             8908
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.030
_exptl_transmission_factor_max   0.7452
_exptl_transmission_factor_min   0.3697
_refine_diff_density_max         2.443
_refine_diff_density_min         -1.857
_refine_diff_density_rms         0.235
_refine_ls_abs_structure_details
;
 Flack x determined using 8032 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.015(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1142
_refine_ls_number_reflns         26908
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0778
_refine_ls_R_factor_gt           0.0492
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0768P)²+84.1863P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1282
_refine_ls_wR_factor_ref         0.1456
_reflns_Friedel_coverage         0.860
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.997
_reflns_number_gt                20542
_reflns_number_total             26908
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            nl84_a.cif
_cod_data_source_block           nl84_a
_cod_original_formula_sum        'C144 H310 K1.50 Na0.50 O217 P2 Rb4 W18'
_cod_database_code               4126340
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.189
_shelx_estimated_absorpt_t_max   0.788
_exptl_absorpt_special_details   'Blessing, Acta Cryst. (1995) A51, 33-38'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'-x, -x+y, -z'
'x-y, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
W1 W 0.62195(2) 0.22753(2) 0.11107(2) 0.03736(6) Uani 1 1 d . . .
W2 W 0.50921(2) 0.15898(2) 0.19700(2) 0.02899(5) Uani 1 1 d . . .
W3 W 0.69296(2) 0.18298(2) 0.19583(2) 0.02896(5) Uani 1 1 d . . .
W4 W 0.69277(2) 0.18224(2) 0.30150(2) 0.03140(5) Uani 1 1 d . . .
W5 W 0.50857(2) 0.15873(2) 0.30245(2) 0.03202(6) Uani 1 1 d . . .
W6 W 0.62427(2) 0.22770(2) 0.38744(2) 0.04001(7) Uani 1 1 d . . .
P1 P 0.6667 0.3333 0.19387(5) 0.0151(4) Uani 1 3 d S T P
P2 P 0.6667 0.3333 0.30467(5) 0.0180(4) Uani 1 3 d S T P
O1 O 0.5962(3) 0.1611(2) 0.07811(13) 0.0575(15) Uani 1 1 d . . .
O2 O 0.54420(18) 0.18613(19) 0.14611(11) 0.0345(11) Uani 1 1 d . . .
O3 O 0.5852(2) 0.2855(2) 0.09070(10) 0.0401(11) Uani 1 1 d . . .
O4 O 0.67574(18) 0.20428(18) 0.14610(10) 0.0343(10) Uani 1 1 d . . .
O5 O 0.6667 0.3333 0.14908(15) 0.0336(16) Uani 1 3 d S T P
O6 O 0.4466(2) 0.07043(18) 0.18824(12) 0.0384(12) Uani 1 1 d . . .
O7 O 0.49551(17) 0.15939(18) 0.24939(10) 0.0303(10) Uani 1 1 d . . .
O8 O 0.45207(18) 0.20520(18) 0.18971(11) 0.0340(11) Uani 1 1 d . . .
O9 O 0.59486(17) 0.15463(17) 0.20639(9) 0.0280(9) Uani 1 1 d . . .
O10 O 0.58713(17) 0.28634(17) 0.20636(9) 0.0268(9) Uani 1 1 d . . .
O11 O 0.6886(2) 0.10058(17) 0.18663(12) 0.0389(11) Uani 1 1 d . . .
O12 O 0.70748(17) 0.18611(17) 0.24890(10) 0.0291(9) Uani 1 1 d . . .
O13 O 0.6894(2) 0.1008(2) 0.31014(13) 0.0447(13) Uani 1 1 d . . .
O14 O 0.59391(18) 0.15344(18) 0.29332(11) 0.0341(10) Uani 1 1 d . . .
O15 O 0.6754(2) 0.20276(18) 0.35222(10) 0.0366(11) Uani 1 1 d . . .
O16 O 0.7957(2) 0.24778(19) 0.30905(11) 0.0380(11) Uani 1 1 d . . .
O17 O 0.71329(18) 0.30067(18) 0.29251(10) 0.0321(10) Uani 1 1 d . . .
O18 O 0.4469(2) 0.0712(2) 0.31115(14) 0.0511(15) Uani 1 1 d . . .
O19 O 0.54521(18) 0.1868(2) 0.35306(11) 0.0367(11) Uani 1 1 d . . .
O20 O 0.5986(3) 0.1622(2) 0.42117(11) 0.0565(15) Uani 1 1 d . . .
O21 O 0.5849(2) 0.2840(2) 0.40824(11) 0.0464(13) Uani 1 1 d . . .
O22 O 0.6667 0.3333 0.34986(15) 0.0293(15) Uani 1 3 d S T P
O1A O 0.3208(3) 0.4490(2) 0.34783(14) 0.0606(15) Uani 1 1 d . . .
O2A O 0.4183(3) 0.5387(3) 0.31298(17) 0.082(2) Uani 1 1 d . . .
O3A O 0.2404(3) 0.5177(3) 0.3435(2) 0.133(2) Uani 1 1 d . . .
O4A O 0.2378(2) 0.5244(3) 0.25979(16) 0.0728(16) Uani 1 1 d . . .
O5A O 0.5063(3) 0.5906(4) 0.2508(2) 0.109(3) Uani 1 1 d . . .
C1A C 0.3598(5) 0.5239(4) 0.3365(3) 0.086(3) Uani 1 1 d . . .
C2A C 0.3038(5) 0.5399(4) 0.3188(2) 0.084(3) Uani 1 1 d . . .
C3A C 0.2799(3) 0.5004(3) 0.2806(2) 0.0549(19) Uani 1 1 d . . .
C4A C 0.3492(3) 0.5236(3) 0.25750(18) 0.0415(17) Uani 1 1 d . . .
C5A C 0.3981(3) 0.5000(3) 0.2785(2) 0.058(2) Uani 1 1 d . . .
C6A C 0.4654(4) 0.5150(4) 0.2589(3) 0.069(3) Uani 1 1 d . . .
O1B O 0.32794(19) 0.49004(18) 0.22167(12) 0.0365(11) Uani 1 1 d . . .
O2B O 0.41180(19) 0.52907(19) 0.17359(13) 0.0428(13) Uani 1 1 d . . .
O3B O 0.23873(19) 0.5272(2) 0.18359(15) 0.0531(13) Uani 1 1 d . . .
O4B O 0.2125(2) 0.4413(2) 0.11839(14) 0.0547(14) Uani 1 1 d . . .
O5B O 0.4881(3) 0.5234(3) 0.11172(16) 0.077(2) Uani 1 1 d . . .
C1B C 0.3567(3) 0.5367(3) 0.19122(18) 0.0365(16) Uani 1 1 d . . .
C2B C 0.2955(3) 0.5241(3) 0.1642(2) 0.0431(18) Uani 1 1 d . . .
C3B C 0.2651(3) 0.4489(3) 0.14509(19) 0.0378(16) Uani 1 1 d . . .
C4B C 0.3288(3) 0.4480(2) 0.12540(17) 0.0351(15) Uani 1 1 d . . .
C5B C 0.3883(3) 0.4596(3) 0.15472(19) 0.0386(16) Uani 1 1 d . . .
C6B C 0.4548(3) 0.4633(3) 0.1371(2) 0.056(2) Uani 1 1 d . . .
O1C O 0.3002(2) 0.37733(19) 0.10972(12) 0.0390(12) Uani 1 1 d . . .
O2C O 0.3650(2) 0.3423(2) 0.06977(13) 0.0466(14) Uani 1 1 d . . .
O3C O 0.2052(3) 0.3611(2) 0.05442(15) 0.0776(16) Uani 1 1 d . . .
O4C O 0.1540(2) 0.2136(2) 0.03334(12) 0.0418(12) Uani 1 1 d . . .
O5C O 0.4058(3) 0.2434(3) 0.0439(2) 0.082(2) Uani 1 1 d . . .
C1C C 0.3176(3) 0.3752(3) 0.07179(19) 0.0448(19) Uani 1 1 d . . .
C2C C 0.2521(3) 0.3320(3) 0.04759(17) 0.0433(19) Uani 1 1 d . . .
C3C C 0.2116(3) 0.2511(2) 0.05903(16) 0.0354(15) Uani 1 1 d . . .
C4C C 0.2638(3) 0.2219(2) 0.05984(16) 0.0305(14) Uani 1 1 d . . .
C5C C 0.3300(3) 0.2692(3) 0.08452(17) 0.0366(16) Uani 1 1 d . . .
C6C C 0.3859(3) 0.2476(5) 0.0811(3) 0.0785(18) Uani 1 1 d . . .
O1D O 0.22425(17) 0.14995(16) 0.07709(9) 0.0262(9) Uani 1 1 d . . .
O2D O 0.27207(17) 0.07120(18) 0.07364(10) 0.0320(10) Uani 1 1 d . . .
O3D O 0.09495(16) 0.04430(17) 0.04448(9) 0.0283(9) Uani 1 1 d . . .
O4D O 0.0541(2) -0.0641(2) 0.09938(13) 0.0501(13) Uani 1 1 d . . .
O5D O 0.3195(2) -0.0196(2) 0.10755(16) 0.0620(15) Uani 1 1 d . . .
C1D C 0.2234(2) 0.0912(2) 0.05826(14) 0.0238(12) Uani 1 1 d . . .
C2D C 0.1448(2) 0.0262(2) 0.05967(14) 0.0247(12) Uani 1 1 d . . .
C3D C 0.1250(2) -0.0015(2) 0.09958(15) 0.0285(13) Uani 1 1 d . . .
C4D C 0.1822(2) -0.0199(2) 0.11516(15) 0.0289(13) Uani 1 1 d . . .
C5D C 0.2572(2) 0.0494(3) 0.11243(15) 0.0295(13) Uani 1 1 d . . .
C6D C 0.3196(3) 0.0393(3) 0.1256(2) 0.050(2) Uani 1 1 d . . .
O1E O 0.16250(18) -0.04165(17) 0.15342(10) 0.0329(10) Uani 1 1 d . . .
O2E O 0.2098(2) -0.0993(2) 0.19067(11) 0.0544(11) Uani 1 1 d . . .
O3E O 0.0277(3) -0.1639(2) 0.15441(12) 0.0527(15) Uani 1 1 d . . .
O4E O 0.0019(3) -0.1820(3) 0.23483(14) 0.0614(17) Uani 1 1 d . . .
O5E O 0.3281(3) -0.0231(4) 0.23318(19) 0.086(2) Uani 1 1 d . . .
C1E C 0.1548(3) -0.1114(3) 0.16379(16) 0.0410(15) Uani 1 1 d . . .
C2E C 0.0768(3) -0.1619(3) 0.18006(18) 0.0447(18) Uani 1 1 d . . .
C3E C 0.0696(3) -0.1336(3) 0.21867(15) 0.0437(17) Uani 1 1 d . . .
C4E C 0.1316(3) -0.1245(3) 0.24484(17) 0.0529(17) Uani 1 1 d . . .
C5E C 0.2042(3) -0.0721(3) 0.22613(18) 0.0588(17) Uani 1 1 d D . .
C6E C 0.2682(3) -0.0607(4) 0.2508(2) 0.0785(18) Uani 1 1 d D . .
O1F O 0.1234(3) -0.0945(2) 0.27957(11) 0.0566(14) Uani 1 1 d . . .
O2F O 0.1779(2) -0.1176(3) 0.33143(11) 0.0564(15) Uani 1 1 d . . .
O3F O -0.0064(3) -0.1450(4) 0.31862(16) 0.085(2) Uani 1 1 d . . .
O4F O 0.0504(3) -0.0424(4) 0.37904(15) 0.106(2) Uani 1 1 d . . .
O5F O 0.2783(3) -0.0653(3) 0.39449(17) 0.079(2) Uani 1 1 d . . .
C1F C 0.1120(3) -0.1394(4) 0.31292(17) 0.056(2) Uani 1 1 d . . .
C2F C 0.0593(4) -0.1291(5) 0.3370(2) 0.068(3) Uani 1 1 d . . .
C3F C 0.0948(4) -0.0510(4) 0.35351(17) 0.060(2) Uani 1 1 d . . .
C4F C 0.1631(4) -0.0359(4) 0.37387(19) 0.058(2) Uani 1 1 d . . .
C5F C 0.2151(4) -0.0430(4) 0.3451(2) 0.056(2) Uani 1 1 d . . .
C6F C 0.2880(5) -0.0253(5) 0.3602(2) 0.075(3) Uani 1 1 d . . .
O1G O 0.1962(3) 0.0349(3) 0.38948(14) 0.0698(19) Uani 1 1 d . . .
O2G O 0.2981(3) 0.0981(3) 0.42677(15) 0.0785(18) Uani 1 1 d . . .
O3G O 0.1064(5) 0.0109(5) 0.45282(17) 0.117(4) Uani 1 1 d . . .
O4G O 0.1505(3) 0.1592(4) 0.46277(16) 0.101(3) Uani 1 1 d . . .
O5G O 0.4244(6) 0.2321(6) 0.4529(2) 0.153(5) Uani 1 1 d D . .
C1G C 0.2229(5) 0.0446(5) 0.42604(19) 0.077(3) Uani 1 1 d . . .
C2G C 0.1748(5) 0.0634(5) 0.45164(17) 0.090(4) Uani 1 1 d . . .
C3G C 0.1902(5) 0.1372(5) 0.43802(18) 0.076(3) Uani 1 1 d . . .
C4G C 0.2696(4) 0.1952(4) 0.43719(17) 0.057(2) Uani 1 1 d . . .
C5G C 0.3136(3) 0.1695(4) 0.4127(2) 0.062(2) Uani 1 1 d D . .
C6G C 0.3932(4) 0.2198(5) 0.4157(2) 0.090(3) Uani 1 1 d D . .
O1H O 0.2741(3) 0.2572(3) 0.41952(13) 0.0643(16) Uani 1 1 d . . .
O2H O 0.3769(3) 0.3725(3) 0.42456(15) 0.079(2) Uani 1 1 d . . .
O3H O 0.1865(4) 0.3004(4) 0.4545(2) 0.117(3) Uani 1 1 d . . .
O4H O 0.2134(3) 0.4206(3) 0.40069(19) 0.083(2) Uani 1 1 d . . .
O5H O 0.4851(4) 0.5013(5) 0.3889(3) 0.175(5) Uani 1 1 d . . .
C1H C 0.3034(5) 0.3213(5) 0.4412(2) 0.076(3) Uani 1 1 d . . .
C2H C 0.2569(5) 0.3538(5) 0.4420(3) 0.086(3) Uani 1 1 d . . .
C3H C 0.2532(4) 0.3818(4) 0.4010(2) 0.070(2) Uani 1 1 d . . .
C4H C 0.3268(4) 0.4310(4) 0.38604(19) 0.068(2) Uani 1 1 d . . .
C5H C 0.3706(4) 0.3922(4) 0.3861(2) 0.071(2) Uani 1 1 d . . .
C6H C 0.4489(5) 0.4365(5) 0.3687(3) 0.087(3) Uani 1 1 d . . .
Rb1 Rb 0.55872(3) 0.64651(3) 0.16677(2) 0.0549(2) Uani 1 1 d . . .
K1 K 0.0000 0.0000 0.5000 0.0888(18) Uani 1 6 d S T P
Na1 Na 0.0000 0.0000 0.0000 0.0215(10) Uani 1 6 d S T P
O1W O -0.0096(4) -0.3154(3) 0.2513(2) 0.093(3) Uani 1 1 d . . .
O2W O 0.6667 0.3333 0.0099(3) 0.155(7) Uani 1 3 d S T P
O3W O 0.0592(3) 0.3122(4) 0.02528(18) 0.091(2) Uani 1 1 d . . .
O4W O 0.1884(4) 0.5476(4) 0.0911(2) 0.114(3) Uani 1 1 d . . .
O5W O -0.1009(4) -0.2798(3) 0.1738(2) 0.101(3) Uani 1 1 d . . .
O6W O 0.0000 0.0000 0.1731(3) 0.106(5) Uani 1 3 d S T P
O7W O 0.3196(4) 0.1178(5) 0.2359(3) 0.140(4) Uani 1 1 d . . .
O8W O 0.1361(5) 0.4383(6) -0.0179(3) 0.073(2) Uani 0.5 1 d . . P
O9W O 0.5758(5) 0.1983(6) -0.0147(3) 0.064(3) Uani 0.5 1 d . . P
O10W O 0.6014(5) 0.0824(6) 0.0117(3) 0.073(2) Uani 0.5 1 d . . P
O11W O 0.3333 0.6667 0.0919(6) 0.072(6) Uani 0.5 3 d S T P
O12W O 0.5985(6) 0.5655(6) 0.0581(3) 0.076(4) Uani 0.5 1 d . . P
O13W O 0.3333 0.6667 0.3907(8) 0.108(10) Uani 0.5 3 d S T P
O14W O 0.2813(4) 0.1383(6) 0.3049(2) 0.053(3) Uani 0.5 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'
O O 0.0106 0.0060 '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'
W W -0.8490 6.8722 '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'
K K 0.2009 0.2494 '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'
H H 0.0000 0.0000 '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 O2 102.97(18) . .
O1 W1 O3 102.1(2) . .
O2 W1 O3 90.37(18) . .
O1 W1 O4 102.7(2) . .
O2 W1 O4 86.91(17) . .
O3 W1 O4 155.04(15) . .
O1 W1 O3 100.20(19) . 2_655
O2 W1 O3 156.81(16) . 2_655
O3 W1 O3 85.8(2) . 2_655
O4 W1 O3 86.97(14) . 2_655
O1 W1 O5 170.93(18) . .
O2 W1 O5 84.72(14) . .
O3 W1 O5 72.76(13) . .
O4 W1 O5 82.28(13) . .
O3 W1 O5 72.29(15) 2_655 .
O6 W2 O7 98.55(17) . .
O6 W2 O9 102.54(19) . .
O7 W2 O9 88.86(16) . .
O6 W2 O8 101.26(18) . .
O7 W2 O8 89.58(18) . .
O9 W2 O8 156.12(13) . .
O6 W2 O2 97.45(17) . .
O7 W2 O2 163.97(13) . .
O9 W2 O2 86.81(16) . .
O8 W2 O2 88.17(18) . .
O6 W2 O10 173.47(19) . .
O7 W2 O10 82.99(12) . .
O9 W2 O10 83.80(13) . .
O8 W2 O10 72.36(13) . .
O2 W2 O10 81.21(13) . .
O11 W3 O9 102.80(16) . .
O11 W3 O8 99.51(17) . 2_655
O9 W3 O8 157.68(16) . 2_655
O11 W3 O4 98.32(19) . .
O9 W3 O4 87.05(15) . .
O8 W3 O4 90.53(15) 2_655 .
O11 W3 O12 98.48(18) . .
O9 W3 O12 87.00(15) . .
O8 W3 O12 88.97(15) 2_655 .
O4 W3 O12 163.04(17) . .
O11 W3 O10 173.10(14) . 2_655
O9 W3 O10 84.09(13) . 2_655
O8 W3 O10 73.61(14) 2_655 2_655
O4 W3 O10 81.43(14) . 2_655
O12 W3 O10 82.17(14) . 2_655
O13 W4 O14 102.72(18) . .
O13 W4 O12 98.23(19) . .
O14 W4 O12 89.68(16) . .
O13 W4 O16 99.37(19) . .
O14 W4 O16 157.70(18) . .
O12 W4 O16 90.20(14) . .
O13 W4 O15 98.2(2) . .
O14 W4 O15 84.86(17) . .
O12 W4 O15 163.45(17) . .
O16 W4 O15 89.01(16) . .
O13 W4 O17 172.46(16) . .
O14 W4 O17 84.67(15) . .
O12 W4 O17 83.15(14) . .
O16 W4 O17 73.18(16) . .
O15 W4 O17 80.79(15) . .
O18 W5 O16 101.5(2) . 3_665
O18 W5 O14 101.8(2) . .
O16 W5 O14 156.59(17) 3_665 .
O18 W5 O7 98.88(19) . .
O16 W5 O7 89.28(18) 3_665 .
O14 W5 O7 88.73(17) . .
O18 W5 O19 98.0(2) . .
O16 W5 O19 89.27(19) 3_665 .
O14 W5 O19 85.89(17) . .
O7 W5 O19 162.96(13) . .
O18 W5 O17 174.0(2) . 3_665
O16 W5 O17 72.59(16) 3_665 3_665
O14 W5 O17 84.03(14) . 3_665
O7 W5 O17 82.39(13) . 3_665
O19 W5 O17 80.98(14) . 3_665
O20 W6 O15 103.4(2) . .
O20 W6 O19 103.30(18) . .
O15 W6 O19 86.86(17) . .
O20 W6 O21 100.1(2) . .
O15 W6 O21 156.54(17) . .
O19 W6 O21 88.43(19) . .
O20 W6 O21 99.7(2) . 2_655
O15 W6 O21 89.43(15) . 2_655
O19 W6 O21 156.90(18) . 2_655
O21 W6 O21 86.0(2) . 2_655
O20 W6 O22 169.68(19) . .
O15 W6 O22 83.81(14) . .
O19 W6 O22 84.30(14) . .
O21 W6 O22 72.85(14) . .
O21 W6 O22 72.63(16) 2_655 .
O10 P1 O10 112.00(12) 2_655 3_665
O10 P1 O10 112.00(12) 2_655 .
O10 P1 O10 112.00(12) 3_665 .
O10 P1 O5 106.81(14) 2_655 .
O10 P1 O5 106.81(14) 3_665 .
O10 P1 O5 106.81(14) . .
O17 P2 O17 112.33(14) . 3_665
O17 P2 O17 112.33(14) . 2_655
O17 P2 O17 112.33(14) 3_665 2_655
O17 P2 O22 106.44(15) . .
O17 P2 O22 106.44(15) 3_665 .
O17 P2 O22 106.44(15) 2_655 .
W1 O2 W2 150.4(2) . .
W1 O3 W1 124.14(19) . 3_665
W3 O4 W1 151.1(2) . .
P1 O5 W1 124.69(11) . 2_655
P1 O5 W1 124.69(11) . .
W1 O5 W1 90.82(15) 2_655 .
P1 O5 W1 124.69(11) . 3_665
W1 O5 W1 90.81(15) 2_655 3_665
W1 O5 W1 90.81(15) . 3_665
W2 O6 Rb1 171.5(2) . 2_655
W2 O7 W5 162.4(2) . .
W3 O8 W2 123.19(17) 3_665 .
W3 O9 W2 151.5(2) . .
P1 O10 W3 128.1(2) . 3_665
P1 O10 W2 127.6(2) . .
W3 O10 W2 90.79(10) 3_665 .
W4 O12 W3 163.0(2) . .
W4 O14 W5 153.1(2) . .
W6 O15 W4 151.5(3) . .
W5 O16 W4 123.6(2) 2_655 .
P2 O17 W4 129.18(17) . .
P2 O17 W5 127.62(18) . 2_655
W4 O17 W5 90.53(15) . 2_655
W6 O19 W5 150.2(2) . .
W6 O21 W6 123.3(2) . 3_665
P2 O22 W6 124.36(11) . 2_655
P2 O22 W6 124.36(11) . .
W6 O22 W6 91.27(15) 2_655 .
P2 O22 W6 124.36(11) . 3_665
W6 O22 W6 91.27(15) 2_655 3_665
W6 O22 W6 91.27(15) . 3_665
C4H O1A C1A 118.8(5) . .
C1A O2A C5A 114.2(5) . .
C6A O5A Rb1 120.7(6) . .
O2A C1A O1A 111.9(8) . .
O2A C1A C2A 113.9(7) . .
O1A C1A C2A 106.3(6) . .
O3A C2A C1A 111.7(7) . .
O3A C2A C3A 110.6(6) . .
C1A C2A C3A 109.0(8) . .
O4A C3A C4A 106.1(6) . .
O4A C3A C2A 110.7(7) . .
C4A C3A C2A 107.1(5) . .
O1B C4A C3A 107.8(4) . .
O1B C4A C5A 111.4(6) . .
C3A C4A C5A 109.1(6) . .
O2A C5A C6A 107.7(6) . .
O2A C5A C4A 106.6(6) . .
C6A C5A C4A 115.8(7) . .
O5A C6A C5A 108.7(8) . .
C1B O1B C4A 115.2(4) . .
C1B O2B C5B 115.9(4) . .
C1B O2B Rb1 122.9(3) . .
C5B O2B Rb1 120.8(3) . .
C2B O3B Rb1 125.3(3) . 3_565
C3B O4B Rb1 104.4(4) . 3_565
C6B O5B Rb1 100.1(4) . .
O1B C1B O2B 111.1(5) . .
O1B C1B C2B 109.5(4) . .
O2B C1B C2B 112.5(5) . .
O3B C2B C1B 110.6(5) . .
O3B C2B C3B 109.6(4) . .
C1B C2B C3B 109.7(6) . .
O4B C3B C4B 110.1(5) . .
O4B C3B C2B 108.2(5) . .
C4B C3B C2B 107.3(4) . .
O1C C4B C3B 106.2(4) . .
O1C C4B C5B 108.3(5) . .
C3B C4B C5B 110.1(5) . .
O2B C5B C6B 107.4(4) . .
O2B C5B C4B 107.9(5) . .
C6B C5B C4B 113.1(6) . .
O5B C6B C5B 110.1(7) . .
O5B C6B Rb1 56.5(3) . .
C5B C6B Rb1 89.3(4) . .
C1C O1C C4B 115.5(4) . .
C5C O2C C1C 112.5(4) . .
O1C C1C O2C 108.2(5) . .
O1C C1C C2C 113.2(5) . .
O2C C1C C2C 108.9(5) . .
O3C C2C C1C 105.8(5) . .
O3C C2C C3C 108.3(5) . .
C1C C2C C3C 111.2(5) . .
O4C C3C C4C 112.6(5) . .
O4C C3C C2C 107.6(5) . .
C4C C3C C2C 110.2(5) . .
O1D C4C C3C 106.3(4) . .
O1D C4C C5C 107.8(4) . .
C3C C4C C5C 111.2(5) . .
O2C C5C C6C 104.1(5) . .
O2C C5C C4C 107.9(5) . .
C6C C5C C4C 111.4(6) . .
O5C C6C C5C 114.4(7) . .
C1D O1D C4C 118.2(4) . .
C1D O2D C5D 113.1(4) . .
C2D O3D Na1 139.6(3) . .
C6D O5D Rb1 103.1(4) . 2_655
O1D C1D O2D 113.4(4) . .
O1D C1D C2D 107.8(4) . .
O2D C1D C2D 110.1(4) . .
O3D C2D C3D 111.5(4) . .
O3D C2D C1D 111.6(4) . .
C3D C2D C1D 110.1(4) . .
O4D C3D C2D 108.4(4) . .
O4D C3D C4D 111.3(4) . .
C2D C3D C4D 109.4(4) . .
O1E C4D C5D 111.4(4) . .
O1E C4D C3D 106.4(4) . .
C5D C4D C3D 107.6(4) . .
O2D C5D C6D 105.9(5) . .
O2D C5D C4D 108.9(4) . .
C6D C5D C4D 113.8(5) . .
O5D C6D C5D 111.9(5) . .
O5D C6D Rb1 53.5(3) . 2_655
C5D C6D Rb1 141.3(3) . 2_655
C4D O1E C1E 115.8(4) . .
C5E O2E C1E 116.1(5) . .
C5E O2E Rb1 120.0(3) . 2_655
C1E O2E Rb1 121.4(3) . 2_655
C6E O5E Rb1 117.6(5) . 2_655
O2E C1E O1E 108.8(4) . .
O2E C1E C2E 111.4(5) . .
O1E C1E C2E 109.5(5) . .
O3E C2E C3E 112.6(6) . .
O3E C2E C1E 107.6(5) . .
C3E C2E C1E 109.9(4) . .
O4E C3E C2E 110.1(4) . .
O4E C3E C4E 110.0(5) . .
C2E C3E C4E 110.0(6) . .
O1F C4E C5E 110.7(5) . .
O1F C4E C3E 106.7(6) . .
C5E C4E C3E 108.4(5) . .
O2E C5E C4E 110.5(4) . .
O2E C5E C6E 109.0(6) . .
C4E C5E C6E 110.9(5) . .
O5E C6E C5E 110.2(7) . .
O5E C6E Rb1 44.5(4) . 2_655
C5E C6E Rb1 88.7(4) . 2_655
C4E O1F C1F 115.1(6) . .
C1F O2F C5F 115.3(7) . .
O2F C1F O1F 110.7(5) . .
O2F C1F C2F 112.1(5) . .
O1F C1F C2F 104.9(7) . .
O3F C2F C1F 114.6(6) . .
O3F C2F C3F 108.8(8) . .
C1F C2F C3F 111.7(5) . .
O4F C3F C4F 107.7(6) . .
O4F C3F C2F 113.0(5) . .
C4F C3F C2F 108.0(7) . .
O1G C4F C3F 109.1(7) . .
O1G C4F C5F 111.0(5) . .
C3F C4F C5F 108.5(6) . .
O2F C5F C6F 109.0(8) . .
O2F C5F C4F 107.3(5) . .
C6F C5F C4F 115.6(6) . .
O5F C6F C5F 109.2(6) . .
C1G O1G C4F 118.1(7) . .
C1G O2G C5G 113.6(7) . .
C2G O3G K1 127.4(7) . .
O1G C1G O2G 110.2(6) . .
O1G C1G C2G 108.2(9) . .
O2G C1G C2G 113.6(7) . .
O3G C2G C3G 117.6(10) . .
O3G C2G C1G 112.8(8) . .
C3G C2G C1G 104.4(6) . .
O4G C3G C4G 110.0(7) . .
O4G C3G C2G 106.3(6) . .
C4G C3G C2G 115.1(9) . .
O1H C4G C3G 107.1(7) . .
O1H C4G C5G 107.6(5) . .
C3G C4G C5G 110.2(6) . .
O2G C5G C6G 107.8(7) . .
O2G C5G C4G 107.7(5) . .
C6G C5G C4G 111.9(6) . .
O5G C6G C5G 116.8(7) . .
C1H O1H C4G 116.5(6) . .
C5H O2H C1H 111.5(6) . .
O1H C1H C2H 113.0(7) . .
O1H C1H O2H 106.4(7) . .
C2H C1H O2H 111.5(8) . .
O3H C2H C1H 108.6(8) . .
O3H C2H C3H 110.8(8) . .
C1H C2H C3H 109.2(8) . .
O4H C3H C4H 107.9(7) . .
O4H C3H C2H 111.8(7) . .
C4H C3H C2H 111.2(7) . .
O1A C4H C3H 109.0(6) . .
O1A C4H C5H 107.8(6) . .
C3H C4H C5H 109.5(7) . .
O2H C5H C4H 109.0(7) . .
O2H C5H C6H 108.7(7) . .
C4H C5H C6H 115.3(7) . .
O5H C6H C5H 106.5(9) . .
O5D Rb1 O3B 128.64(14) 3_665 2_665
O5D Rb1 O2B 130.00(14) 3_665 .
O3B Rb1 O2B 73.86(14) 2_665 .
O5D Rb1 O5E 101.92(19) 3_665 3_665
O3B Rb1 O5E 105.08(17) 2_665 3_665
O2B Rb1 O5E 114.82(17) . 3_665
O5D Rb1 O5B 73.92(14) 3_665 .
O3B Rb1 O5B 113.44(17) 2_665 .
O2B Rb1 O5B 56.31(14) . .
O5E Rb1 O5B 133.29(18) 3_665 .
O5D Rb1 O6 79.21(12) 3_665 3_665
O3B Rb1 O6 151.33(14) 2_665 3_665
O2B Rb1 O6 93.70(13) . 3_665
O5E Rb1 O6 56.19(13) 3_665 3_665
O5B Rb1 O6 77.74(16) . 3_665
O5D Rb1 O2E 75.52(13) 3_665 3_665
O3B Rb1 O2E 87.04(13) 2_665 3_665
O2B Rb1 O2E 154.23(13) . 3_665
O5E Rb1 O2E 53.15(14) 3_665 3_665
O5B Rb1 O2E 149.41(13) . 3_665
O6 Rb1 O2E 95.20(11) 3_665 3_665
O5D Rb1 O4B 72.77(11) 3_665 2_665
O3B Rb1 O4B 55.90(13) 2_665 2_665
O2B Rb1 O4B 108.61(13) . 2_665
O5E Rb1 O4B 124.17(14) 3_665 2_665
O5B Rb1 O4B 99.54(16) . 2_665
O6 Rb1 O4B 151.38(12) 3_665 2_665
O2E Rb1 O4B 72.51(12) 3_665 2_665
O5D Rb1 O5A 149.77(18) 3_665 .
O3B Rb1 O5A 78.22(19) 2_665 .
O2B Rb1 O5A 64.76(14) . .
O5E Rb1 O5A 52.15(18) 3_665 .
O5B Rb1 O5A 110.88(16) . .
O6 Rb1 O5A 73.11(18) 3_665 .
O2E Rb1 O5A 94.92(13) 3_665 .
O4B Rb1 O5A 132.35(18) 2_665 .
O5D Rb1 C6D 23.39(16) 3_665 3_665
O3B Rb1 C6D 142.79(14) 2_665 3_665
O2B Rb1 C6D 138.70(14) . 3_665
O5E Rb1 C6D 79.3(2) 3_665 3_665
O5B Rb1 C6D 85.19(16) . 3_665
O6 Rb1 C6D 60.91(13) 3_665 3_665
O2E Rb1 C6D 65.80(13) 3_665 3_665
O4B Rb1 C6D 90.53(12) 2_665 3_665
O5A Rb1 C6D 126.72(18) . 3_665
O5D Rb1 O4W 80.51(17) 3_665 2_665
O3B Rb1 O4W 67.51(17) 2_665 2_665
O2B Rb1 O4W 68.30(18) . 2_665
O5E Rb1 O4W 171.34(19) 3_665 2_665
O5B Rb1 O4W 55.3(2) . 2_665
O6 Rb1 O4W 132.41(18) 3_665 2_665
O2E Rb1 O4W 120.41(18) 3_665 2_665
O4B Rb1 O4W 48.32(19) 2_665 2_665
O5A Rb1 O4W 127.63(18) . 2_665
C6D Rb1 O4W 103.73(17) 3_665 2_665
O5D Rb1 C6B 92.02(15) 3_665 .
O3B Rb1 C6B 113.38(16) 2_665 .
O2B Rb1 C6B 42.31(15) . .
O5E Rb1 C6B 115.83(17) 3_665 .
O5B Rb1 C6B 23.40(17) . .
O6 Rb1 C6B 66.09(16) 3_665 .
O2E Rb1 C6B 159.49(15) 3_665 .
O4B Rb1 C6B 119.83(16) 2_665 .
O5A Rb1 C6B 87.75(18) . .
C6D Rb1 C6B 96.40(16) 3_665 .
O4W Rb1 C6B 72.1(2) 2_665 .
O3G K1 O3G 141.6(4) 3 4_556
O3G K1 O3G 125.7(3) 3 6_556
O3G K1 O3G 86.2(2) 4_556 6_556
O3G K1 O3G 76.5(4) 3 5_556
O3G K1 O3G 86.2(2) 4_556 5_556
O3G K1 O3G 86.2(2) 6_556 5_556
O3G K1 O3G 86.2(2) 3 2
O3G K1 O3G 76.5(4) 4_556 2
O3G K1 O3G 141.6(4) 6_556 2
O3G K1 O3G 125.7(3) 5_556 2
O3G K1 O3G 86.2(2) 3 .
O3G K1 O3G 125.7(3) 4_556 .
O3G K1 O3G 76.5(4) 6_556 .
O3G K1 O3G 141.6(4) 5_556 .
O3G K1 O3G 86.2(2) 2 .
O3D Na1 O3D 176.72(19) . 5
O3D Na1 O3D 79.88(12) . 2
O3D Na1 O3D 102.32(15) 5 2
O3D Na1 O3D 98.04(19) . 6
O3D Na1 O3D 79.87(12) 5 6
O3D Na1 O3D 176.72(19) 2 6
O3D Na1 O3D 102.32(15) . 4
O3D Na1 O3D 79.87(12) 5 4
O3D Na1 O3D 98.04(19) 2 4
O3D Na1 O3D 79.87(12) 6 4
O3D Na1 O3D 79.87(12) . 3
O3D Na1 O3D 98.04(19) 5 3
O3D Na1 O3D 79.87(12) 2 3
O3D Na1 O3D 102.32(15) 6 3
O3D Na1 O3D 176.72(19) 4 3
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O1 1.697(5) .
W1 O2 1.894(4) .
W1 O3 1.896(5) .
W1 O4 1.911(4) .
W1 O3 1.926(4) 2_655
W1 O5 2.371(3) .
W2 O6 1.700(3) .
W2 O7 1.884(4) .
W2 O9 1.893(4) .
W2 O8 1.918(4) .
W2 O2 1.928(4) .
W2 O10 2.381(3) .
W3 O11 1.734(4) .
W3 O9 1.891(3) .
W3 O8 1.902(4) 2_655
W3 O4 1.902(4) .
W3 O12 1.905(4) .
W3 O10 2.339(4) 2_655
W4 O13 1.719(5) .
W4 O14 1.889(4) .
W4 O12 1.888(4) .
W4 O16 1.931(3) .
W4 O15 1.931(4) .
W4 O17 2.345(4) .
W5 O18 1.679(4) .
W5 O16 1.892(4) 3_665
W5 O14 1.895(4) .
W5 O7 1.905(4) .
W5 O19 1.930(4) .
W5 O17 2.396(4) 3_665
W6 O20 1.704(4) .
W6 O15 1.895(4) .
W6 O19 1.897(4) .
W6 O21 1.914(5) .
W6 O21 1.928(5) 2_655
W6 O22 2.364(3) .
P1 O10 1.534(3) 2_655
P1 O10 1.534(3) 3_665
P1 O10 1.534(3) .
P1 O5 1.590(6) .
P2 O17 1.525(4) .
P2 O17 1.525(4) 3_665
P2 O17 1.525(4) 2_655
P2 O22 1.604(6) .
O3 W1 1.926(4) 3_665
O5 W1 2.371(3) 2_655
O5 W1 2.372(3) 3_665
O6 Rb1 3.018(3) 2_655
O8 W3 1.902(4) 3_665
O10 W3 2.339(4) 3_665
O16 W5 1.892(4) 2_655
O17 W5 2.396(4) 2_655
O21 W6 1.928(5) 3_665
O22 W6 2.364(3) 2_655
O22 W6 2.364(3) 3_665
O1A C4H 1.432(9) .
O1A C1A 1.433(8) .
O2A C1A 1.396(12) .
O2A C5A 1.417(10) .
O3A C2A 1.474(11) .
O4A C3A 1.435(10) .
O5A C6A 1.417(10) .
O5A Rb1 3.199(8) .
C1A C2A 1.524(15) .
C2A C3A 1.539(11) .
C3A C4A 1.532(9) .
C4A O1B 1.417(7) .
C4A C5A 1.550(11) .
C5A C6A 1.471(11) .
O1B C1B 1.384(7) .
O2B C1B 1.404(8) .
O2B C5B 1.461(7) .
O2B Rb1 2.864(3) .
O3B C2B 1.417(9) .
O3B Rb1 2.843(4) 3_565
O4B C3B 1.409(8) .
O4B Rb1 3.153(5) 3_565
O5B C6B 1.425(9) .
O5B Rb1 2.993(6) .
C1B C2B 1.525(9) .
C2B C3B 1.544(8) .
C3B C4B 1.530(9) .
C4B O1C 1.418(6) .
C4B C5B 1.557(9) .
C5B C6B 1.507(10) .
C6B Rb1 3.533(6) .
O1C C1C 1.402(8) .
O2C C5C 1.442(7) .
O2C C1C 1.483(10) .
O3C C2C 1.427(10) .
O4C C3C 1.408(6) .
O5C C6C 1.402(11) .
C1C C2C 1.494(8) .
C2C C3C 1.539(7) .
C3C C4C 1.517(9) .
C4C O1D 1.457(5) .
C4C C5C 1.527(7) .
C5C C6C 1.473(12) .
O1D C1D 1.405(6) .
O2D C1D 1.407(7) .
O2D C5D 1.437(6) .
O3D C2D 1.401(7) .
O3D Na1 2.353(3) .
O4D C3D 1.423(5) .
O5D C6D 1.403(9) .
O5D Rb1 2.841(6) 2_655
C1D C2D 1.543(5) .
C2D C3D 1.511(7) .
C3D C4D 1.548(8) .
C4D O1E 1.428(6) .
C4D C5D 1.536(5) .
C5D C6D 1.516(9) .
C6D Rb1 3.441(8) 2_655
O1E C1E 1.451(7) .
O2E C5E 1.415(8) .
O2E C1E 1.428(7) .
O2E Rb1 3.051(4) 2_655
O3E C2E 1.368(9) .
O4E C3E 1.404(7) .
O5E C6E 1.276(8) .
O5E Rb1 2.910(8) 2_655
C1E C2E 1.563(8) .
C2E C3E 1.535(9) .
C3E C4E 1.541(9) .
C4E O1F 1.438(8) .
C4E C5E 1.527(8) .
C5E C6E 1.528(9) .
C6E Rb1 3.680(8) 2_655
O1F C1F 1.462(8) .
O2F C1F 1.396(8) .
O2F C5F 1.452(8) .
O3F C2F 1.417(10) .
O4F C3F 1.381(10) .
O5F C6F 1.441(11) .
C1F C2F 1.507(12) .
C2F C3F 1.552(11) .
C3F C4F 1.504(11) .
C4F O1G 1.414(9) .
C4F C5F 1.564(12) .
C5F C6F 1.494(12) .
O1G C1G 1.390(9) .
O2G C1G 1.421(10) .
O2G C5G 1.467(10) .
O3G C2G 1.315(11) .
O3G K1 2.725(9) .
O4G C3G 1.446(12) .
O5G C6G 1.443(11) .
C1G C2G 1.559(16) .
C2G C3G 1.509(14) .
C3G C4G 1.508(10) .
C4G O1H 1.417(10) .
C4G C5G 1.558(12) .
C5G C6G 1.481(9) .
O1H C1H 1.405(10) .
O2H C5H 1.454(10) .
O2H C1H 1.503(9) .
O3H C2H 1.419(11) .
O4H C3H 1.444(12) .
O5H C6H 1.391(14) .
C1H C2H 1.459(17) .
C2H C3H 1.589(13) .
C3H C4H 1.475(10) .
C4H C5H 1.516(14) .
C5H C6H 1.569(12) .
Rb1 O5D 2.841(6) 3_665
Rb1 O3B 2.843(4) 2_665
Rb1 O5E 2.910(8) 3_665
Rb1 O6 3.017(3) 3_665
Rb1 O2E 3.050(4) 3_665
Rb1 O4B 3.153(5) 2_665
Rb1 C6D 3.441(8) 3_665
Rb1 O4W 3.471(8) 2_665
K1 O3G 2.725(9) 3
K1 O3G 2.725(9) 4_556
K1 O3G 2.725(9) 6_556
K1 O3G 2.725(9) 5_556
K1 O3G 2.725(9) 2
Na1 O3D 2.353(3) 5
Na1 O3D 2.353(3) 2
Na1 O3D 2.353(3) 6
Na1 O3D 2.353(3) 4
Na1 O3D 2.353(3) 3
O4W Rb1 3.471(8) 3_565
