# Supplementary Information (SI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_KRB5
_audit_block_doi                 10.5517/ccdc.csd.cc2h7b25
_database_code_depnum_ccdc_archive 'CCDC 2300946'
loop_
_audit_author_name
_audit_author_address
'Ahmetjan Ababekri'
;university of chinese academy of science
China
;
_audit_update_record             
;
2024-02-28 deposited with the CCDC.	2024-11-05 downloaded from the CCDC.
;
_audit_creation_date             2024-02-27
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'B5 H K O9 Rb'
_chemical_formula_sum            'B5 H K O9 Rb'
_chemical_formula_weight         323.63
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 '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'
K K 0.2009 0.2494 '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'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, z+1/2'

_cell_length_a                   8.5736(13)
_cell_length_b                   7.5326(12)
_cell_length_c                   13.072(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     844.2(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2652
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      25.291
_cell_measurement_theta_min      2.704
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.385
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6063
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.546
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             616
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0776
_diffrn_reflns_av_unetI/netI     0.0824
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5715
_diffrn_reflns_point_group_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.376
_diffrn_reflns_theta_min         2.704
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.858
_reflns_Friedel_fraction_full    0.950
_reflns_Friedel_fraction_max     0.948
_reflns_number_gt                1404
_reflns_number_total             1505
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.663
_refine_diff_density_min         -0.439
_refine_diff_density_rms         0.117
_refine_ls_abs_structure_details 
;
 Flack x determined using 573 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.002(18)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     148
_refine_ls_number_reflns         1505
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.0427
_refine_ls_R_factor_gt           0.0394
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0197P)²+0.0402P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0873
_refine_ls_wR_factor_ref         0.0896
_refine_special_details          ?
_olex2_refinement_description    
;
1. Shared sites
{K, Rb1}
{K1, Rb2}
2. Restrained distances
 H8-O8
 0.95 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(B5) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(K) = Uanis(Rb1)
Uanis(Rb1) = Uanis(K)
Uanis(K1) = Uanis(Rb2)
4. Others
 Fixed Sof: K1(0.5) Rb1(0.5) K(0.5) Rb2(0.5)
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
_atom_site_disorder_assembly
_atom_site_disorder_group
K1 K 0.30576(12) 0.36599(13) 0.34031(9) 0.0207(3) Uani 0.5 1 d . . P A 5
Rb1 Rb 0.15410(14) 1.07894(19) 0.57266(10) 0.0300(3) Uani 0.5 1 d . . P A 4
O1 O 0.2705(7) 0.6989(9) 0.4242(5) 0.0230(14) Uani 1 1 d . . . . .
O2 O 0.4856(7) 0.8749(8) 0.3654(4) 0.0195(14) Uani 1 1 d . . . . .
O3 O 0.7267(7) 1.0025(8) 0.3640(4) 0.0215(14) Uani 1 1 d . . . . .
O4 O 0.2045(7) 0.7624(8) 0.7470(4) 0.0188(13) Uani 1 1 d . . . . .
O5 O 0.5322(7) 1.1221(8) 0.2523(5) 0.0179(13) Uani 1 1 d . . . . .
O6 O 0.3476(6) 0.7969(8) 0.5921(4) 0.0170(12) Uani 1 1 d . . . . .
O7 O 0.4278(7) 0.5718(8) 0.7105(5) 0.0226(14) Uani 1 1 d . . . . .
O8 O 0.4460(8) 0.2774(9) 0.6436(6) 0.0305(15) Uani 1 1 d D . . . .
O9 O 0.3142(7) 0.4908(9) 0.5518(5) 0.0261(15) Uani 1 1 d . . . . .
B1 B 0.5786(10) 1.0004(12) 0.3250(7) 0.018(2) Uani 1 1 d . . . . .
B2 B 0.3977(13) 0.4498(14) 0.6380(8) 0.021(2) Uani 1 1 d . . . . .
B3 B 0.3570(11) 0.7525(12) 0.7028(8) 0.017(2) Uani 1 1 d . . . . .
B4 B 0.3097(10) 0.6694(14) 0.5224(8) 0.019(2) Uani 1 1 d . . . . .
B5 B 0.3211(10) 0.8356(11) 0.3479(9) 0.0162(18) Uani 1 1 d . U . . .
K K 0.15410(14) 1.07894(19) 0.57266(10) 0.0300(3) Uani 0.5 1 d . . P A 3
Rb2 Rb 0.30576(12) 0.36599(13) 0.34031(9) 0.0207(3) Uani 0.5 1 d . . P A 6
H8 H 0.521(8) 0.325(12) 0.690(6) 0.025 Uiso 1 1 d D U . B 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
K1 O1 2.753(7) . ?
K1 O2 3.307(6) 3_465 ?
K1 O3 2.874(6) 3_465 ?
K1 O4 3.227(6) 4_554 ?
K1 O5 2.910(6) 1_545 ?
K1 O7 3.048(6) 4_554 ?
K1 O7 2.884(6) 2_664 ?
K1 O8 3.423(8) 4_554 ?
K1 O9 2.921(6) . ?
K1 B1 3.384(9) 3_465 ?
K1 B2 3.230(10) 4_554 ?
K1 B4 3.300(11) . ?
Rb1 O2 3.090(6) 3_475 ?
Rb1 O3 2.865(6) 3_475 ?
Rb1 O4 3.326(6) . ?
Rb1 O5 2.858(6) 4 ?
Rb1 O6 2.708(6) . ?
Rb1 O6 2.801(5) 3_475 ?
Rb1 O8 3.354(7) 3_465 ?
Rb1 O8 3.059(7) 1_565 ?
Rb1 O9 3.404(7) 1_565 ?
Rb1 B1 3.355(10) 3_475 ?
Rb1 B3 3.315(10) 3_475 ?
Rb1 B4 3.425(10) . ?
O1 B4 1.346(12) . ?
O1 B5 1.497(12) . ?
O1 Rb2 2.753(7) . ?
O2 K1 3.307(6) 3_565 ?
O2 Rb1 3.090(6) 3_575 ?
O2 B1 1.345(10) . ?
O2 B5 1.458(10) . ?
O2 K 3.090(6) 3_575 ?
O2 Rb2 3.307(6) 3_565 ?
O3 K1 2.874(6) 3_565 ?
O3 Rb1 2.865(6) 3_575 ?
O3 B1 1.369(12) . ?
O3 B5 1.479(10) 3_575 ?
O3 K 2.865(6) 3_575 ?
O3 Rb2 2.874(6) 3_565 ?
O4 K1 3.227(6) 4 ?
O4 B3 1.432(11) . ?
O4 B5 1.447(13) 4 ?
O4 K 3.326(6) . ?
O4 Rb2 3.227(6) 4 ?
O5 K1 2.910(6) 1_565 ?
O5 Rb1 2.858(6) 4_554 ?
O5 B1 1.379(11) . ?
O5 B3 1.488(11) 2_674 ?
O5 K 2.858(6) 4_554 ?
O5 Rb2 2.910(6) 1_565 ?
O6 Rb1 2.801(5) 3_575 ?
O6 B3 1.487(11) . ?
O6 B4 1.363(12) . ?
O6 K 2.801(5) 3_575 ?
O6 K 2.708(6) . ?
O7 K1 3.048(6) 4 ?
O7 K1 2.884(6) 2_665 ?
O7 B2 1.344(12) . ?
O7 B3 1.493(10) . ?
O7 Rb2 3.048(6) 4 ?
O7 Rb2 2.884(6) 2_665 ?
O8 K1 3.423(7) 4 ?
O8 Rb1 3.059(7) 1_545 ?
O8 Rb1 3.354(7) 3_565 ?
O8 B2 1.365(12) . ?
O8 K 3.059(7) 1_545 ?
O8 K 3.354(7) 3_565 ?
O8 Rb2 3.423(7) 4 ?
O8 H8 0.95(3) . ?
O9 Rb1 3.404(7) 1_545 ?
O9 B2 1.370(12) . ?
O9 B4 1.399(12) . ?
O9 K 3.404(7) 1_545 ?
O9 Rb2 2.921(6) . ?
B1 K1 3.384(9) 3_565 ?
B1 Rb1 3.355(10) 3_575 ?
B1 K 3.355(10) 3_575 ?
B1 Rb2 3.384(9) 3_565 ?
B1 Rb2 3.619(9) 1_565 ?
B2 K1 3.230(10) 4 ?
B2 Rb1 3.591(11) 1_545 ?
B2 Rb2 3.230(10) 4 ?
B2 H8 1.57(8) . ?
B3 K1 3.519(10) 2_665 ?
B3 Rb1 3.315(10) 3_575 ?
B3 O5 1.488(11) 2_675 ?
B3 K 3.460(10) . ?
B3 K 3.315(10) 3_575 ?
B3 Rb2 3.695(10) 4 ?
B3 Rb2 3.519(10) 2_665 ?
B4 Rb1 3.569(10) 3_575 ?
B4 K 3.425(10) . ?
B4 K 3.569(10) 3_575 ?
B4 Rb2 3.300(11) . ?
B5 O3 1.479(10) 3_475 ?
B5 O4 1.447(13) 4_554 ?
B5 Rb2 3.541(8) . ?
K O2 3.090(6) 3_475 ?
K O3 2.865(6) 3_475 ?
K O5 2.858(6) 4 ?
K O6 2.801(5) 3_475 ?
K O8 3.354(7) 3_465 ?
K O8 3.059(7) 1_565 ?
K O9 3.404(7) 1_565 ?
K B1 3.355(10) 3_475 ?
K B3 3.315(10) 3_475 ?
Rb2 O2 3.307(6) 3_465 ?
Rb2 O3 2.874(6) 3_465 ?
Rb2 O4 3.227(6) 4_554 ?
Rb2 O5 2.910(6) 1_545 ?
Rb2 O7 2.884(6) 2_664 ?
Rb2 O7 3.048(6) 4_554 ?
Rb2 O8 3.423(8) 4_554 ?
Rb2 B1 3.384(9) 3_465 ?
Rb2 B2 3.230(10) 4_554 ?

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
_geom_angle_publ_flag
O1 K1 O2 111.66(16) . 3_465 ?
O1 K1 O3 144.18(18) . 3_465 ?
O1 K1 O4 45.95(16) . 4_554 ?
O1 K1 O5 143.67(18) . 1_545 ?
O1 K1 O7 71.73(18) . 4_554 ?
O1 K1 O7 99.98(18) . 2_664 ?
O1 K1 O8 114.05(17) . 4_554 ?
O1 K1 O9 48.15(18) . . ?
O1 K1 B1 134.68(19) . 3_465 ?
O1 K1 B2 95.1(2) . 4_554 ?
O1 K1 B4 23.5(2) . . ?
O2 K1 O8 56.22(15) 3_465 4_554 ?
O2 K1 B1 23.16(17) 3_465 3_465 ?
O3 K1 O2 42.58(15) 3_465 3_465 ?
O3 K1 O4 158.13(16) 3_465 4_554 ?
O3 K1 O5 65.80(16) 3_465 1_545 ?
O3 K1 O7 114.01(17) 3_465 2_664 ?
O3 K1 O7 113.35(17) 3_465 4_554 ?
O3 K1 O8 75.16(16) 3_465 4_554 ?
O3 K1 O9 102.40(18) 3_465 . ?
O3 K1 B1 23.5(2) 3_465 3_465 ?
O3 K1 B2 98.6(2) 3_465 4_554 ?
O3 K1 B4 126.4(2) 3_465 . ?
O4 K1 O2 121.50(15) 4_554 3_465 ?
O4 K1 O8 83.07(15) 4_554 4_554 ?
O4 K1 B1 135.8(2) 4_554 3_465 ?
O4 K1 B2 59.7(2) 4_554 4_554 ?
O4 K1 B4 68.4(2) 4_554 . ?
O5 K1 O2 104.28(14) 1_545 3_465 ?
O5 K1 O4 116.94(16) 1_545 4_554 ?
O5 K1 O7 122.62(16) 1_545 4_554 ?
O5 K1 O8 90.03(16) 1_545 4_554 ?
O5 K1 O9 124.12(17) 1_545 . ?
O5 K1 B1 81.12(19) 1_545 3_465 ?
O5 K1 B2 99.2(2) 1_545 4_554 ?
O5 K1 B4 135.7(2) 1_545 . ?
O7 K1 O2 143.61(16) 2_664 3_465 ?
O7 K1 O2 77.82(15) 4_554 3_465 ?
O7 K1 O4 69.45(16) 2_664 4_554 ?
O7 K1 O4 45.65(15) 4_554 4_554 ?
O7 K1 O5 48.81(16) 2_664 1_545 ?
O7 K1 O7 96.32(16) 2_664 4_554 ?
O7 K1 O8 42.84(16) 4_554 4_554 ?
O7 K1 O8 95.12(17) 2_664 4_554 ?
O7 K1 O9 119.01(18) 2_664 . ?
O7 K1 B1 123.61(19) 2_664 3_465 ?
O7 K1 B1 90.2(2) 4_554 3_465 ?
O7 K1 B2 85.1(2) 2_664 4_554 ?
O7 K1 B2 24.5(2) 4_554 4_554 ?
O7 K1 B4 93.2(2) 4_554 . ?
O7 K1 B4 107.7(2) 2_664 . ?
O9 K1 O2 95.93(16) . 3_465 ?
O9 K1 O4 93.47(17) . 4_554 ?
O9 K1 O7 112.31(17) . 4_554 ?
O9 K1 O8 142.13(17) . 4_554 ?
O9 K1 B1 109.4(2) . 3_465 ?
O9 K1 B2 136.5(2) . 4_554 ?
O9 K1 B4 25.1(2) . . ?
B1 K1 O8 55.5(2) 3_465 4_554 ?
B2 K1 O2 74.9(2) 4_554 3_465 ?
B2 K1 O8 23.5(2) 4_554 4_554 ?
B2 K1 B1 78.5(2) 4_554 3_465 ?
B2 K1 B4 117.4(2) 4_554 . ?
B4 K1 O2 108.5(2) . 3_465 ?
B4 K1 O8 133.11(19) . 4_554 ?
B4 K1 B1 127.8(2) . 3_465 ?
O2 Rb1 O4 137.92(16) 3_475 . ?
O2 Rb1 O8 94.81(16) 3_475 3_465 ?
O2 Rb1 O9 90.90(15) 3_475 1_565 ?
O2 Rb1 B1 23.63(18) 3_475 3_475 ?
O2 Rb1 B3 92.7(2) 3_475 3_475 ?
O2 Rb1 B4 96.6(2) 3_475 . ?
O3 Rb1 O2 44.83(15) 3_475 3_475 ?
O3 Rb1 O4 118.08(16) 3_475 . ?
O3 Rb1 O8 101.99(18) 3_475 3_465 ?
O3 Rb1 O8 102.45(19) 3_475 1_565 ?
O3 Rb1 O9 91.79(17) 3_475 1_565 ?
O3 Rb1 B1 23.8(2) 3_475 3_475 ?
O3 Rb1 B3 137.5(2) 3_475 3_475 ?
O3 Rb1 B4 62.6(2) 3_475 . ?
O4 Rb1 O8 46.05(16) . 3_465 ?
O4 Rb1 O9 130.98(16) . 1_565 ?
O4 Rb1 B1 123.95(19) . 3_475 ?
O4 Rb1 B4 55.6(2) . . ?
O5 Rb1 O2 116.50(15) 4 3_475 ?
O5 Rb1 O3 158.15(18) 4 3_475 ?
O5 Rb1 O4 65.88(15) 4 . ?
O5 Rb1 O8 98.76(19) 4 1_565 ?
O5 Rb1 O8 64.31(18) 4 3_465 ?
O5 Rb1 O9 100.81(16) 4 1_565 ?
O5 Rb1 B1 134.8(2) 4 3_475 ?
O5 Rb1 B3 26.6(2) 4 3_475 ?
O5 Rb1 B4 118.5(2) 4 . ?
O6 Rb1 O2 66.63(16) 3_475 3_475 ?
O6 Rb1 O2 117.21(17) . 3_475 ?
O6 Rb1 O3 77.77(17) . 3_475 ?
O6 Rb1 O3 111.22(17) 3_475 3_475 ?
O6 Rb1 O4 107.41(16) 3_475 . ?
O6 Rb1 O4 45.06(15) . . ?
O6 Rb1 O5 110.76(17) . 4 ?
O6 Rb1 O5 50.45(17) 3_475 4 ?
O6 Rb1 O6 145.94(15) . 3_475 ?
O6 Rb1 O8 81.59(17) . 1_565 ?
O6 Rb1 O8 75.12(17) 3_475 3_465 ?
O6 Rb1 O8 70.85(17) . 3_465 ?
O6 Rb1 O8 125.22(18) 3_475 1_565 ?
O6 Rb1 O9 118.40(17) . 1_565 ?
O6 Rb1 O9 94.66(16) 3_475 1_565 ?
O6 Rb1 B1 94.0(2) . 3_475 ?
O6 Rb1 B1 88.06(19) 3_475 3_475 ?
O6 Rb1 B3 136.3(2) . 3_475 ?
O6 Rb1 B3 26.5(2) 3_475 3_475 ?
O6 Rb1 B4 21.9(2) . . ?
O6 Rb1 B4 133.1(2) 3_475 . ?
O8 Rb1 O2 126.40(18) 1_565 3_475 ?
O8 Rb1 O4 92.07(17) 1_565 . ?
O8 Rb1 O8 137.9(2) 1_565 3_465 ?
O8 Rb1 O9 41.31(15) 1_565 1_565 ?
O8 Rb1 O9 165.07(18) 3_465 1_565 ?
O8 Rb1 B1 91.2(2) 3_465 3_475 ?
O8 Rb1 B1 122.5(2) 1_565 3_475 ?
O8 Rb1 B3 106.6(2) 1_565 3_475 ?
O8 Rb1 B4 62.6(2) 3_465 . ?
O8 Rb1 B4 100.3(2) 1_565 . ?
O9 Rb1 B4 130.4(2) 1_565 . ?
B1 Rb1 O9 99.37(19) 3_475 1_565 ?
B1 Rb1 B4 74.3(2) 3_475 . ?
B3 Rb1 O4 91.3(2) 3_475 . ?
B3 Rb1 O8 75.9(2) 3_475 3_465 ?
B3 Rb1 O9 90.11(19) 3_475 1_565 ?
B3 Rb1 B1 114.5(2) 3_475 3_475 ?
B3 Rb1 B4 138.0(2) 3_475 . ?
B4 O1 K1 101.7(6) . . ?
B4 O1 Rb1 71.7(5) . . ?
B4 O1 B5 132.5(8) . . ?
B4 O1 Rb2 101.7(6) . . ?
B5 O1 K1 109.2(5) . . ?
B5 O1 Rb1 83.8(5) . . ?
B5 O1 Rb2 109.2(5) . . ?
B1 O2 K1 81.6(5) . 3_565 ?
B1 O2 Rb1 89.3(5) . 3_575 ?
B1 O2 B5 130.9(7) . . ?
B1 O2 K 89.3(5) . 3_575 ?
B1 O2 Rb2 81.6(5) . 3_565 ?
B5 O2 K1 132.5(5) . 3_565 ?
B5 O2 Rb1 127.7(6) . 3_575 ?
B5 O2 K 127.7(6) . 3_575 ?
B5 O2 Rb2 132.5(5) . 3_565 ?
B1 O3 K1 99.6(4) . 3_565 ?
B1 O3 Rb1 98.6(5) . 3_575 ?
B1 O3 B5 117.7(6) . 3_575 ?
B1 O3 K 98.6(5) . 3_575 ?
B1 O3 Rb2 99.6(4) . 3_565 ?
B5 O3 K1 130.7(5) 3_575 3_565 ?
B5 O3 Rb1 115.5(5) 3_575 3_575 ?
B5 O3 K 115.5(5) 3_575 3_575 ?
B5 O3 Rb2 130.7(5) 3_575 3_565 ?
B3 O4 K1 97.4(5) . 4 ?
B3 O4 Rb1 83.1(5) . . ?
B3 O4 B5 121.8(7) . 4 ?
B3 O4 K 83.1(5) . . ?
B3 O4 Rb2 97.4(5) . 4 ?
B5 O4 K1 90.2(4) 4 4 ?
B5 O4 Rb1 109.4(5) 4 . ?
B5 O4 K 109.4(5) 4 . ?
B5 O4 Rb2 90.2(4) 4 4 ?
B1 O5 K1 109.9(5) . 1_565 ?
B1 O5 Rb1 130.7(5) . 4_554 ?
B1 O5 B3 122.5(6) . 2_674 ?
B1 O5 K 130.7(5) . 4_554 ?
B1 O5 Rb2 109.9(5) . 1_565 ?
B3 O5 K1 101.4(5) 2_674 1_565 ?
B3 O5 Rb1 94.1(5) 2_674 4_554 ?
B3 O5 K 94.1(5) 2_674 4_554 ?
B3 O5 Rb2 101.4(5) 2_674 1_565 ?
Rb1 O6 Rb1 107.71(19) . 3_575 ?
B3 O6 Rb1 96.5(5) . 3_575 ?
B3 O6 Rb1 107.5(4) . . ?
B3 O6 K 96.5(5) . 3_575 ?
B3 O6 K 107.5(4) . . ?
B4 O6 Rb1 110.1(5) . . ?
B4 O6 Rb1 113.5(5) . 3_575 ?
B4 O6 B3 120.3(7) . . ?
B4 O6 K 113.5(5) . 3_575 ?
B4 O6 K 110.1(5) . . ?
K O6 K 107.71(19) . 3_575 ?
K1 O7 K1 105.97(18) 2_665 4 ?
B2 O7 K1 85.3(5) . 4 ?
B2 O7 K1 132.6(6) . 2_665 ?
B2 O7 B3 119.8(7) . . ?
B2 O7 Rb2 85.3(5) . 4 ?
B2 O7 Rb2 132.6(6) . 2_665 ?
B3 O7 K1 102.3(5) . 2_665 ?
B3 O7 K1 103.5(5) . 4 ?
B3 O7 Rb2 103.5(5) . 4 ?
B3 O7 Rb2 102.3(5) . 2_665 ?
Rb2 O7 Rb2 105.97(18) 2_665 4 ?
Rb1 O8 Rb1 87.72(17) 1_545 3_565 ?
B2 O8 K1 70.3(5) . 4 ?
B2 O8 Rb1 155.2(6) . 3_565 ?
B2 O8 Rb1 101.6(6) . 1_545 ?
B2 O8 K 155.2(6) . 3_565 ?
B2 O8 K 101.6(6) . 1_545 ?
B2 O8 Rb2 70.3(5) . 4 ?
B2 O8 H8 83(6) . . ?
K O8 K 87.72(17) 1_545 3_565 ?
B2 O9 K1 136.0(6) . . ?
B2 O9 Rb1 86.5(5) . 1_545 ?
B2 O9 B4 117.2(7) . . ?
B2 O9 K 86.5(5) . 1_545 ?
B2 O9 Rb2 136.0(6) . . ?
B4 O9 K1 92.8(5) . . ?
B4 O9 Rb1 152.5(5) . 1_545 ?
B4 O9 K 152.5(5) . 1_545 ?
B4 O9 Rb2 92.8(5) . . ?
O2 B1 K1 75.2(5) . 3_565 ?
O2 B1 Rb1 67.1(5) . 3_575 ?
O2 B1 O3 114.4(7) . . ?
O2 B1 O5 124.5(8) . . ?
O2 B1 K 67.1(5) . 3_575 ?
O2 B1 Rb2 97.5(5) . 1_565 ?
O2 B1 Rb2 75.2(5) . 3_565 ?
O3 B1 K1 56.9(4) . 3_565 ?
O3 B1 Rb1 57.6(4) . 3_575 ?
O3 B1 O5 121.1(7) . . ?
O3 B1 K 57.6(4) . 3_575 ?
O3 B1 Rb2 56.9(4) . 3_565 ?
O3 B1 Rb2 124.8(5) . 1_565 ?
O5 B1 K1 138.5(6) . 3_565 ?
O5 B1 Rb1 147.0(6) . 3_575 ?
O5 B1 K 147.0(6) . 3_575 ?
O5 B1 Rb2 49.1(4) . 1_565 ?
O5 B1 Rb2 138.5(6) . 3_565 ?
Rb2 B1 Rb2 171.7(3) 3_565 1_565 ?
O7 B2 K1 70.2(5) . 4 ?
O7 B2 Rb1 144.2(6) . 1_545 ?
O7 B2 O8 123.7(8) . . ?
O7 B2 O9 121.7(9) . . ?
O7 B2 Rb2 70.2(5) . 4 ?
O7 B2 H8 88(2) . . ?
O8 B2 K1 86.2(5) . 4 ?
O8 B2 Rb1 56.6(5) . 1_545 ?
O8 B2 O9 114.6(8) . . ?
O8 B2 Rb2 86.2(5) . 4 ?
O8 B2 H8 37(2) . . ?
O9 B2 K1 115.8(6) . 4 ?
O9 B2 Rb1 71.1(5) . 1_545 ?
O9 B2 Rb2 115.8(6) . 4 ?
O9 B2 H8 148(3) . . ?
Rb1 B3 Rb1 82.1(2) 3_575 . ?
O4 B3 K1 123.9(6) . 2_665 ?
O4 B3 Rb1 152.7(6) . 3_575 ?
O4 B3 Rb1 72.7(4) . . ?
O4 B3 O5 112.0(7) . 2_675 ?
O4 B3 O6 109.4(7) . . ?
O4 B3 O7 113.0(7) . . ?
O4 B3 K 152.7(6) . 3_575 ?
O4 B3 K 72.7(4) . . ?
O4 B3 Rb2 60.0(4) . 4 ?
O4 B3 Rb2 123.9(6) . 2_665 ?
O5 B3 K1 54.2(4) 2_675 2_665 ?
O5 B3 Rb1 59.3(4) 2_675 3_575 ?
O5 B3 Rb1 94.8(5) 2_675 . ?
O5 B3 O7 106.9(7) 2_675 . ?
O5 B3 K 59.3(4) 2_675 3_575 ?
O5 B3 K 94.8(5) 2_675 . ?
O5 B3 Rb2 122.0(6) 2_675 4 ?
O5 B3 Rb2 54.2(4) 2_675 2_665 ?
O6 B3 K1 126.8(5) . 2_665 ?
O6 B3 Rb1 48.3(4) . . ?
O6 B3 Rb1 57.1(4) . 3_575 ?
O6 B3 O5 108.4(7) . 2_675 ?
O6 B3 O7 107.0(6) . . ?
O6 B3 K 48.3(4) . . ?
O6 B3 K 57.1(4) . 3_575 ?
O6 B3 Rb2 129.0(5) . 4 ?
O6 B3 Rb2 126.8(5) . 2_665 ?
O7 B3 K1 53.2(4) . 2_665 ?
O7 B3 Rb1 94.1(5) . 3_575 ?
O7 B3 Rb1 152.3(6) . . ?
O7 B3 K 94.1(5) . 3_575 ?
O7 B3 K 152.3(6) . . ?
O7 B3 Rb2 53.2(4) . 2_665 ?
O7 B3 Rb2 53.3(4) . 4 ?
K B3 K 82.1(2) 3_575 . ?
Rb2 B3 Rb2 82.1(2) 2_665 4 ?
Rb1 B4 Rb1 79.0(2) . 3_575 ?
O1 B4 K1 54.8(5) . . ?
O1 B4 Rb1 86.4(5) . . ?
O1 B4 Rb1 107.1(6) . 3_575 ?
O1 B4 O6 125.5(9) . . ?
O1 B4 O9 115.3(9) . . ?
O1 B4 K 86.4(5) . . ?
O1 B4 K 107.1(6) . 3_575 ?
O1 B4 Rb2 54.8(5) . . ?
O6 B4 K1 166.5(6) . . ?
O6 B4 Rb1 46.0(4) . 3_575 ?
O6 B4 Rb1 47.9(4) . . ?
O6 B4 O9 119.2(8) . . ?
O6 B4 K 47.9(4) . . ?
O6 B4 K 46.0(4) . 3_575 ?
O6 B4 Rb2 166.5(6) . . ?
O9 B4 K1 62.1(5) . . ?
O9 B4 Rb1 145.5(6) . . ?
O9 B4 Rb1 115.9(5) . 3_575 ?
O9 B4 K 145.5(6) . . ?
O9 B4 K 115.9(5) . 3_575 ?
O9 B4 Rb2 62.1(5) . . ?
K B4 K 79.0(2) . 3_575 ?
O1 B5 K1 47.2(4) . . ?
O1 B5 Rb1 72.8(5) . . ?
O1 B5 Rb2 47.2(4) . . ?
O2 B5 K1 104.1(4) . . ?
O2 B5 Rb1 98.5(5) . . ?
O2 B5 O1 108.4(7) . . ?
O2 B5 O3 109.8(6) . 3_475 ?
O2 B5 Rb2 104.1(4) . . ?
O3 B5 K1 143.9(5) 3_475 . ?
O3 B5 Rb1 43.6(4) 3_475 . ?
O3 B5 O1 108.3(7) 3_475 . ?
O3 B5 Rb2 143.9(5) 3_475 . ?
O4 B5 K1 65.7(4) 4_554 . ?
O4 B5 Rb1 147.5(5) 4_554 . ?
O4 B5 O1 107.5(6) 4_554 . ?
O4 B5 O2 111.5(8) 4_554 . ?
O4 B5 O3 111.1(7) 4_554 3_475 ?
O4 B5 Rb2 65.7(4) 4_554 . ?
O2 K O4 137.92(16) 3_475 . ?
O2 K O8 94.81(16) 3_475 3_465 ?
O2 K O9 90.90(15) 3_475 1_565 ?
O2 K B1 23.63(18) 3_475 3_475 ?
O2 K B3 92.7(2) 3_475 3_475 ?
O2 K B4 96.6(2) 3_475 . ?
O3 K O2 44.83(15) 3_475 3_475 ?
O3 K O4 118.08(16) 3_475 . ?
O3 K O8 101.99(18) 3_475 3_465 ?
O3 K O8 102.45(19) 3_475 1_565 ?
O3 K O9 91.79(17) 3_475 1_565 ?
O3 K B1 23.8(2) 3_475 3_475 ?
O3 K B3 137.5(2) 3_475 3_475 ?
O3 K B4 62.6(2) 3_475 . ?
O4 K O8 46.05(16) . 3_465 ?
O4 K O9 130.98(16) . 1_565 ?
O4 K B1 123.95(19) . 3_475 ?
O4 K B4 55.6(2) . . ?
O5 K O2 116.50(15) 4 3_475 ?
O5 K O3 158.15(18) 4 3_475 ?
O5 K O4 65.88(15) 4 . ?
O5 K O8 98.76(19) 4 1_565 ?
O5 K O8 64.31(18) 4 3_465 ?
O5 K O9 100.81(16) 4 1_565 ?
O5 K B1 134.8(2) 4 3_475 ?
O5 K B3 26.6(2) 4 3_475 ?
O5 K B4 118.5(2) 4 . ?
O6 K O2 66.63(16) 3_475 3_475 ?
O6 K O2 117.21(17) . 3_475 ?
O6 K O3 111.22(17) 3_475 3_475 ?
O6 K O3 77.77(17) . 3_475 ?
O6 K O4 107.41(16) 3_475 . ?
O6 K O4 45.06(15) . . ?
O6 K O5 110.76(17) . 4 ?
O6 K O5 50.45(17) 3_475 4 ?
O6 K O6 145.94(15) . 3_475 ?
O6 K O8 75.12(17) 3_475 3_465 ?
O6 K O8 81.59(17) . 1_565 ?
O6 K O8 70.85(17) . 3_465 ?
O6 K O8 125.22(18) 3_475 1_565 ?
O6 K O9 118.40(17) . 1_565 ?
O6 K O9 94.66(16) 3_475 1_565 ?
O6 K B1 94.0(2) . 3_475 ?
O6 K B1 88.06(19) 3_475 3_475 ?
O6 K B3 136.3(2) . 3_475 ?
O6 K B3 26.5(2) 3_475 3_475 ?
O6 K B4 21.9(2) . . ?
O6 K B4 133.1(2) 3_475 . ?
O8 K O2 126.40(18) 1_565 3_475 ?
O8 K O4 92.07(17) 1_565 . ?
O8 K O8 137.9(2) 1_565 3_465 ?
O8 K O9 41.31(15) 1_565 1_565 ?
O8 K O9 165.07(18) 3_465 1_565 ?
O8 K B1 122.5(2) 1_565 3_475 ?
O8 K B1 91.2(2) 3_465 3_475 ?
O8 K B3 106.6(2) 1_565 3_475 ?
O8 K B4 62.6(2) 3_465 . ?
O8 K B4 100.3(2) 1_565 . ?
O9 K B4 130.4(2) 1_565 . ?
B1 K O9 99.37(19) 3_475 1_565 ?
B1 K B4 74.3(2) 3_475 . ?
B3 K O4 91.3(2) 3_475 . ?
B3 K O8 75.9(2) 3_475 3_465 ?
B3 K O9 90.11(19) 3_475 1_565 ?
B3 K B1 114.5(2) 3_475 3_475 ?
B3 K B4 138.0(2) 3_475 . ?
O1 Rb2 O2 111.66(16) . 3_465 ?
O1 Rb2 O3 144.18(18) . 3_465 ?
O1 Rb2 O4 45.95(16) . 4_554 ?
O1 Rb2 O5 143.67(18) . 1_545 ?
O1 Rb2 O7 99.98(18) . 2_664 ?
O1 Rb2 O7 71.73(18) . 4_554 ?
O1 Rb2 O8 114.05(17) . 4_554 ?
O1 Rb2 O9 48.15(18) . . ?
O1 Rb2 B1 134.68(19) . 3_465 ?
O1 Rb2 B2 95.1(2) . 4_554 ?
O1 Rb2 B4 23.5(2) . . ?
O2 Rb2 O8 56.22(15) 3_465 4_554 ?
O2 Rb2 B1 23.16(17) 3_465 3_465 ?
O3 Rb2 O2 42.58(15) 3_465 3_465 ?
O3 Rb2 O4 158.13(16) 3_465 4_554 ?
O3 Rb2 O5 65.80(16) 3_465 1_545 ?
O3 Rb2 O7 114.01(17) 3_465 2_664 ?
O3 Rb2 O7 113.35(17) 3_465 4_554 ?
O3 Rb2 O8 75.16(16) 3_465 4_554 ?
O3 Rb2 O9 102.40(18) 3_465 . ?
O3 Rb2 B1 23.5(2) 3_465 3_465 ?
O3 Rb2 B2 98.6(2) 3_465 4_554 ?
O3 Rb2 B4 126.4(2) 3_465 . ?
O4 Rb2 O2 121.50(15) 4_554 3_465 ?
O4 Rb2 O8 83.07(15) 4_554 4_554 ?
O4 Rb2 B1 135.8(2) 4_554 3_465 ?
O4 Rb2 B2 59.7(2) 4_554 4_554 ?
O4 Rb2 B4 68.4(2) 4_554 . ?
O5 Rb2 O2 104.28(14) 1_545 3_465 ?
O5 Rb2 O4 116.94(16) 1_545 4_554 ?
O5 Rb2 O7 122.62(16) 1_545 4_554 ?
O5 Rb2 O8 90.03(16) 1_545 4_554 ?
O5 Rb2 O9 124.12(17) 1_545 . ?
O5 Rb2 B1 81.12(19) 1_545 3_465 ?
O5 Rb2 B2 99.2(2) 1_545 4_554 ?
O5 Rb2 B4 135.7(2) 1_545 . ?
O7 Rb2 O2 143.61(16) 2_664 3_465 ?
O7 Rb2 O2 77.82(15) 4_554 3_465 ?
O7 Rb2 O4 45.65(15) 4_554 4_554 ?
O7 Rb2 O4 69.45(16) 2_664 4_554 ?
O7 Rb2 O5 48.81(16) 2_664 1_545 ?
O7 Rb2 O7 96.32(16) 2_664 4_554 ?
O7 Rb2 O8 42.84(16) 4_554 4_554 ?
O7 Rb2 O8 95.12(17) 2_664 4_554 ?
O7 Rb2 O9 119.01(18) 2_664 . ?
O7 Rb2 B1 90.2(2) 4_554 3_465 ?
O7 Rb2 B1 123.61(19) 2_664 3_465 ?
O7 Rb2 B2 85.1(2) 2_664 4_554 ?
O7 Rb2 B2 24.5(2) 4_554 4_554 ?
O7 Rb2 B4 93.2(2) 4_554 . ?
O7 Rb2 B4 107.7(2) 2_664 . ?
O9 Rb2 O2 95.93(16) . 3_465 ?
O9 Rb2 O4 93.47(17) . 4_554 ?
O9 Rb2 O7 112.31(17) . 4_554 ?
O9 Rb2 O8 142.13(17) . 4_554 ?
O9 Rb2 B1 109.4(2) . 3_465 ?
O9 Rb2 B2 136.5(2) . 4_554 ?
O9 Rb2 B4 25.1(2) . . ?
B1 Rb2 O8 55.5(2) 3_465 4_554 ?
B2 Rb2 O2 74.9(2) 4_554 3_465 ?
B2 Rb2 O8 23.5(2) 4_554 4_554 ?
B2 Rb2 B1 78.5(2) 4_554 3_465 ?
B2 Rb2 B4 117.4(2) 4_554 . ?
B4 Rb2 O2 108.5(2) . 3_465 ?
B4 Rb2 O8 133.11(19) . 4_554 ?
B4 Rb2 B1 127.8(2) . 3_465 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
K1 O1 B4 O6 163.5(7) . . . . ?
K1 O1 B4 O9 -14.9(8) . . . . ?
K1 O1 B5 O2 -92.4(7) . . . . ?
K1 O1 B5 O3 148.5(5) . . . 3_475 ?
K1 O1 B5 O4 28.3(7) . . . 4_554 ?
K1 O2 B1 O3 -42.3(6) 3_565 . . . ?
K1 O2 B1 O5 139.3(9) 3_565 . . . ?
K1 O2 B5 K1 16.9(8) 3_565 . . . ?
K1 O2 B5 O1 66.1(10) 3_565 . . . ?
K1 O2 B5 O3 -175.8(4) 3_565 . . 3_475 ?
K1 O2 B5 O4 -52.1(10) 3_565 . . 4_554 ?
K1 O3 B1 O2 50.9(8) 3_565 . . . ?
K1 O3 B1 O5 -130.6(7) 3_565 . . . ?
K1 O4 B3 K1 -54.6(5) 4 . . 2_665 ?
K1 O4 B3 O5 -115.3(6) 4 . . 2_675 ?
K1 O4 B3 O6 124.6(6) 4 . . . ?
K1 O4 B3 O7 5.5(7) 4 . . . ?
K1 O5 B1 K1 175.3(5) 1_565 . . 3_565 ?
K1 O5 B1 O2 67.3(9) 1_565 . . . ?
K1 O5 B1 O3 -111.0(7) 1_565 . . . ?
K1 O7 B2 K1 107.5(6) 2_665 . . 4 ?
K1 O7 B2 O8 36.4(14) 2_665 . . . ?
K1 O7 B2 O8 -71.0(9) 4 . . . ?
K1 O7 B2 O9 108.7(9) 4 . . . ?
K1 O7 B2 O9 -143.8(7) 2_665 . . . ?
K1 O7 B3 K1 110.0(3) 4 . . 2_665 ?
K1 O7 B3 O4 -6.0(8) 4 . . . ?
K1 O7 B3 O4 -116.0(6) 2_665 . . . ?
K1 O7 B3 O5 117.7(6) 4 . . 2_675 ?
K1 O7 B3 O5 7.7(7) 2_665 . . 2_675 ?
K1 O7 B3 O6 123.6(5) 2_665 . . . ?
K1 O7 B3 O6 -126.4(5) 4 . . . ?
K1 O8 B2 O7 63.1(9) 4 . . . ?
K1 O8 B2 O9 -116.7(9) 4 . . . ?
K1 O9 B2 K1 -128.0(6) . . . 4 ?
K1 O9 B2 O7 150.3(6) . . . . ?
K1 O9 B2 O8 -29.9(13) . . . . ?
K1 O9 B4 O1 13.8(7) . . . . ?
K1 O9 B4 O6 -164.7(7) . . . . ?
Rb1 O1 B4 Rb1 -77.3(3) . . . 3_575 ?
Rb1 O1 B4 O6 -29.6(7) . . . . ?
Rb1 O1 B4 O9 152.0(8) . . . . ?
Rb1 O1 B5 O2 93.4(6) . . . . ?
Rb1 O1 B5 O3 -25.7(6) . . . 3_475 ?
Rb1 O1 B5 O4 -145.9(6) . . . 4_554 ?
Rb1 O2 B1 O3 33.8(7) 3_575 . . . ?
Rb1 O2 B1 O5 -144.6(8) 3_575 . . . ?
Rb1 O2 B5 Rb1 33.3(5) 3_575 . . . ?
Rb1 O2 B5 O1 -41.3(9) 3_575 . . . ?
Rb1 O2 B5 O3 76.9(8) 3_575 . . 3_475 ?
Rb1 O2 B5 O4 -159.5(5) 3_575 . . 4_554 ?
Rb1 O3 B1 O2 -37.4(7) 3_575 . . . ?
Rb1 O3 B1 O5 141.0(7) 3_575 . . . ?
Rb1 O4 B3 Rb1 22.9(12) . . . 3_575 ?
Rb1 O4 B3 O5 88.2(6) . . . 2_675 ?
Rb1 O4 B3 O6 -31.9(6) . . . . ?
Rb1 O4 B3 O7 -151.0(7) . . . . ?
Rb1 O5 B1 Rb1 -143.9(7) 4_554 . . 3_575 ?
Rb1 O5 B1 O2 -42.8(12) 4_554 . . . ?
Rb1 O5 B1 O3 138.9(6) 4_554 . . . ?
Rb1 O6 B3 Rb1 -110.9(3) . . . 3_575 ?
Rb1 O6 B3 Rb1 110.9(3) 3_575 . . . ?
Rb1 O6 B3 O4 153.5(5) 3_575 . . . ?
Rb1 O6 B3 O4 42.6(7) . . . . ?
Rb1 O6 B3 O5 31.2(6) 3_575 . . 2_675 ?
Rb1 O6 B3 O5 -79.7(6) . . . 2_675 ?
Rb1 O6 B3 O7 -83.8(6) 3_575 . . . ?
Rb1 O6 B3 O7 165.3(5) . . . . ?
Rb1 O6 B4 Rb1 120.8(5) . . . 3_575 ?
Rb1 O6 B4 Rb1 -120.8(5) 3_575 . . . ?
Rb1 O6 B4 O1 41.5(10) . . . . ?
Rb1 O6 B4 O1 -79.3(9) 3_575 . . . ?
Rb1 O6 B4 O9 -140.1(6) . . . . ?
Rb1 O6 B4 O9 99.1(8) 3_575 . . . ?
Rb1 O8 B2 Rb1 110.3(14) 3_565 . . 1_545 ?
Rb1 O8 B2 O7 -113.1(13) 3_565 . . . ?
Rb1 O8 B2 O7 136.7(9) 1_545 . . . ?
Rb1 O8 B2 O9 67.2(17) 3_565 . . . ?
Rb1 O8 B2 O9 -43.1(9) 1_545 . . . ?
Rb1 O9 B2 O7 -142.7(9) 1_545 . . . ?
Rb1 O9 B2 O8 37.1(8) 1_545 . . . ?
Rb1 O9 B4 Rb1 71.6(18) 1_545 . . . ?
Rb1 O9 B4 Rb1 -179.0(8) 1_545 . . 3_575 ?
Rb1 O9 B4 O1 -52.7(16) 1_545 . . . ?
Rb1 O9 B4 O6 128.8(10) 1_545 . . . ?
B1 O2 B5 K1 139.1(7) . . . . ?
B1 O2 B5 Rb1 -97.2(9) . . . . ?
B1 O2 B5 O1 -171.8(8) . . . . ?
B1 O2 B5 O3 -53.6(12) . . . 3_475 ?
B1 O2 B5 O4 70.0(10) . . . 4_554 ?
B1 O2 B5 Rb2 139.1(7) . . . . ?
B2 O7 B3 K1 -157.6(8) . . . 2_665 ?
B2 O7 B3 Rb1 -10.1(16) . . . . ?
B2 O7 B3 Rb1 -90.8(7) . . . 3_575 ?
B2 O7 B3 O4 86.4(10) . . . . ?
B2 O7 B3 O5 -149.9(8) . . . 2_675 ?
B2 O7 B3 O6 -34.0(10) . . . . ?
B2 O7 B3 K -10.1(16) . . . . ?
B2 O7 B3 K -90.8(7) . . . 3_575 ?
B2 O7 B3 Rb2 92.4(7) . . . 4 ?
B2 O7 B3 Rb2 -157.6(8) . . . 2_665 ?
B2 O9 B4 K1 146.5(8) . . . . ?
B2 O9 B4 Rb1 -75.4(12) . . . . ?
B2 O9 B4 Rb1 34.0(10) . . . 3_575 ?
B2 O9 B4 O1 160.3(8) . . . . ?
B2 O9 B4 O6 -18.2(12) . . . . ?
B2 O9 B4 K 34.0(10) . . . 3_575 ?
B2 O9 B4 K -75.4(12) . . . . ?
B2 O9 B4 Rb2 146.5(8) . . . . ?
B3 O5 B1 K1 -66.1(11) 2_674 . . 3_565 ?
B3 O5 B1 Rb1 84.8(12) 2_674 . . 3_575 ?
B3 O5 B1 O2 -174.2(8) 2_674 . . . ?
B3 O5 B1 O3 7.6(12) 2_674 . . . ?
B3 O5 B1 K 84.8(12) 2_674 . . 3_575 ?
B3 O5 B1 Rb2 118.6(8) 2_674 . . 1_565 ?
B3 O5 B1 Rb2 -66.1(11) 2_674 . . 3_565 ?
B3 O6 B4 K1 -106(3) . . . . ?
B3 O6 B4 Rb1 125.9(7) . . . . ?
B3 O6 B4 Rb1 -113.3(7) . . . 3_575 ?
B3 O6 B4 O1 167.4(8) . . . . ?
B3 O6 B4 O9 -14.3(11) . . . . ?
B3 O6 B4 K -113.3(7) . . . 3_575 ?
B3 O6 B4 K 125.9(7) . . . . ?
B3 O6 B4 Rb2 -106(3) . . . . ?
B3 O7 B2 K1 -102.9(7) . . . 4 ?
B3 O7 B2 Rb1 -96.0(11) . . . 1_545 ?
B3 O7 B2 O8 -174.0(8) . . . . ?
B3 O7 B2 O9 5.8(13) . . . . ?
B3 O7 B2 Rb2 -102.9(7) . . . 4 ?
B4 O1 B5 K1 127.7(10) . . . . ?
B4 O1 B5 Rb1 -58.1(9) . . . . ?
B4 O1 B5 O2 35.3(12) . . . . ?
B4 O1 B5 O3 -83.9(10) . . . 3_475 ?
B4 O1 B5 O4 156.0(9) . . . 4_554 ?
B4 O1 B5 Rb2 127.7(10) . . . . ?
B4 O6 B3 K1 94.7(8) . . . 2_665 ?
B4 O6 B3 Rb1 122.0(7) . . . 3_575 ?
B4 O6 B3 Rb1 -127.1(7) . . . . ?
B4 O6 B3 O4 -84.5(8) . . . . ?
B4 O6 B3 O5 153.2(7) . . . 2_675 ?
B4 O6 B3 O7 38.3(9) . . . . ?
B4 O6 B3 K 122.0(7) . . . 3_575 ?
B4 O6 B3 K -127.1(7) . . . . ?
B4 O6 B3 Rb2 -17.9(10) . . . 4 ?
B4 O6 B3 Rb2 94.7(8) . . . 2_665 ?
B4 O9 B2 K1 104.4(8) . . . 4 ?
B4 O9 B2 Rb1 165.4(7) . . . 1_545 ?
B4 O9 B2 O7 22.7(13) . . . . ?
B4 O9 B2 O8 -157.5(8) . . . . ?
B4 O9 B2 Rb2 104.4(8) . . . 4 ?
B5 O1 B4 K1 -130.3(10) . . . . ?
B5 O1 B4 Rb1 62.8(9) . . . . ?
B5 O1 B4 Rb1 -14.5(11) . . . 3_575 ?
B5 O1 B4 O6 33.2(14) . . . . ?
B5 O1 B4 O9 -145.2(8) . . . . ?
B5 O1 B4 K -14.5(11) . . . 3_575 ?
B5 O1 B4 K 62.8(9) . . . . ?
B5 O1 B4 Rb2 -130.3(10) . . . . ?
B5 O2 B1 K1 -140.9(8) . . . 3_565 ?
B5 O2 B1 Rb1 143.0(9) . . . 3_575 ?
B5 O2 B1 O3 176.9(8) . . . . ?
B5 O2 B1 O5 -1.5(14) . . . . ?
B5 O2 B1 K 143.0(9) . . . 3_575 ?
B5 O2 B1 Rb2 43.2(9) . . . 1_565 ?
B5 O2 B1 Rb2 -140.9(8) . . . 3_565 ?
B5 O3 B1 K1 146.8(8) 3_575 . . 3_565 ?
B5 O3 B1 Rb1 -124.9(7) 3_575 . . 3_575 ?
B5 O3 B1 O2 -162.3(8) 3_575 . . . ?
B5 O3 B1 O5 16.2(12) 3_575 . . . ?
B5 O3 B1 K -124.9(7) 3_575 . . 3_575 ?
B5 O3 B1 Rb2 -43.1(9) 3_575 . . 1_565 ?
B5 O3 B1 Rb2 146.8(8) 3_575 . . 3_565 ?
B5 O4 B3 K1 40.3(9) 4 . . 2_665 ?
B5 O4 B3 Rb1 -85.7(14) 4 . . 3_575 ?
B5 O4 B3 Rb1 -108.6(7) 4 . . . ?
B5 O4 B3 O5 -20.4(11) 4 . . 2_675 ?
B5 O4 B3 O6 -140.5(7) 4 . . . ?
B5 O4 B3 O7 100.4(9) 4 . . . ?
B5 O4 B3 K -85.7(14) 4 . . 3_575 ?
B5 O4 B3 K -108.6(7) 4 . . . ?
B5 O4 B3 Rb2 40.3(9) 4 . . 2_665 ?
B5 O4 B3 Rb2 94.9(7) 4 . . 4 ?
K O2 B1 O3 33.8(7) 3_575 . . . ?
K O2 B1 O5 -144.6(8) 3_575 . . . ?
K O2 B5 O1 -41.3(9) 3_575 . . . ?
K O2 B5 O3 76.9(8) 3_575 . . 3_475 ?
K O2 B5 O4 -159.5(5) 3_575 . . 4_554 ?
K O3 B1 O2 -37.4(7) 3_575 . . . ?
K O3 B1 O5 141.0(7) 3_575 . . . ?
K O4 B3 O5 88.2(6) . . . 2_675 ?
K O4 B3 O6 -31.9(6) . . . . ?
K O4 B3 O7 -151.0(7) . . . . ?
K O4 B3 K 22.9(12) . . . 3_575 ?
K O5 B1 O2 -42.8(12) 4_554 . . . ?
K O5 B1 O3 138.9(6) 4_554 . . . ?
K O5 B1 K -143.9(7) 4_554 . . 3_575 ?
K O6 B3 O4 42.6(7) . . . . ?
K O6 B3 O4 153.5(5) 3_575 . . . ?
K O6 B3 O5 -79.7(6) . . . 2_675 ?
K O6 B3 O5 31.2(6) 3_575 . . 2_675 ?
K O6 B3 O7 165.3(5) . . . . ?
K O6 B3 O7 -83.8(6) 3_575 . . . ?
K O6 B3 K 110.9(3) 3_575 . . . ?
K O6 B3 K -110.9(3) . . . 3_575 ?
K O6 B4 O1 41.5(10) . . . . ?
K O6 B4 O1 -79.3(9) 3_575 . . . ?
K O6 B4 O9 99.1(8) 3_575 . . . ?
K O6 B4 O9 -140.1(6) . . . . ?
K O6 B4 K -120.8(5) 3_575 . . . ?
K O6 B4 K 120.8(5) . . . 3_575 ?
K O8 B2 O7 -113.1(13) 3_565 . . . ?
K O8 B2 O7 136.7(9) 1_545 . . . ?
K O8 B2 O9 -43.1(9) 1_545 . . . ?
K O8 B2 O9 67.2(17) 3_565 . . . ?
K O9 B2 O7 -142.7(9) 1_545 . . . ?
K O9 B2 O8 37.1(8) 1_545 . . . ?
K O9 B4 O1 -52.7(16) 1_545 . . . ?
K O9 B4 O6 128.8(10) 1_545 . . . ?
K O9 B4 K 71.6(18) 1_545 . . . ?
K O9 B4 K -179.0(8) 1_545 . . 3_575 ?
Rb2 O1 B4 O6 163.5(7) . . . . ?
Rb2 O1 B4 O9 -14.9(8) . . . . ?
Rb2 O1 B5 O2 -92.4(7) . . . . ?
Rb2 O1 B5 O3 148.5(5) . . . 3_475 ?
Rb2 O1 B5 O4 28.3(7) . . . 4_554 ?
Rb2 O2 B1 O3 -42.3(6) 3_565 . . . ?
Rb2 O2 B1 O5 139.3(9) 3_565 . . . ?
Rb2 O2 B1 Rb2 -176.0(3) 3_565 . . 1_565 ?
Rb2 O2 B5 O1 66.1(10) 3_565 . . . ?
Rb2 O2 B5 O3 -175.8(4) 3_565 . . 3_475 ?
Rb2 O2 B5 O4 -52.1(10) 3_565 . . 4_554 ?
Rb2 O2 B5 Rb2 16.9(8) 3_565 . . . ?
Rb2 O3 B1 O2 50.9(8) 3_565 . . . ?
Rb2 O3 B1 O5 -130.6(7) 3_565 . . . ?
Rb2 O3 B1 Rb2 170.2(4) 3_565 . . 1_565 ?
Rb2 O4 B3 O5 -115.3(6) 4 . . 2_675 ?
Rb2 O4 B3 O6 124.6(6) 4 . . . ?
Rb2 O4 B3 O7 5.5(7) 4 . . . ?
Rb2 O4 B3 Rb2 -54.6(5) 4 . . 2_665 ?
Rb2 O5 B1 O2 67.3(9) 1_565 . . . ?
Rb2 O5 B1 O3 -111.0(7) 1_565 . . . ?
Rb2 O5 B1 Rb2 175.3(5) 1_565 . . 3_565 ?
Rb2 O7 B2 O8 -71.0(9) 4 . . . ?
Rb2 O7 B2 O8 36.4(14) 2_665 . . . ?
Rb2 O7 B2 O9 -143.8(7) 2_665 . . . ?
Rb2 O7 B2 O9 108.7(9) 4 . . . ?
Rb2 O7 B2 Rb2 107.5(6) 2_665 . . 4 ?
Rb2 O7 B3 O4 -116.0(6) 2_665 . . . ?
Rb2 O7 B3 O4 -6.0(8) 4 . . . ?
Rb2 O7 B3 O5 117.7(6) 4 . . 2_675 ?
Rb2 O7 B3 O5 7.7(7) 2_665 . . 2_675 ?
Rb2 O7 B3 O6 123.6(5) 2_665 . . . ?
Rb2 O7 B3 O6 -126.4(5) 4 . . . ?
Rb2 O7 B3 Rb2 110.0(3) 4 . . 2_665 ?
Rb2 O7 B3 Rb2 -110.0(3) 2_665 . . 4 ?
Rb2 O8 B2 O7 63.1(9) 4 . . . ?
Rb2 O8 B2 O9 -116.7(9) 4 . . . ?
Rb2 O9 B2 O7 150.3(6) . . . . ?
Rb2 O9 B2 O8 -29.9(13) . . . . ?
Rb2 O9 B2 Rb2 -128.0(6) . . . 4 ?
Rb2 O9 B4 O1 13.8(7) . . . . ?
Rb2 O9 B4 O6 -164.7(7) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_333
_audit_block_doi                 10.5517/ccdc.csd.cc2h7b36
_database_code_depnum_ccdc_archive 'CCDC 2300947'
loop_
_audit_author_name
_audit_author_address
ahmetjan
;ucas
China
;
_audit_update_record             
;
2023-10-12 deposited with the CCDC.	2024-11-05 downloaded from the CCDC.
;
_audit_creation_date             2023-05-26
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        KRbB6O9(OH)2
_chemical_formula_moiety         'B6 H2 K O11 Rb'
_chemical_formula_sum            'B6 H2 K O11 Rb'
_chemical_formula_weight         367.45
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 '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'
K K 0.2009 0.2494 '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'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.1030(5)
_cell_length_b                   6.6379(3)
_cell_length_c                   16.3616(9)
_cell_angle_alpha                90
_cell_angle_beta                 91.866(3)
_cell_angle_gamma                90
_cell_volume                     988.12(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4788
_cell_measurement_temperature    156.0
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      2.53
_shelx_estimated_absorpt_T_max   0.610
_shelx_estimated_absorpt_T_min   0.610
_exptl_absorpt_coefficient_mu    5.485
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5436
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1225 before and 0.0698 after correction.
The Ratio of minimum to maximum transmission is 0.7291.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.470
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0742
_diffrn_reflns_av_unetI/netI     0.0452
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            11178
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.350
_diffrn_reflns_theta_min         2.491
_diffrn_ambient_temperature      156.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1514
_reflns_number_total             1804
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.009
_refine_diff_density_min         -0.684
_refine_diff_density_rms         0.143
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     174
_refine_ls_number_reflns         1804
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0568
_refine_ls_R_factor_gt           0.0471
_refine_ls_restrained_S_all      1.104
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0370P)²+8.6329P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1178
_refine_ls_wR_factor_ref         0.1218
_refine_special_details          ?
_olex2_refinement_description    
;
1. Shared sites
{Rb, K}
{Rb1, K1}
2. Uiso/Uaniso restraints and constraints
Uanis(Rb) = Uanis(K)
Uanis(Rb1) = Uanis(K1)
3. Others
 Fixed Sof: Rb1(0.5) K1(0.5) Rb(0.5) K(0.5)
4.a Riding coordinates:
 O00A(H00A), O00D(H00D)
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Rb1 Rb 0.98549(8) 0.31578(12) 0.87731(5) 0.0197(2) Uani 0.5 1 d . . P . .
K1 K 0.98549(8) 0.31578(12) 0.87731(5) 0.0197(2) Uani 0.5 1 d . . P . .
Rb Rb 1.01386(9) 1.10786(14) 0.34470(5) 0.0245(3) Uani 0.5 1 d . . P . .
K K 1.01386(9) 1.10786(14) 0.34470(5) 0.0245(3) Uani 0.5 1 d . . P . .
O003 O 0.7377(5) 0.1392(7) 0.5943(3) 0.0247(10) Uani 1 1 d . . . . .
O004 O 0.8594(5) 0.7538(7) 0.3890(3) 0.0261(10) Uani 1 1 d . . . . .
O005 O 0.6025(5) 0.7918(7) 0.4235(3) 0.0276(11) Uani 1 1 d . . . . .
O006 O 0.7916(5) 0.4873(7) 0.6296(3) 0.0272(11) Uani 1 1 d . . . . .
O007 O 0.6725(5) 0.5779(8) 0.3133(3) 0.0310(11) Uani 1 1 d . . . . .
O008 O 0.7777(5) 0.0464(7) 0.4556(3) 0.0277(11) Uani 1 1 d . . . . .
O009 O 0.7879(5) 0.7331(7) 0.5293(3) 0.0275(11) Uani 1 1 d . . . . .
O00A O 0.8052(5) 0.2418(8) 0.7315(3) 0.0306(11) Uani 1 1 d . . . . .
H00A H 0.771229 0.121480 0.755567 0.13(5) Uiso 1 1 d R . . . .
O00B O 0.7705(6) 0.3851(7) 0.4905(3) 0.0316(11) Uani 1 1 d . . . . .
O00C O 0.4284(5) 0.6595(9) 0.3243(3) 0.0366(13) Uani 1 1 d . . . . .
O00D O 0.9180(5) 0.5243(9) 0.2852(3) 0.0396(13) Uani 1 1 d . . . . .
H00D H 1.018234 0.560270 0.293405 0.08(3) Uiso 1 1 d R . . . .
B00E B 0.7840(8) 0.5372(11) 0.5485(4) 0.0206(15) Uani 1 1 d . . . . .
B00F B 0.7629(8) 0.1842(11) 0.5154(5) 0.0219(15) Uani 1 1 d . . . . .
B00G B 0.8183(8) 0.6199(12) 0.3313(5) 0.0263(17) Uani 1 1 d . . . . .
B00H B 0.7576(8) 0.8286(12) 0.4496(5) 0.0252(16) Uani 1 1 d . . . . .
B00I B 0.5645(8) 0.6810(12) 0.3562(5) 0.0244(16) Uani 1 1 d . . . . .
B00J B 0.7253(8) 0.2978(12) 0.6568(5) 0.0232(16) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rb1 O003 3.002(4) 2_656 ?
Rb1 O005 3.385(5) 2_646 ?
Rb1 O005 2.905(5) 4_676 ?
Rb1 O006 3.333(5) 2_646 ?
Rb1 O007 3.308(5) 4_666 ?
Rb1 O008 3.055(5) 4_666 ?
Rb1 O009 3.013(5) 2_646 ?
Rb1 O00A 2.893(5) . ?
Rb1 H00A 3.0302 . ?
Rb1 O00C 3.309(6) 4_666 ?
Rb1 O00D 3.021(6) 3_766 ?
Rb1 B00E 3.333(7) 2_646 ?
Rb1 B00F 3.333(7) 4_666 ?
Rb O003 2.942(5) 3_766 ?
Rb O004 2.845(5) . ?
Rb O006 3.239(5) 3_776 ?
Rb O007 3.051(5) 2_655 ?
Rb O008 2.888(5) 1_565 ?
Rb O009 2.894(5) 3_776 ?
Rb O00A 3.129(5) 3_766 ?
Rb O00A 3.432(5) 4_675 ?
Rb O00C 2.852(5) 2_655 ?
Rb O00D 3.048(6) 1_565 ?
Rb B00E 3.433(7) 3_776 ?
Rb B00I 3.375(8) 2_655 ?
O003 B00F 1.352(9) . ?
O003 B00J 1.475(9) . ?
O004 B00G 1.341(9) . ?
O004 B00H 1.466(9) . ?
O005 B00H 1.482(9) . ?
O005 B00I 1.360(9) . ?
O006 B00E 1.367(9) . ?
O006 B00J 1.471(9) . ?
O007 B00G 1.379(9) . ?
O007 B00I 1.405(9) . ?
O008 B00F 1.349(9) . ?
O008 B00H 1.460(9) 1_545 ?
O009 B00E 1.339(9) . ?
O009 B00H 1.467(9) . ?
O00A H00A 0.9467 . ?
O00A B00J 1.450(9) . ?
O00B B00E 1.388(9) . ?
O00B B00F 1.397(9) . ?
O00C B00I 1.336(9) . ?
O00C B00J 1.470(8) 3_666 ?
O00D H00D 0.9481 . ?
O00D B00G 1.356(9) . ?

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
_geom_angle_publ_flag
O003 Rb1 O005 72.68(12) 2_656 2_646 ?
O003 Rb1 O006 87.59(12) 2_656 2_646 ?
O003 Rb1 O007 166.35(13) 2_656 4_666 ?
O003 Rb1 O008 107.78(13) 2_656 4_666 ?
O003 Rb1 O009 58.50(12) 2_656 2_646 ?
O003 Rb1 H00A 88.9 2_656 . ?
O003 Rb1 O00C 128.40(12) 2_656 4_666 ?
O003 Rb1 O00D 95.88(13) 2_656 3_766 ?
O003 Rb1 B00E 80.25(15) 2_656 2_646 ?
O003 Rb1 B00F 113.37(16) 2_656 4_666 ?
O005 Rb1 O003 64.07(13) 4_676 2_656 ?
O005 Rb1 O005 83.57(13) 4_676 2_646 ?
O005 Rb1 O006 150.00(12) 4_676 2_646 ?
O005 Rb1 O007 127.06(12) 4_676 4_666 ?
O005 Rb1 O008 46.80(12) 4_676 4_666 ?
O005 Rb1 O009 109.47(13) 4_676 2_646 ?
O005 Rb1 H00A 116.4 2_646 . ?
O005 Rb1 H00A 140.8 4_676 . ?
O005 Rb1 O00C 167.53(12) 4_676 4_666 ?
O005 Rb1 O00D 78.42(14) 4_676 3_766 ?
O005 Rb1 B00E 132.13(16) 4_676 2_646 ?
O005 Rb1 B00F 63.92(16) 4_676 4_666 ?
O006 Rb1 O005 78.41(11) 2_646 2_646 ?
O006 Rb1 H00A 39.6 2_646 . ?
O006 Rb1 B00F 125.35(15) 2_646 4_666 ?
O007 Rb1 O005 114.10(12) 4_666 2_646 ?
O007 Rb1 O006 82.48(12) 4_666 2_646 ?
O007 Rb1 H00A 77.4 4_666 . ?
O007 Rb1 O00C 40.69(11) 4_666 4_666 ?
O007 Rb1 B00E 93.99(15) 4_666 2_646 ?
O007 Rb1 B00F 80.12(16) 4_666 4_666 ?
O008 Rb1 O005 80.81(12) 4_666 2_646 ?
O008 Rb1 O006 149.05(12) 4_666 2_646 ?
O008 Rb1 O007 85.38(12) 4_666 4_666 ?
O008 Rb1 H00A 159.4 4_666 . ?
O008 Rb1 O00C 121.52(12) 4_666 4_666 ?
O008 Rb1 B00E 130.88(15) 4_666 2_646 ?
O008 Rb1 B00F 23.88(15) 4_666 4_666 ?
O009 Rb1 O005 43.77(11) 2_646 2_646 ?
O009 Rb1 O006 42.38(12) 2_646 2_646 ?
O009 Rb1 O007 117.32(12) 2_646 4_666 ?
O009 Rb1 O008 124.34(13) 2_646 4_666 ?
O009 Rb1 H00A 74.4 2_646 . ?
O009 Rb1 O00C 80.44(12) 2_646 4_666 ?
O009 Rb1 O00D 141.19(13) 2_646 3_766 ?
O009 Rb1 B00E 23.67(15) 2_646 2_646 ?
O009 Rb1 B00F 106.03(16) 2_646 4_666 ?
O00A Rb1 O003 83.12(13) . 2_656 ?
O00A Rb1 O005 124.06(14) . 4_676 ?
O00A Rb1 O005 129.80(13) . 2_646 ?
O00A Rb1 O006 56.82(13) . 2_646 ?
O00A Rb1 O007 83.61(13) . 4_666 ?
O00A Rb1 O008 149.28(14) . 4_666 ?
O00A Rb1 O009 86.06(13) . 2_646 ?
O00A Rb1 H00A 18.2 . . ?
O00A Rb1 O00C 62.74(13) . 4_666 ?
O00A Rb1 O00D 60.47(14) . 3_766 ?
O00A Rb1 B00E 78.56(16) . 2_646 ?
O00A Rb1 B00F 162.92(17) . 4_666 ?
O00C Rb1 O005 99.64(12) 4_666 2_646 ?
O00C Rb1 O006 41.85(11) 4_666 2_646 ?
O00C Rb1 H00A 47.9 4_666 . ?
O00C Rb1 B00E 56.99(15) 4_666 2_646 ?
O00C Rb1 B00F 106.67(15) 4_666 4_666 ?
O00D Rb1 O005 161.62(13) 3_766 2_646 ?
O00D Rb1 O006 116.21(13) 3_766 2_646 ?
O00D Rb1 O007 80.29(13) 3_766 4_666 ?
O00D Rb1 O008 89.43(13) 3_766 4_666 ?
O00D Rb1 H00A 76.7 3_766 . ?
O00D Rb1 O00C 98.74(13) 3_766 4_666 ?
O00D Rb1 B00E 138.98(16) 3_766 2_646 ?
O00D Rb1 B00F 111.19(16) 3_766 4_666 ?
B00E Rb1 O005 54.76(15) 2_646 2_646 ?
B00E Rb1 O006 23.67(15) 2_646 2_646 ?
B00E Rb1 H00A 62.5 2_646 . ?
B00E Rb1 B00F 107.65(18) 2_646 4_666 ?
B00F Rb1 O005 62.94(15) 4_666 2_646 ?
B00F Rb1 H00A 154.5 4_666 . ?
O003 Rb O006 90.43(12) 3_766 3_776 ?
O003 Rb O007 130.62(13) 3_766 2_655 ?
O003 Rb O00A 75.29(12) 3_766 4_675 ?
O003 Rb O00A 46.58(12) 3_766 3_766 ?
O003 Rb O00D 145.35(13) 3_766 1_565 ?
O003 Rb B00E 79.43(15) 3_766 3_776 ?
O003 Rb B00I 123.10(16) 3_766 2_655 ?
O004 Rb O003 80.44(13) . 3_766 ?
O004 Rb O006 157.70(13) . 3_776 ?
O004 Rb O007 84.03(13) . 2_655 ?
O004 Rb O008 48.60(13) . 1_565 ?
O004 Rb O009 114.95(13) . 3_776 ?
O004 Rb O00A 140.79(13) . 4_675 ?
O004 Rb O00A 76.10(13) . 3_766 ?
O004 Rb O00C 117.04(15) . 2_655 ?
O004 Rb O00D 133.76(13) . 1_565 ?
O004 Rb B00E 134.31(16) . 3_776 ?
O004 Rb B00I 106.05(17) . 2_655 ?
O006 Rb O00A 53.12(12) 3_776 4_675 ?
O006 Rb B00E 23.42(14) 3_776 3_776 ?
O006 Rb B00I 96.00(16) 3_776 2_655 ?
O007 Rb O006 116.80(12) 2_655 3_776 ?
O007 Rb O00A 84.23(13) 2_655 3_766 ?
O007 Rb O00A 88.86(12) 2_655 4_675 ?
O007 Rb B00E 138.60(16) 2_655 3_776 ?
O007 Rb B00I 24.60(16) 2_655 2_655 ?
O008 Rb O003 106.73(13) 1_565 3_766 ?
O008 Rb O006 116.79(13) 1_565 3_776 ?
O008 Rb O007 96.80(13) 1_565 2_655 ?
O008 Rb O009 93.64(13) 1_565 3_776 ?
O008 Rb O00A 123.93(14) 1_565 3_766 ?
O008 Rb O00A 169.91(13) 1_565 4_675 ?
O008 Rb O00D 96.75(13) 1_565 1_565 ?
O008 Rb B00E 100.06(15) 1_565 3_776 ?
O008 Rb B00I 119.63(16) 1_565 2_655 ?
O009 Rb O003 60.48(13) 3_776 3_766 ?
O009 Rb O006 43.87(12) 3_776 3_776 ?
O009 Rb O007 160.65(13) 3_776 2_655 ?
O009 Rb O00A 103.32(13) 3_776 3_766 ?
O009 Rb O00A 78.66(12) 3_776 4_675 ?
O009 Rb O00D 93.55(13) 3_776 1_565 ?
O009 Rb B00E 22.42(15) 3_776 3_776 ?
O009 Rb B00I 138.42(17) 3_776 2_655 ?
O00A Rb O006 112.00(13) 3_766 3_776 ?
O00A Rb O00A 64.82(5) 3_766 4_675 ?
O00A Rb B00E 70.39(15) 4_675 3_776 ?
O00A Rb B00E 115.58(15) 3_766 3_776 ?
O00A Rb B00I 79.39(16) 3_766 2_655 ?
O00C Rb O003 103.41(13) 2_655 3_766 ?
O00C Rb O006 84.77(14) 2_655 3_776 ?
O00C Rb O007 45.71(13) 2_655 2_655 ?
O00C Rb O008 142.28(13) 2_655 1_565 ?
O00C Rb O009 121.08(14) 2_655 3_776 ?
O00C Rb O00A 43.27(12) 2_655 4_675 ?
O00C Rb O00A 65.59(14) 2_655 3_766 ?
O00C Rb O00D 68.99(15) 2_655 1_565 ?
O00C Rb B00E 107.36(17) 2_655 3_776 ?
O00C Rb B00I 22.85(16) 2_655 2_655 ?
O00D Rb O006 55.85(12) 1_565 3_776 ?
O00D Rb O007 69.11(13) 1_565 2_655 ?
O00D Rb O00A 133.97(14) 1_565 3_766 ?
O00D Rb O00A 77.43(13) 1_565 4_675 ?
O00D Rb B00E 71.53(15) 1_565 3_776 ?
O00D Rb B00I 60.64(16) 1_565 2_655 ?
B00I Rb O00A 64.87(15) 2_655 4_675 ?
B00I Rb B00E 119.33(18) 2_655 3_776 ?
Rb O003 Rb1 93.76(13) 3_766 2_646 ?
B00F O003 Rb1 116.2(4) . 2_646 ?
B00F O003 Rb 107.1(4) . 3_766 ?
B00F O003 B00J 121.6(5) . . ?
B00J O003 Rb1 109.6(4) . 2_646 ?
B00J O003 Rb 103.8(4) . 3_766 ?
B00G O004 Rb 119.8(4) . . ?
B00G O004 B00H 122.2(5) . . ?
B00H O004 Rb 102.8(4) . . ?
Rb1 O005 Rb1 96.43(12) 4_575 2_656 ?
B00H O005 Rb1 105.4(4) . 4_575 ?
B00H O005 Rb1 88.1(4) . 2_656 ?
B00I O005 Rb1 138.0(4) . 2_656 ?
B00I O005 Rb1 101.1(4) . 4_575 ?
B00I O005 B00H 122.5(6) . . ?
Rb O006 Rb1 82.61(11) 3_776 2_656 ?
B00E O006 Rb1 78.1(4) . 2_656 ?
B00E O006 Rb 86.3(4) . 3_776 ?
B00E O006 B00J 119.6(5) . . ?
B00J O006 Rb1 104.6(4) . 2_656 ?
B00J O006 Rb 153.9(4) . 3_776 ?
Rb O007 Rb1 92.42(12) 2_645 4_565 ?
B00G O007 Rb1 126.5(5) . 4_565 ?
B00G O007 Rb 132.3(4) . 2_645 ?
B00G O007 B00I 118.6(6) . . ?
B00I O007 Rb1 81.4(4) . 4_565 ?
B00I O007 Rb 90.7(4) . 2_645 ?
Rb O008 Rb1 110.48(15) 1_545 4_565 ?
B00F O008 Rb1 89.7(4) . 4_565 ?
B00F O008 Rb 117.0(4) . 1_545 ?
B00F O008 B00H 134.8(6) . 1_545 ?
B00H O008 Rb1 99.4(4) 1_545 4_565 ?
B00H O008 Rb 101.0(4) 1_545 1_545 ?
Rb O009 Rb1 94.50(13) 3_776 2_656 ?
B00E O009 Rb1 91.7(4) . 2_656 ?
B00E O009 Rb 102.0(4) . 3_776 ?
B00E O009 B00H 128.4(6) . . ?
B00H O009 Rb1 103.7(4) . 2_656 ?
B00H O009 Rb 124.7(4) . 3_776 ?
Rb1 O00A Rb 99.36(14) . 3_766 ?
Rb1 O00A Rb 86.19(12) . 4_576 ?
Rb1 O00A H00A 89.1 . . ?
Rb O00A Rb 148.97(18) 3_766 4_576 ?
Rb O00A H00A 75.7 4_576 . ?
Rb O00A H00A 73.9 3_766 . ?
B00J O00A Rb1 155.1(4) . . ?
B00J O00A Rb 90.3(4) . 4_576 ?
B00J O00A Rb 96.3(4) . 3_766 ?
B00J O00A H00A 113.9 . . ?
B00E O00B Rb1 134.8(4) . 4_565 ?
B00E O00B B00F 119.9(5) . . ?
B00F O00B Rb1 75.0(4) . 4_565 ?
Rb1 O00C Rb1 146.50(16) 4_565 4_575 ?
Rb O00C Rb1 108.56(17) 2_645 4_575 ?
Rb O00C Rb1 96.15(15) 2_645 4_565 ?
B00I O00C Rb1 82.2(4) . 4_565 ?
B00I O00C Rb1 71.3(4) . 4_575 ?
B00I O00C Rb 101.2(4) . 2_645 ?
B00I O00C B00J 140.7(6) . 3_666 ?
B00J O00C Rb1 83.9(4) 3_666 4_575 ?
B00J O00C Rb1 105.7(4) 3_666 4_565 ?
B00J O00C Rb 115.7(4) 3_666 2_645 ?
Rb1 O00D Rb 120.75(16) 3_766 1_545 ?
Rb1 O00D H00D 74.3 3_766 . ?
Rb O00D H00D 85.4 1_545 . ?
B00G O00D Rb1 122.9(5) . 3_766 ?
B00G O00D Rb 115.9(5) . 1_545 ?
B00G O00D H00D 117.5 . . ?
Rb1 B00E Rb 79.76(16) 2_656 3_776 ?
O006 B00E Rb1 78.2(4) . 2_656 ?
O006 B00E Rb 70.3(3) . 3_776 ?
O006 B00E O00B 119.2(6) . . ?
O009 B00E Rb1 64.6(4) . 2_656 ?
O009 B00E Rb 55.6(3) . 3_776 ?
O009 B00E O006 117.5(6) . . ?
O009 B00E O00B 123.3(6) . . ?
O00B B00E Rb1 127.1(4) . 2_656 ?
O00B B00E Rb 151.8(5) . 3_776 ?
Rb1 B00F Rb1 82.19(16) 4_565 2_646 ?
Rb1 B00F Rb 146.6(2) 4_565 3_766 ?
Rb1 B00F Rb 87.76(17) 4_565 1_545 ?
Rb B00F Rb1 71.95(14) 3_766 2_646 ?
Rb B00F Rb1 130.7(2) 1_545 2_646 ?
Rb B00F Rb 93.25(17) 3_766 1_545 ?
O003 B00F Rb1 120.0(4) . 4_565 ?
O003 B00F Rb1 45.1(3) . 2_646 ?
O003 B00F Rb 144.9(5) . 1_545 ?
O003 B00F Rb 51.7(3) . 3_766 ?
O003 B00F O00B 120.1(6) . . ?
O008 B00F Rb1 88.5(4) . 2_646 ?
O008 B00F Rb1 66.4(3) . 4_565 ?
O008 B00F Rb 44.0(3) . 1_545 ?
O008 B00F Rb 91.6(4) . 3_766 ?
O008 B00F O003 124.5(6) . . ?
O008 B00F O00B 115.4(6) . . ?
O00B B00F Rb1 81.1(4) . 4_565 ?
O00B B00F Rb1 141.8(5) . 2_646 ?
O00B B00F Rb 82.7(4) . 1_545 ?
O00B B00F Rb 132.1(4) . 3_766 ?
O004 B00G Rb 41.9(3) . . ?
O004 B00G O007 121.9(6) . . ?
O004 B00G O00D 121.7(6) . . ?
O007 B00G Rb 130.4(5) . . ?
O00D B00G Rb 96.5(4) . . ?
O00D B00G O007 116.3(6) . . ?
Rb1 B00H Rb1 80.90(16) 4_575 2_656 ?
Rb B00H Rb1 87.33(18) . 4_575 ?
Rb B00H Rb1 146.0(2) . 2_656 ?
O004 B00H Rb1 116.3(4) . 4_575 ?
O004 B00H Rb1 158.4(5) . 2_656 ?
O004 B00H Rb 52.9(3) . . ?
O004 B00H O005 111.5(6) . . ?
O004 B00H O009 110.5(6) . . ?
O005 B00H Rb1 67.9(3) . 2_656 ?
O005 B00H Rb1 51.2(3) . 4_575 ?
O005 B00H Rb 126.4(4) . . ?
O008 B00H Rb1 57.0(3) 1_565 4_575 ?
O008 B00H Rb1 92.8(4) 1_565 2_656 ?
O008 B00H Rb 54.6(3) 1_565 . ?
O008 B00H O004 107.5(6) 1_565 . ?
O008 B00H O005 107.3(6) 1_565 . ?
O008 B00H O009 110.4(6) 1_565 . ?
O009 B00H Rb1 133.1(5) . 4_575 ?
O009 B00H Rb1 53.3(3) . 2_656 ?
O009 B00H Rb 124.0(4) . . ?
O009 B00H O005 109.6(6) . . ?
Rb1 B00I Rb1 152.6(3) 4_565 4_575 ?
Rb B00I Rb1 101.5(2) 2_645 4_575 ?
Rb B00I Rb1 85.46(18) 2_645 4_565 ?
O005 B00I Rb1 56.1(3) . 4_575 ?
O005 B00I Rb1 119.5(5) . 4_565 ?
O005 B00I Rb 155.1(5) . 2_645 ?
O005 B00I O007 120.3(6) . . ?
O007 B00I Rb1 132.5(5) . 4_575 ?
O007 B00I Rb1 74.4(4) . 4_565 ?
O007 B00I Rb 64.7(3) . 2_645 ?
O00C B00I Rb1 87.1(4) . 4_575 ?
O00C B00I Rb1 74.9(4) . 4_565 ?
O00C B00I Rb 56.0(3) . 2_645 ?
O00C B00I O005 125.6(7) . . ?
O00C B00I O007 114.1(6) . . ?
Rb B00J Rb1 72.27(14) 3_766 2_646 ?
Rb B00J Rb1 89.48(16) 4_576 2_646 ?
Rb B00J Rb 119.4(2) 3_766 4_576 ?
O003 B00J Rb1 48.7(3) . 2_646 ?
O003 B00J Rb 138.1(4) . 4_576 ?
O003 B00J Rb 52.7(3) . 3_766 ?
O006 B00J Rb1 153.4(4) . 2_646 ?
O006 B00J Rb 111.2(4) . 3_766 ?
O006 B00J Rb 109.5(4) . 4_576 ?
O006 B00J O003 111.0(6) . . ?
O00A B00J Rb1 98.4(4) . 2_646 ?
O00A B00J Rb 66.9(3) . 4_576 ?
O00A B00J Rb 60.0(3) . 3_766 ?
O00A B00J O003 110.7(6) . . ?
O00A B00J O006 106.0(5) . . ?
O00A B00J O00C 109.1(6) . 3_666 ?
O00C B00J Rb1 73.2(4) 3_666 2_646 ?
O00C B00J Rb 43.5(3) 3_666 4_576 ?
O00C B00J Rb 141.3(5) 3_666 3_766 ?
O00C B00J O003 112.2(5) 3_666 . ?
O00C B00J O006 107.5(6) 3_666 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rb1 O003 B00F Rb1 37.4(5) 2_646 . . 4_565 ?
Rb1 O003 B00F Rb -103.2(3) 2_646 . . 3_766 ?
Rb1 O003 B00F Rb -100.6(7) 2_646 . . 1_545 ?
Rb1 O003 B00F O008 -43.2(8) 2_646 . . . ?
Rb1 O003 B00F O00B 134.8(5) 2_646 . . . ?
Rb1 O003 B00J Rb 4.9(7) 2_646 . . 4_576 ?
Rb1 O003 B00J Rb 99.1(3) 2_646 . . 3_766 ?
Rb1 O003 B00J O006 -159.7(4) 2_646 . . . ?
Rb1 O003 B00J O00A 82.9(5) 2_646 . . . ?
Rb1 O003 B00J O00C -39.3(6) 2_646 . . 3_666 ?
Rb1 O005 B00H Rb1 96.16(19) 4_575 . . 2_656 ?
Rb1 O005 B00H Rb1 -96.16(19) 2_656 . . 4_575 ?
Rb1 O005 B00H Rb -144.3(4) 2_656 . . . ?
Rb1 O005 B00H Rb -48.1(5) 4_575 . . . ?
Rb1 O005 B00H O004 156.7(5) 2_656 . . . ?
Rb1 O005 B00H O004 -107.2(5) 4_575 . . . ?
Rb1 O005 B00H O008 10.3(6) 4_575 . . 1_565 ?
Rb1 O005 B00H O008 -85.9(5) 2_656 . . 1_565 ?
Rb1 O005 B00H O009 34.0(5) 2_656 . . . ?
Rb1 O005 B00H O009 130.2(4) 4_575 . . . ?
Rb1 O005 B00I Rb1 112.9(6) 2_656 . . 4_575 ?
Rb1 O005 B00I Rb1 -35.3(8) 2_656 . . 4_565 ?
Rb1 O005 B00I Rb1 -148.1(3) 4_575 . . 4_565 ?
Rb1 O005 B00I Rb 141.6(8) 2_656 . . 2_645 ?
Rb1 O005 B00I Rb 28.7(12) 4_575 . . 2_645 ?
Rb1 O005 B00I O007 123.4(6) 4_575 . . . ?
Rb1 O005 B00I O007 -123.7(6) 2_656 . . . ?
Rb1 O005 B00I O00C -56.1(8) 4_575 . . . ?
Rb1 O005 B00I O00C 56.8(11) 2_656 . . . ?
Rb1 O006 B00E Rb 83.22(10) 2_656 . . 3_776 ?
Rb1 O006 B00E O009 53.0(6) 2_656 . . . ?
Rb1 O006 B00E O00B -126.1(6) 2_656 . . . ?
Rb1 O006 B00J Rb1 82.6(9) 2_656 . . 2_646 ?
Rb1 O006 B00J Rb -50.8(3) 2_656 . . 4_576 ?
Rb1 O006 B00J Rb 175.12(17) 2_656 . . 3_766 ?
Rb1 O006 B00J O003 118.3(4) 2_656 . . . ?
Rb1 O006 B00J O00A -121.4(4) 2_656 . . . ?
Rb1 O006 B00J O00C -4.8(5) 2_656 . . 3_666 ?
Rb1 O007 B00G Rb -151.7(3) 4_565 . . . ?
Rb1 O007 B00G O004 -100.2(7) 4_565 . . . ?
Rb1 O007 B00G O00D 82.3(8) 4_565 . . . ?
Rb1 O007 B00I Rb1 -174.6(5) 4_565 . . 4_575 ?
Rb1 O007 B00I Rb -92.34(12) 4_565 . . 2_645 ?
Rb1 O007 B00I O005 115.4(6) 4_565 . . . ?
Rb1 O007 B00I O00C -65.1(6) 4_565 . . . ?
Rb1 O008 B00F Rb1 82.15(13) 4_565 . . 2_646 ?
Rb1 O008 B00F Rb 154.04(16) 4_565 . . 3_766 ?
Rb1 O008 B00F Rb -113.0(3) 4_565 . . 1_545 ?
Rb1 O008 B00F O003 111.2(6) 4_565 . . . ?
Rb1 O008 B00F O00B -66.9(6) 4_565 . . . ?
Rb1 O009 B00E Rb -94.97(19) 2_656 . . 3_776 ?
Rb1 O009 B00E O006 -59.8(6) 2_656 . . . ?
Rb1 O009 B00E O00B 119.1(6) 2_656 . . . ?
Rb1 O009 B00H Rb1 14.4(6) 2_656 . . 4_575 ?
Rb1 O009 B00H Rb 138.1(3) 2_656 . . . ?
Rb1 O009 B00H O004 -163.5(4) 2_656 . . . ?
Rb1 O009 B00H O005 -40.3(6) 2_656 . . . ?
Rb1 O009 B00H O008 77.7(5) 2_656 . . 1_565 ?
Rb1 O00A B00J Rb1 -167.3(8) . . . 2_646 ?
Rb1 O00A B00J Rb -81.5(9) . . . 4_576 ?
Rb1 O00A B00J Rb 128.9(10) . . . 3_766 ?
Rb1 O00A B00J O003 143.7(8) . . . . ?
Rb1 O00A B00J O006 23.3(13) . . . . ?
Rb1 O00A B00J O00C -92.2(10) . . . 3_666 ?
Rb1 O00B B00E Rb1 2.1(8) 4_565 . . 2_656 ?
Rb1 O00B B00E Rb -157.5(6) 4_565 . . 3_776 ?
Rb1 O00B B00E O006 99.5(7) 4_565 . . . ?
Rb1 O00B B00E O009 -79.5(8) 4_565 . . . ?
Rb1 O00B B00F Rb1 -65.1(6) 4_565 . . 2_646 ?
Rb1 O00B B00F Rb 88.87(12) 4_565 . . 1_545 ?
Rb1 O00B B00F Rb 176.6(6) 4_565 . . 3_766 ?
Rb1 O00B B00F O003 -119.6(6) 4_565 . . . ?
Rb1 O00B B00F O008 58.5(5) 4_565 . . . ?
Rb1 O00C B00I Rb1 159.23(17) 4_575 . . 4_565 ?
Rb1 O00C B00I Rb1 -159.23(17) 4_565 . . 4_575 ?
Rb1 O00C B00I Rb 94.76(19) 4_565 . . 2_645 ?
Rb1 O00C B00I Rb -106.0(2) 4_575 . . 2_645 ?
Rb1 O00C B00I O005 -115.7(7) 4_565 . . . ?
Rb1 O00C B00I O005 43.6(7) 4_575 . . . ?
Rb1 O00C B00I O007 64.8(6) 4_565 . . . ?
Rb1 O00C B00I O007 -135.9(6) 4_575 . . . ?
Rb1 O00D B00G Rb -55.7(4) 3_766 . . . ?
Rb1 O00D B00G O004 -91.6(8) 3_766 . . . ?
Rb1 O00D B00G O007 86.0(7) 3_766 . . . ?
Rb O003 B00F Rb1 140.6(3) 3_766 . . 4_565 ?
Rb O003 B00F Rb1 103.2(3) 3_766 . . 2_646 ?
Rb O003 B00F Rb 2.7(8) 3_766 . . 1_545 ?
Rb O003 B00F O008 60.1(7) 3_766 . . . ?
Rb O003 B00F O00B -122.0(6) 3_766 . . . ?
Rb O003 B00J Rb1 -99.1(3) 3_766 . . 2_646 ?
Rb O003 B00J Rb -94.3(5) 3_766 . . 4_576 ?
Rb O003 B00J O006 101.2(5) 3_766 . . . ?
Rb O003 B00J O00A -16.2(6) 3_766 . . . ?
Rb O003 B00J O00C -138.4(5) 3_766 . . 3_666 ?
Rb O004 B00G O007 -116.7(7) . . . . ?
Rb O004 B00G O00D 60.7(9) . . . . ?
Rb O004 B00H Rb1 -155.9(10) . . . 2_656 ?
Rb O004 B00H Rb1 64.0(4) . . . 4_575 ?
Rb O004 B00H O005 120.1(5) . . . . ?
Rb O004 B00H O008 2.8(5) . . . 1_565 ?
Rb O004 B00H O009 -117.8(5) . . . . ?
Rb O006 B00E Rb1 -83.22(10) 3_776 . . 2_656 ?
Rb O006 B00E O009 -30.3(6) 3_776 . . . ?
Rb O006 B00E O00B 150.7(6) 3_776 . . . ?
Rb O006 B00J Rb1 -174.1(3) 3_776 . . 2_646 ?
Rb O006 B00J Rb -81.5(9) 3_776 . . 3_766 ?
Rb O006 B00J Rb 52.5(10) 3_776 . . 4_576 ?
Rb O006 B00J O003 -138.4(7) 3_776 . . . ?
Rb O006 B00J O00A -18.1(12) 3_776 . . . ?
Rb O006 B00J O00C 98.5(9) 3_776 . . 3_666 ?
Rb O007 B00G Rb 70.3(7) 2_645 . . . ?
Rb O007 B00G O004 121.9(6) 2_645 . . . ?
Rb O007 B00G O00D -55.6(9) 2_645 . . . ?
Rb O007 B00I Rb1 92.34(12) 2_645 . . 4_565 ?
Rb O007 B00I Rb1 -82.3(5) 2_645 . . 4_575 ?
Rb O007 B00I O005 -152.3(6) 2_645 . . . ?
Rb O007 B00I O00C 27.2(6) 2_645 . . . ?
Rb O008 B00F Rb1 -164.9(2) 1_545 . . 2_646 ?
Rb O008 B00F Rb1 113.0(3) 1_545 . . 4_565 ?
Rb O008 B00F Rb -93.0(3) 1_545 . . 3_766 ?
Rb O008 B00F O003 -135.9(6) 1_545 . . . ?
Rb O008 B00F O00B 46.1(7) 1_545 . . . ?
Rb O009 B00E Rb1 94.97(19) 3_776 . . 2_656 ?
Rb O009 B00E O006 35.1(7) 3_776 . . . ?
Rb O009 B00E O00B -145.9(6) 3_776 . . . ?
Rb O009 B00H Rb1 -91.2(6) 3_776 . . 4_575 ?
Rb O009 B00H Rb1 -105.5(4) 3_776 . . 2_656 ?
Rb O009 B00H Rb 32.5(7) 3_776 . . . ?
Rb O009 B00H O004 90.9(6) 3_776 . . . ?
Rb O009 B00H O005 -145.8(4) 3_776 . . . ?
Rb O009 B00H O008 -27.8(8) 3_776 . . 1_565 ?
Rb O00A B00J Rb1 63.8(2) 3_766 . . 2_646 ?
Rb O00A B00J Rb1 -85.79(19) 4_576 . . 2_646 ?
Rb O00A B00J Rb 149.6(2) 3_766 . . 4_576 ?
Rb O00A B00J Rb -149.6(2) 4_576 . . 3_766 ?
Rb O00A B00J O003 -134.7(5) 4_576 . . . ?
Rb O00A B00J O003 14.9(5) 3_766 . . . ?
Rb O00A B00J O006 -105.6(4) 3_766 . . . ?
Rb O00A B00J O006 104.8(4) 4_576 . . . ?
Rb O00A B00J O00C -10.7(5) 4_576 . . 3_666 ?
Rb O00A B00J O00C 138.9(5) 3_766 . . 3_666 ?
Rb O00C B00I Rb1 106.0(2) 2_645 . . 4_575 ?
Rb O00C B00I Rb1 -94.76(19) 2_645 . . 4_565 ?
Rb O00C B00I O005 149.6(6) 2_645 . . . ?
Rb O00C B00I O007 -29.9(7) 2_645 . . . ?
Rb O00D B00G Rb 131.6(2) 1_545 . . . ?
Rb O00D B00G O004 95.7(7) 1_545 . . . ?
Rb O00D B00G O007 -86.7(7) 1_545 . . . ?
B00E O006 B00J Rb1 -1.9(13) . . . 2_646 ?
B00E O006 B00J Rb -135.3(5) . . . 4_576 ?
B00E O006 B00J Rb 90.6(6) . . . 3_766 ?
B00E O006 B00J O003 33.8(8) . . . . ?
B00E O006 B00J O00A 154.1(6) . . . . ?
B00E O006 B00J O00C -89.3(7) . . . 3_666 ?
B00E O009 B00H Rb1 117.8(7) . . . 4_575 ?
B00E O009 B00H Rb1 103.5(7) . . . 2_656 ?
B00E O009 B00H Rb -118.4(6) . . . . ?
B00E O009 B00H O004 -60.0(9) . . . . ?
B00E O009 B00H O005 63.2(9) . . . . ?
B00E O009 B00H O008 -178.8(6) . . . 1_565 ?
B00E O00B B00F Rb1 133.4(6) . . . 4_565 ?
B00E O00B B00F Rb1 68.3(9) . . . 2_646 ?
B00E O00B B00F Rb -50.0(9) . . . 3_766 ?
B00E O00B B00F Rb -137.7(5) . . . 1_545 ?
B00E O00B B00F O003 13.8(10) . . . . ?
B00E O00B B00F O008 -168.1(6) . . . . ?
B00F O003 B00J Rb1 140.4(6) . . . 2_646 ?
B00F O003 B00J Rb 145.2(6) . . . 4_576 ?
B00F O003 B00J Rb -120.5(6) . . . 3_766 ?
B00F O003 B00J O006 -19.3(8) . . . . ?
B00F O003 B00J O00A -136.7(6) . . . . ?
B00F O003 B00J O00C 101.1(7) . . . 3_666 ?
B00F O00B B00E Rb1 -96.5(7) . . . 2_656 ?
B00F O00B B00E Rb 103.9(10) . . . 3_776 ?
B00F O00B B00E O006 0.9(10) . . . . ?
B00F O00B B00E O009 -178.1(6) . . . . ?
B00G O004 B00H Rb1 66.0(14) . . . 2_656 ?
B00G O004 B00H Rb1 -74.2(7) . . . 4_575 ?
B00G O004 B00H Rb -138.2(7) . . . . ?
B00G O004 B00H O005 -18.0(9) . . . . ?
B00G O004 B00H O008 -135.4(6) . . . 1_565 ?
B00G O004 B00H O009 104.1(7) . . . . ?
B00G O007 B00I Rb1 58.3(9) . . . 4_575 ?
B00G O007 B00I Rb1 -127.0(6) . . . 4_565 ?
B00G O007 B00I Rb 140.6(6) . . . 2_645 ?
B00G O007 B00I O005 -11.7(10) . . . . ?
B00G O007 B00I O00C 167.9(7) . . . . ?
B00H O004 B00G Rb 131.5(7) . . . . ?
B00H O004 B00G O007 14.8(11) . . . . ?
B00H O004 B00G O00D -167.8(7) . . . . ?
B00H O005 B00I Rb1 95.4(6) . . . 4_565 ?
B00H O005 B00I Rb1 -116.5(6) . . . 4_575 ?
B00H O005 B00I Rb -87.7(12) . . . 2_645 ?
B00H O005 B00I O007 6.9(10) . . . . ?
B00H O005 B00I O00C -172.5(7) . . . . ?
B00H O008 B00F Rb1 -103.0(7) 1_545 . . 4_565 ?
B00H O008 B00F Rb1 -20.9(7) 1_545 . . 2_646 ?
B00H O008 B00F Rb 51.0(7) 1_545 . . 3_766 ?
B00H O008 B00F Rb 144.0(9) 1_545 . . 1_545 ?
B00H O008 B00F O003 8.2(12) 1_545 . . . ?
B00H O008 B00F O00B -169.9(6) 1_545 . . . ?
B00H O009 B00E Rb1 -109.1(7) . . . 2_656 ?
B00H O009 B00E Rb 155.9(7) . . . 3_776 ?
B00H O009 B00E O006 -168.9(6) . . . . ?
B00H O009 B00E O00B 10.1(11) . . . . ?
B00I O005 B00H Rb1 -149.5(6) . . . 2_656 ?
B00I O005 B00H Rb1 114.3(6) . . . 4_575 ?
B00I O005 B00H Rb 66.2(8) . . . . ?
B00I O005 B00H O004 7.2(9) . . . . ?
B00I O005 B00H O008 124.6(7) . . . 1_565 ?
B00I O005 B00H O009 -115.5(7) . . . . ?
B00I O007 B00G Rb -50.7(9) . . . . ?
B00I O007 B00G O004 0.9(11) . . . . ?
B00I O007 B00G O00D -176.7(7) . . . . ?
B00J O003 B00F Rb1 -100.5(6) . . . 4_565 ?
B00J O003 B00F Rb1 -137.9(7) . . . 2_646 ?
B00J O003 B00F Rb 121.5(7) . . . 1_545 ?
B00J O003 B00F Rb 118.8(6) . . . 3_766 ?
B00J O003 B00F O008 178.9(6) . . . . ?
B00J O003 B00F O00B -3.2(9) . . . . ?
B00J O006 B00E Rb1 100.2(5) . . . 2_656 ?
B00J O006 B00E Rb -176.6(5) . . . 3_776 ?
B00J O006 B00E O009 153.2(6) . . . . ?
B00J O006 B00E O00B -25.9(9) . . . . ?
B00J O00C B00I Rb1 105.3(9) 3_666 . . 4_565 ?
B00J O00C B00I Rb1 -53.9(10) 3_666 . . 4_575 ?
B00J O00C B00I Rb -159.9(11) 3_666 . . 2_645 ?
B00J O00C B00I O005 -10.3(15) 3_666 . . . ?
B00J O00C B00I O007 170.2(8) 3_666 . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_555
_audit_block_doi                 10.5517/ccdc.csd.cc2h7b47
_database_code_depnum_ccdc_archive 'CCDC 2300948'
loop_
_audit_author_name
_audit_author_address
'Ahmetjan Ababekri'
;university of chinese academy of science
China
;
_audit_update_record             
;
2024-02-28 deposited with the CCDC.	2024-11-05 downloaded from the CCDC.
;
_audit_creation_date             2024-02-28
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        k3.3Rb0.7B10O19(OH)2
_chemical_formula_moiety         'B10 H4 K3.3 O19 Rb0.7'
_chemical_formula_sum            'B10 H4 K3.30 O19 Rb0.70'
_chemical_formula_weight         604.99
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 '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'
K K 0.2009 0.2494 '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'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   18.1442(8)
_cell_length_b                   6.9056(3)
_cell_length_c                   13.4447(7)
_cell_angle_alpha                90
_cell_angle_beta                 95.926(2)
_cell_angle_gamma                90
_cell_volume                     1675.57(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6359
_cell_measurement_temperature    300.0
_cell_measurement_theta_max      54.986
_cell_measurement_theta_min      4.514
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.013
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6361
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.398
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1178
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0525
_diffrn_reflns_av_unetI/netI     0.0314
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13727
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.493
_diffrn_reflns_theta_min         2.257
_diffrn_ambient_temperature      300.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1719
_reflns_number_total             1918
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.888
_refine_diff_density_min         -0.650
_refine_diff_density_rms         0.118
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.148
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     150
_refine_ls_number_reflns         1918
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0422
_refine_ls_R_factor_gt           0.0375
_refine_ls_restrained_S_all      1.148
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0487P)²+7.9298P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1053
_refine_ls_wR_factor_ref         0.1083
_refine_special_details          ?
_olex2_refinement_description    
;
1. Shared sites
{Rb1, K1}
2. Uiso/Uaniso restraints and constraints
Uanis(Rb1) = Uanis(K1)
3. Others
 Fixed Sof: Rb1(0.35) K1(0.65)
4.a Riding coordinates:
 O8(H8), O10(H10)
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Rb1 Rb 0.56315(3) 0.35910(7) 0.43400(4) 0.01852(16) Uani 0.35 1 d . . P . .
K1 K 0.56315(3) 0.35910(7) 0.43400(4) 0.01852(16) Uani 0.65 1 d . . P . .
K2 K 0.21636(4) 0.60005(11) 0.34724(5) 0.01984(19) Uani 1 1 d . . . . .
B1 B 0.7237(2) 0.9059(6) 0.5991(3) 0.0200(7) Uani 1 1 d . . . . .
B2 B 0.5353(2) 0.8310(5) 0.3293(3) 0.0169(7) Uani 1 1 d . . . . .
B3 B 0.4179(2) 0.6496(5) 0.3092(3) 0.0185(7) Uani 1 1 d . . . . .
B4 B 0.3704(2) 0.3305(6) 0.3542(3) 0.0205(7) Uani 1 1 d . . . . .
B5 B 0.6082(2) 0.8847(6) 0.4963(3) 0.0198(7) Uani 1 1 d . . . . .
O1 O 0.500000 0.9507(5) 0.250000 0.0173(6) Uani 1 2 d S T P . .
O2 O 0.36438(13) 0.5416(3) 0.35007(19) 0.0222(5) Uani 1 1 d . . . . .
O3 O 0.70728(13) 0.7475(4) 0.65129(18) 0.0225(5) Uani 1 1 d . . . . .
O4 O 0.57233(14) 0.9495(3) 0.40936(17) 0.0207(5) Uani 1 1 d . . . . .
O5 O 0.40486(13) 0.7097(4) 0.21187(18) 0.0224(5) Uani 1 1 d . . . . .
O6 O 0.48065(14) 0.6977(4) 0.36785(18) 0.0224(5) Uani 1 1 d . . . . .
O7 O 0.58853(13) 0.7299(4) 0.54890(19) 0.0238(5) Uani 1 1 d . . . . .
O8 O 0.40731(15) 0.2651(4) 0.27004(19) 0.0267(6) Uani 1 1 d . . . . .
H8 H 0.438582 0.153921 0.274738 0.032 Uiso 1 1 d R U . . .
O9 O 0.67207(14) 0.9907(4) 0.52936(19) 0.0263(6) Uani 1 1 d . . . . .
O10 O 0.79148(15) 0.9915(4) 0.6122(2) 0.0306(6) Uani 1 1 d . . . . .
H10 H 0.806283 0.947189 0.680557 0.037 Uiso 1 1 d R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rb1 B3 3.434(4) 5_666 ?
Rb1 B5 3.459(4) 1_545 ?
Rb1 O2 3.137(3) 5_666 ?
Rb1 O4 2.855(2) 1_545 ?
Rb1 O5 3.206(3) 2_655 ?
Rb1 O6 2.884(2) 5_666 ?
Rb1 O6 2.868(3) . ?
Rb1 O7 3.001(3) . ?
Rb1 O7 2.852(2) 5_666 ?
Rb1 O8 2.922(3) 2_655 ?
Rb1 H8 3.2713 . ?
Rb1 O9 3.391(3) 1_545 ?
Rb1 O10 2.957(3) 7_666 ?
K2 B1 3.353(4) 8_465 ?
K2 B4 3.386(4) 4 ?
K2 B4 3.352(4) . ?
K2 B5 3.300(4) 3_445 ?
K2 O2 2.712(3) . ?
K2 O3 2.770(3) 5_666 ?
K2 O3 2.826(3) 8_465 ?
K2 O4 3.010(3) 3_445 ?
K2 O8 2.844(3) 4 ?
K2 O9 2.760(3) 3_445 ?
K2 O10 2.879(3) 5_676 ?
B1 O3 1.349(5) . ?
B1 O9 1.385(5) . ?
B1 O10 1.359(4) . ?
B2 O1 1.445(4) . ?
B2 O4 1.460(4) . ?
B2 O5 1.521(4) 2_655 ?
B2 O6 1.485(4) . ?
B3 O2 1.382(4) . ?
B3 O5 1.370(4) . ?
B3 O6 1.358(4) . ?
B4 O2 1.463(4) . ?
B4 O3 1.504(4) 5_666 ?
B4 O7 1.492(4) 5_666 ?
B4 O8 1.445(5) . ?
B5 O4 1.354(5) . ?
B5 O7 1.350(5) . ?
B5 O9 1.403(4) . ?
O8 H8 0.9531 . ?
O10 H10 0.9800 . ?

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
_geom_angle_publ_flag
B3 Rb1 B5 75.13(9) 5_666 1_545 ?
B3 Rb1 H8 129.9 5_666 . ?
B5 Rb1 H8 83.0 1_545 . ?
O2 Rb1 B3 23.72(8) 5_666 5_666 ?
O2 Rb1 B5 85.23(8) 5_666 1_545 ?
O2 Rb1 O5 108.42(6) 5_666 2_655 ?
O2 Rb1 H8 153.6 5_666 . ?
O2 Rb1 O9 69.01(6) 5_666 1_545 ?
O4 Rb1 B3 95.65(8) 1_545 5_666 ?
O4 Rb1 B5 22.24(8) 1_545 1_545 ?
O4 Rb1 O2 107.46(7) 1_545 5_666 ?
O4 Rb1 O5 131.37(7) 1_545 2_655 ?
O4 Rb1 O6 89.84(7) 1_545 5_666 ?
O4 Rb1 O6 143.78(7) 1_545 . ?
O4 Rb1 O7 153.81(7) 1_545 . ?
O4 Rb1 O8 69.67(7) 1_545 2_655 ?
O4 Rb1 H8 62.6 1_545 . ?
O4 Rb1 O9 42.42(6) 1_545 1_545 ?
O4 Rb1 O10 104.92(8) 1_545 7_666 ?
O5 Rb1 B3 128.48(8) 2_655 5_666 ?
O5 Rb1 B5 144.13(8) 2_655 1_545 ?
O5 Rb1 H8 94.8 2_655 . ?
O5 Rb1 O9 131.50(6) 2_655 1_545 ?
O6 Rb1 B3 22.75(8) 5_666 5_666 ?
O6 Rb1 B3 108.71(8) . 5_666 ?
O6 Rb1 B5 74.22(8) 5_666 1_545 ?
O6 Rb1 B5 161.85(8) . 1_545 ?
O6 Rb1 O2 45.90(6) 5_666 5_666 ?
O6 Rb1 O2 105.32(7) . 5_666 ?
O6 Rb1 O5 138.78(7) 5_666 2_655 ?
O6 Rb1 O5 46.86(6) . 2_655 ?
O6 Rb1 O6 102.27(6) . 5_666 ?
O6 Rb1 O7 60.75(7) . . ?
O6 Rb1 O7 71.51(7) 5_666 . ?
O6 Rb1 O8 91.74(7) . 2_655 ?
O6 Rb1 O8 158.69(8) 5_666 2_655 ?
O6 Rb1 H8 81.2 . . ?
O6 Rb1 H8 107.9 5_666 . ?
O6 Rb1 O9 75.76(7) 5_666 1_545 ?
O6 Rb1 O9 173.80(7) . 1_545 ?
O6 Rb1 O10 95.67(7) . 7_666 ?
O6 Rb1 O10 125.31(7) 5_666 7_666 ?
O7 Rb1 B3 60.22(8) . 5_666 ?
O7 Rb1 B3 84.99(8) 5_666 5_666 ?
O7 Rb1 B5 131.57(8) . 1_545 ?
O7 Rb1 B5 88.99(8) 5_666 1_545 ?
O7 Rb1 O2 46.35(6) . 5_666 ?
O7 Rb1 O2 106.75(7) 5_666 5_666 ?
O7 Rb1 O4 82.20(7) 5_666 1_545 ?
O7 Rb1 O5 116.68(7) 5_666 2_655 ?
O7 Rb1 O5 69.07(7) . 2_655 ?
O7 Rb1 O6 73.95(7) 5_666 . ?
O7 Rb1 O6 62.36(7) 5_666 5_666 ?
O7 Rb1 O7 103.90(6) 5_666 . ?
O7 Rb1 O8 107.45(7) 5_666 2_655 ?
O7 Rb1 H8 139.9 . . ?
O7 Rb1 H8 49.6 5_666 . ?
O7 Rb1 O9 113.14(7) . 1_545 ?
O7 Rb1 O9 109.72(7) 5_666 1_545 ?
O7 Rb1 O10 168.83(7) 5_666 7_666 ?
O8 Rb1 B3 158.56(8) 2_655 5_666 ?
O8 Rb1 B5 87.45(8) 2_655 1_545 ?
O8 Rb1 O2 144.84(7) 2_655 5_666 ?
O8 Rb1 O5 62.04(7) 2_655 2_655 ?
O8 Rb1 O7 129.75(7) 2_655 . ?
O8 Rb1 H8 58.0 2_655 . ?
O8 Rb1 O9 91.84(7) 2_655 1_545 ?
O8 Rb1 O10 68.07(8) 2_655 7_666 ?
O9 Rb1 B3 67.22(8) 1_545 5_666 ?
O9 Rb1 B5 23.62(7) 1_545 1_545 ?
O9 Rb1 H8 105.0 1_545 . ?
O10 Rb1 B3 102.59(8) 7_666 5_666 ?
O10 Rb1 B5 100.82(8) 7_666 1_545 ?
O10 Rb1 O2 79.64(7) 7_666 5_666 ?
O10 Rb1 O5 52.15(7) 7_666 2_655 ?
O10 Rb1 O7 73.59(8) 7_666 . ?
O10 Rb1 H8 125.8 7_666 . ?
O10 Rb1 O9 81.00(7) 7_666 1_545 ?
B1 K2 Rb1 116.10(7) 8_465 3_455 ?
B1 K2 B4 43.37(9) 8_465 4 ?
B4 K2 Rb1 73.42(7) 4 3_455 ?
B4 K2 Rb1 159.51(7) . 3_455 ?
B4 K2 B1 84.38(9) . 8_465 ?
B4 K2 B4 126.94(5) . 4 ?
B5 K2 Rb1 59.98(7) 3_445 3_455 ?
B5 K2 B1 133.32(10) 3_445 8_465 ?
B5 K2 B4 106.22(10) 3_445 . ?
B5 K2 B4 116.16(10) 3_445 4 ?
O2 K2 Rb1 150.01(6) . 3_455 ?
O2 K2 B1 82.59(9) . 8_465 ?
O2 K2 B4 117.34(9) . 4 ?
O2 K2 B4 25.20(8) . . ?
O2 K2 B5 125.06(9) . 3_445 ?
O2 K2 O3 51.49(7) . 5_666 ?
O2 K2 O3 91.77(7) . 8_465 ?
O2 K2 O4 146.27(7) . 3_445 ?
O2 K2 O8 142.26(8) . 4 ?
O2 K2 O9 108.99(8) . 3_445 ?
O2 K2 O10 102.20(8) . 5_676 ?
O3 K2 Rb1 98.30(5) 8_465 3_455 ?
O3 K2 Rb1 146.16(6) 5_666 3_455 ?
O3 K2 B1 23.28(8) 8_465 8_465 ?
O3 K2 B1 85.71(8) 5_666 8_465 ?
O3 K2 B4 127.15(9) 5_666 4 ?
O3 K2 B4 101.59(8) 8_465 . ?
O3 K2 B4 26.08(8) 8_465 4 ?
O3 K2 B4 26.32(8) 5_666 . ?
O3 K2 B5 86.19(9) 5_666 3_445 ?
O3 K2 B5 138.85(9) 8_465 3_445 ?
O3 K2 O3 108.08(6) 5_666 8_465 ?
O3 K2 O4 98.43(7) 5_666 3_445 ?
O3 K2 O4 114.75(7) 8_465 3_445 ?
O3 K2 O8 135.77(8) 5_666 4 ?
O3 K2 O8 50.74(7) 8_465 4 ?
O3 K2 O10 79.20(8) 8_465 5_676 ?
O3 K2 O10 151.87(8) 5_666 5_676 ?
O4 K2 Rb1 50.21(5) 3_445 3_455 ?
O4 K2 B1 113.39(8) 3_445 8_465 ?
O4 K2 B4 123.10(8) 3_445 . ?
O4 K2 B4 92.23(8) 3_445 4 ?
O4 K2 B5 24.22(8) 3_445 3_445 ?
O8 K2 Rb1 52.34(5) 4 3_455 ?
O8 K2 B1 64.12(8) 4 8_465 ?
O8 K2 B4 147.78(9) 4 . ?
O8 K2 B4 24.93(8) 4 4 ?
O8 K2 B5 91.88(9) 4 3_445 ?
O8 K2 O4 68.55(7) 4 3_445 ?
O8 K2 O10 70.17(8) 4 5_676 ?
O9 K2 Rb1 62.82(6) 3_445 3_455 ?
O9 K2 B1 157.60(9) 3_445 8_465 ?
O9 K2 B4 133.17(9) 3_445 4 ?
O9 K2 B4 98.15(9) 3_445 . ?
O9 K2 B5 24.78(8) 3_445 3_445 ?
O9 K2 O3 87.01(8) 3_445 5_666 ?
O9 K2 O3 159.17(8) 3_445 8_465 ?
O9 K2 O4 47.05(7) 3_445 3_445 ?
O9 K2 O8 108.43(8) 3_445 4 ?
O9 K2 O10 94.32(8) 3_445 5_676 ?
O10 K2 Rb1 52.90(5) 5_676 3_455 ?
O10 K2 B1 102.03(9) 5_676 8_465 ?
O10 K2 B4 126.59(9) 5_676 . ?
O10 K2 B4 70.31(8) 5_676 4 ?
O10 K2 B5 106.39(9) 5_676 3_445 ?
O10 K2 O4 102.97(7) 5_676 3_445 ?
O3 B1 K2 55.87(17) . 8_566 ?
O3 B1 O9 121.6(3) . . ?
O3 B1 O10 122.1(3) . . ?
O9 B1 K2 125.8(2) . 8_566 ?
O10 B1 K2 90.3(2) . 8_566 ?
O10 B1 O9 116.3(3) . . ?
O1 B2 Rb1 148.0(2) . . ?
O1 B2 O4 111.0(3) . . ?
O1 B2 O5 109.0(2) . 2_655 ?
O1 B2 O6 110.6(3) . . ?
O4 B2 Rb1 100.67(19) . . ?
O4 B2 O5 106.6(3) . 2_655 ?
O4 B2 O6 111.3(3) . . ?
O5 B2 Rb1 64.05(16) 2_655 . ?
O6 B2 Rb1 50.80(15) . . ?
O6 B2 O5 108.3(3) . 2_655 ?
Rb1 B3 Rb1 61.82(6) 5_666 . ?
O2 B3 Rb1 91.4(2) . . ?
O2 B3 Rb1 65.97(18) . 5_666 ?
O5 B3 Rb1 162.7(2) . 5_666 ?
O5 B3 Rb1 131.4(2) . . ?
O5 B3 O2 119.0(3) . . ?
O6 B3 Rb1 55.24(17) . 5_666 ?
O6 B3 Rb1 48.23(16) . . ?
O6 B3 O2 118.9(3) . . ?
O6 B3 O5 122.1(3) . . ?
Rb1 B4 Rb1 59.94(6) . 5_666 ?
K2 B4 Rb1 128.98(12) 4_545 . ?
K2 B4 Rb1 140.26(12) . . ?
K2 B4 Rb1 169.80(13) 4_545 5_666 ?
K2 B4 Rb1 84.45(9) . 5_666 ?
K2 B4 K2 85.47(9) . 4_545 ?
O2 B4 Rb1 57.59(17) . 5_666 ?
O2 B4 Rb1 91.35(19) . . ?
O2 B4 K2 52.15(16) . . ?
O2 B4 K2 114.3(2) . 4_545 ?
O2 B4 O3 106.8(3) . 5_666 ?
O2 B4 O7 109.9(3) . 5_666 ?
O3 B4 Rb1 157.3(2) 5_666 . ?
O3 B4 Rb1 118.6(2) 5_666 5_666 ?
O3 B4 K2 55.69(16) 5_666 4_545 ?
O3 B4 K2 54.74(16) 5_666 . ?
O7 B4 Rb1 52.46(16) 5_666 5_666 ?
O7 B4 Rb1 50.61(15) 5_666 . ?
O7 B4 K2 135.7(2) 5_666 4_545 ?
O7 B4 K2 121.3(2) 5_666 . ?
O7 B4 O3 108.9(3) 5_666 5_666 ?
O8 B4 Rb1 130.5(2) . 5_666 ?
O8 B4 Rb1 74.52(18) . . ?
O8 B4 K2 127.2(2) . . ?
O8 B4 K2 56.07(17) . 4_545 ?
O8 B4 O2 108.7(3) . . ?
O8 B4 O3 110.9(3) . 5_666 ?
O8 B4 O7 111.5(3) . 5_666 ?
Rb1 B5 Rb1 107.78(10) 1_565 5_666 ?
Rb1 B5 Rb1 57.25(6) 5_666 . ?
Rb1 B5 Rb1 144.32(12) 1_565 . ?
K2 B5 Rb1 64.31(7) 3 1_565 ?
K2 B5 Rb1 115.14(11) 3 . ?
K2 B5 Rb1 156.49(12) 3 5_666 ?
O4 B5 Rb1 52.93(17) . 1_565 ?
O4 B5 Rb1 93.0(2) . . ?
O4 B5 Rb1 91.6(2) . 5_666 ?
O4 B5 K2 65.78(18) . 3 ?
O4 B5 O9 114.1(3) . . ?
O7 B5 Rb1 45.22(17) . . ?
O7 B5 Rb1 143.9(2) . 1_565 ?
O7 B5 Rb1 40.58(16) . 5_666 ?
O7 B5 K2 151.7(3) . 3 ?
O7 B5 O4 125.8(3) . . ?
O7 B5 O9 120.1(3) . . ?
O9 B5 Rb1 75.49(19) . 1_565 ?
O9 B5 Rb1 146.8(2) . 5_666 ?
O9 B5 Rb1 136.1(2) . . ?
O9 B5 K2 55.52(17) . 3 ?
B2 O1 B2 110.2(4) . 2_655 ?
K2 O2 Rb1 107.48(8) . 5_666 ?
B3 O2 Rb1 90.3(2) . 5_666 ?
B3 O2 K2 130.5(2) . . ?
B3 O2 B4 120.0(3) . . ?
B4 O2 Rb1 99.22(19) . 5_666 ?
B4 O2 K2 102.7(2) . . ?
K2 O3 K2 109.58(8) 5_666 8_566 ?
B1 O3 K2 124.6(2) . 5_666 ?
B1 O3 K2 100.8(2) . 8_566 ?
B1 O3 B4 121.4(3) . 5_666 ?
B4 O3 K2 98.95(19) 5_666 5_666 ?
B4 O3 K2 98.23(19) 5_666 8_566 ?
Rb1 O4 K2 75.68(6) 1_565 3 ?
B2 O4 Rb1 127.80(19) . 1_565 ?
B2 O4 K2 109.63(19) . 3 ?
B5 O4 Rb1 104.8(2) . 1_565 ?
B5 O4 K2 90.0(2) . 3 ?
B5 O4 B2 126.5(3) . . ?
B2 O5 Rb1 90.71(17) 2_655 2_655 ?
B3 O5 Rb1 109.3(2) . 2_655 ?
B3 O5 B2 117.1(3) . 2_655 ?
Rb1 O6 Rb1 77.73(6) . 5_666 ?
B2 O6 Rb1 131.64(19) . 5_666 ?
B2 O6 Rb1 105.55(19) . . ?
B3 O6 Rb1 102.0(2) . 5_666 ?
B3 O6 Rb1 111.1(2) . . ?
B3 O6 B2 120.0(3) . . ?
Rb1 O7 Rb1 76.10(6) 5_666 . ?
B4 O7 Rb1 104.3(2) 5_666 . ?
B4 O7 Rb1 105.55(19) 5_666 5_666 ?
B5 O7 Rb1 116.2(2) . . ?
B5 O7 Rb1 121.5(2) . 5_666 ?
B5 O7 B4 122.9(3) . 5_666 ?
Rb1 O8 Rb1 109.83(8) 2_655 . ?
Rb1 O8 H8 70.6 . . ?
Rb1 O8 H8 94.3 2_655 . ?
K2 O8 Rb1 166.83(10) 4_545 . ?
K2 O8 Rb1 77.25(7) 4_545 2_655 ?
K2 O8 H8 98.3 4_545 . ?
B4 O8 Rb1 144.1(2) . 2_655 ?
B4 O8 Rb1 81.77(19) . . ?
B4 O8 K2 99.0(2) . 4_545 ?
B4 O8 H8 121.4 . . ?
K2 O9 Rb1 70.79(6) 3 1_565 ?
B1 O9 Rb1 154.2(2) . 1_565 ?
B1 O9 K2 118.5(2) . 3 ?
B1 O9 B5 118.2(3) . . ?
B5 O9 Rb1 80.89(19) . 1_565 ?
B5 O9 K2 99.7(2) . 3 ?
Rb1 O10 H10 98.2 7_666 . ?
K2 O10 Rb1 76.15(6) 5_676 7_666 ?
K2 O10 H10 98.2 5_676 . ?
B1 O10 Rb1 159.9(2) . 7_666 ?
B1 O10 K2 112.9(2) . 5_676 ?
B1 O10 H10 98.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rb1 B2 O1 B2 -9.2(2) . . . 2_655 ?
Rb1 B2 O4 Rb1 -166.15(13) . . . 1_565 ?
Rb1 B2 O4 K2 107.04(12) . . . 3 ?
Rb1 B2 O4 B5 1.7(4) . . . . ?
Rb1 B2 O6 Rb1 87.3(2) . . . 5_666 ?
Rb1 B2 O6 B3 -126.3(3) . . . . ?
Rb1 B3 O2 Rb1 58.10(8) . . . 5_666 ?
Rb1 B3 O2 K2 113.5(2) 5_666 . . . ?
Rb1 B3 O2 K2 171.65(17) . . . . ?
Rb1 B3 O2 B4 -100.8(3) 5_666 . . . ?
Rb1 B3 O2 B4 -42.7(3) . . . . ?
Rb1 B3 O5 Rb1 177.9(7) 5_666 . . 2_655 ?
Rb1 B3 O5 Rb1 42.0(3) . . . 2_655 ?
Rb1 B3 O5 B2 76.7(9) 5_666 . . 2_655 ?
Rb1 B3 O5 B2 -59.2(4) . . . 2_655 ?
Rb1 B3 O6 Rb1 -81.32(13) . . . 5_666 ?
Rb1 B3 O6 Rb1 81.32(13) 5_666 . . . ?
Rb1 B3 O6 B2 123.6(3) . . . . ?
Rb1 B3 O6 B2 -155.1(3) 5_666 . . . ?
Rb1 B4 O2 Rb1 -52.52(11) . . . 5_666 ?
Rb1 B4 O2 K2 -162.90(8) . . . . ?
Rb1 B4 O2 K2 -110.39(13) 5_666 . . . ?
Rb1 B4 O2 B3 43.2(3) . . . . ?
Rb1 B4 O2 B3 95.7(3) 5_666 . . . ?
Rb1 B4 O8 Rb1 23.1(2) 5_666 . . . ?
Rb1 B4 O8 Rb1 -112.6(3) . . . 2_655 ?
Rb1 B4 O8 Rb1 -89.5(4) 5_666 . . 2_655 ?
Rb1 B4 O8 K2 -170.15(19) 5_666 . . 4_545 ?
Rb1 B4 O8 K2 166.70(10) . . . 4_545 ?
Rb1 B5 O4 Rb1 168.52(8) . . . 1_565 ?
Rb1 B5 O4 Rb1 111.24(10) 5_666 . . 1_565 ?
Rb1 B5 O4 K2 -116.30(8) . . . 3 ?
Rb1 B5 O4 K2 -173.58(8) 5_666 . . 3 ?
Rb1 B5 O4 K2 75.17(9) 1_565 . . 3 ?
Rb1 B5 O4 B2 -170.1(4) 1_565 . . . ?
Rb1 B5 O4 B2 -58.9(3) 5_666 . . . ?
Rb1 B5 O4 B2 -1.6(3) . . . . ?
Rb1 B5 O7 Rb1 36.3(5) 1_565 . . 5_666 ?
Rb1 B5 O7 Rb1 -89.3(2) . . . 5_666 ?
Rb1 B5 O7 Rb1 89.3(2) 5_666 . . . ?
Rb1 B5 O7 Rb1 125.5(3) 1_565 . . . ?
Rb1 B5 O7 B4 -104.2(4) 1_565 . . 5_666 ?
Rb1 B5 O7 B4 -140.5(4) 5_666 . . 5_666 ?
Rb1 B5 O7 B4 130.3(4) . . . 5_666 ?
Rb1 B5 O9 Rb1 160.3(3) . . . 1_565 ?
Rb1 B5 O9 Rb1 -100.4(4) 5_666 . . 1_565 ?
Rb1 B5 O9 K2 91.7(3) . . . 3 ?
Rb1 B5 O9 K2 -68.56(8) 1_565 . . 3 ?
Rb1 B5 O9 K2 -169.0(3) 5_666 . . 3 ?
Rb1 B5 O9 B1 161.6(3) 1_565 . . . ?
Rb1 B5 O9 B1 61.2(5) 5_666 . . . ?
Rb1 B5 O9 B1 -38.2(5) . . . . ?
K2 B1 O3 K2 -123.2(2) 8_566 . . 5_666 ?
K2 B1 O3 B4 106.7(3) 8_566 . . 5_666 ?
K2 B1 O9 Rb1 50.9(6) 8_566 . . 1_565 ?
K2 B1 O9 K2 156.18(14) 8_566 . . 3 ?
K2 B1 O9 B5 -83.2(4) 8_566 . . . ?
K2 B1 O10 Rb1 168.2(6) 8_566 . . 7_666 ?
K2 B1 O10 K2 -78.31(15) 8_566 . . 5_676 ?
K2 B4 O2 Rb1 110.39(13) . . . 5_666 ?
K2 B4 O2 Rb1 172.96(12) 4_545 . . 5_666 ?
K2 B4 O2 K2 62.6(2) 4_545 . . . ?
K2 B4 O2 B3 -153.9(3) . . . . ?
K2 B4 O2 B3 -91.3(3) 4_545 . . . ?
K2 B4 O8 Rb1 -166.70(10) 4_545 . . . ?
K2 B4 O8 Rb1 80.7(3) 4_545 . . 2_655 ?
K2 B4 O8 Rb1 142.3(2) . . . . ?
K2 B4 O8 Rb1 29.7(5) . . . 2_655 ?
K2 B4 O8 K2 -51.0(3) . . . 4_545 ?
K2 B5 O4 Rb1 -75.17(9) 3 . . 1_565 ?
K2 B5 O4 B2 114.7(3) 3 . . . ?
K2 B5 O7 Rb1 -143.7(4) 3 . . 5_666 ?
K2 B5 O7 Rb1 -54.4(6) 3 . . . ?
K2 B5 O7 B4 75.9(6) 3 . . 5_666 ?
K2 B5 O9 Rb1 68.56(8) 3 . . 1_565 ?
K2 B5 O9 B1 -129.9(3) 3 . . . ?
O1 B2 O4 Rb1 9.4(4) . . . 1_565 ?
O1 B2 O4 K2 -77.4(3) . . . 3 ?
O1 B2 O4 B5 177.3(3) . . . . ?
O1 B2 O6 Rb1 149.6(2) . . . . ?
O1 B2 O6 Rb1 -123.1(2) . . . 5_666 ?
O1 B2 O6 B3 23.4(4) . . . . ?
O2 B3 O5 Rb1 -79.8(3) . . . 2_655 ?
O2 B3 O5 B2 179.0(3) . . . 2_655 ?
O2 B3 O6 Rb1 -18.4(3) . . . 5_666 ?
O2 B3 O6 Rb1 63.0(3) . . . . ?
O2 B3 O6 B2 -173.4(3) . . . . ?
O2 B4 O8 Rb1 -26.5(5) . . . 2_655 ?
O2 B4 O8 Rb1 86.1(2) . . . . ?
O2 B4 O8 K2 -107.2(2) . . . 4_545 ?
O3 B1 O9 Rb1 119.3(4) . . . 1_565 ?
O3 B1 O9 K2 -135.5(3) . . . 3 ?
O3 B1 O9 B5 -14.9(5) . . . . ?
O3 B1 O10 Rb1 119.5(6) . . . 7_666 ?
O3 B1 O10 K2 -127.1(3) . . . 5_676 ?
O3 B4 O2 Rb1 113.6(2) 5_666 . . 5_666 ?
O3 B4 O2 K2 3.2(3) 5_666 . . . ?
O3 B4 O2 B3 -150.7(3) 5_666 . . . ?
O3 B4 O8 Rb1 90.6(4) 5_666 . . 2_655 ?
O3 B4 O8 Rb1 -156.7(3) 5_666 . . . ?
O3 B4 O8 K2 10.0(3) 5_666 . . 4_545 ?
O4 B2 O1 B2 179.0(3) . . . 2_655 ?
O4 B2 O6 Rb1 -86.5(3) . . . . ?
O4 B2 O6 Rb1 0.8(4) . . . 5_666 ?
O4 B2 O6 B3 147.3(3) . . . . ?
O4 B5 O7 Rb1 -37.9(5) . . . 5_666 ?
O4 B5 O7 Rb1 51.4(4) . . . . ?
O4 B5 O7 B4 -178.3(3) . . . 5_666 ?
O4 B5 O9 Rb1 37.1(3) . . . 1_565 ?
O4 B5 O9 K2 -31.5(3) . . . 3 ?
O4 B5 O9 B1 -161.4(3) . . . . ?
O5 B2 O1 B2 61.9(2) 2_655 . . 2_655 ?
O5 B2 O4 Rb1 128.0(2) 2_655 . . 1_565 ?
O5 B2 O4 K2 41.1(3) 2_655 . . 3 ?
O5 B2 O4 B5 -64.2(4) 2_655 . . . ?
O5 B2 O6 Rb1 117.5(2) 2_655 . . 5_666 ?
O5 B2 O6 Rb1 30.3(3) 2_655 . . . ?
O5 B2 O6 B3 -96.0(3) 2_655 . . . ?
O5 B3 O2 Rb1 -161.5(3) . . . 5_666 ?
O5 B3 O2 K2 -47.9(4) . . . . ?
O5 B3 O2 B4 97.7(4) . . . . ?
O5 B3 O6 Rb1 159.5(3) . . . 5_666 ?
O5 B3 O6 Rb1 -119.2(3) . . . . ?
O5 B3 O6 B2 4.5(5) . . . . ?
O6 B2 O1 B2 -56.9(2) . . . 2_655 ?
O6 B2 O4 Rb1 -114.2(2) . . . 1_565 ?
O6 B2 O4 K2 159.0(2) . . . 3 ?
O6 B2 O4 B5 53.6(4) . . . . ?
O6 B3 O2 Rb1 16.5(3) . . . 5_666 ?
O6 B3 O2 K2 130.0(3) . . . . ?
O6 B3 O2 B4 -84.4(4) . . . . ?
O6 B3 O5 Rb1 102.3(3) . . . 2_655 ?
O6 B3 O5 B2 1.1(5) . . . 2_655 ?
O7 B4 O2 Rb1 -4.3(3) 5_666 . . 5_666 ?
O7 B4 O2 K2 -114.7(2) 5_666 . . . ?
O7 B4 O2 B3 91.4(4) 5_666 . . . ?
O7 B4 O8 Rb1 -35.2(2) 5_666 . . . ?
O7 B4 O8 Rb1 -147.8(3) 5_666 . . 2_655 ?
O7 B4 O8 K2 131.5(2) 5_666 . . 4_545 ?
O7 B5 O4 Rb1 134.8(3) . . . 1_565 ?
O7 B5 O4 K2 -150.0(4) . . . 3 ?
O7 B5 O4 B2 -35.3(6) . . . . ?
O7 B5 O9 Rb1 -144.6(3) . . . 1_565 ?
O7 B5 O9 K2 146.8(3) . . . 3 ?
O7 B5 O9 B1 17.0(5) . . . . ?
O8 B4 O2 Rb1 -126.6(2) . . . 5_666 ?
O8 B4 O2 K2 123.0(2) . . . . ?
O8 B4 O2 B3 -30.9(4) . . . . ?
O9 B1 O3 K2 122.5(3) . . . 5_666 ?
O9 B1 O3 K2 -114.4(3) . . . 8_566 ?
O9 B1 O3 B4 -7.6(5) . . . 5_666 ?
O9 B1 O10 Rb1 -60.9(8) . . . 7_666 ?
O9 B1 O10 K2 52.6(4) . . . 5_676 ?
O9 B5 O4 Rb1 -47.0(3) . . . 1_565 ?
O9 B5 O4 K2 28.2(3) . . . 3 ?
O9 B5 O4 B2 142.9(3) . . . . ?
O9 B5 O7 Rb1 -126.7(3) . . . . ?
O9 B5 O7 Rb1 144.0(3) . . . 5_666 ?
O9 B5 O7 B4 3.5(5) . . . 5_666 ?
O10 B1 O3 K2 -57.8(4) . . . 5_666 ?
O10 B1 O3 K2 65.3(4) . . . 8_566 ?
O10 B1 O3 B4 172.1(3) . . . 5_666 ?
O10 B1 O9 Rb1 -60.4(6) . . . 1_565 ?
O10 B1 O9 K2 44.9(4) . . . 3 ?
O10 B1 O9 B5 165.4(3) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
