# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_krbnocl
_database_code_depnum_ccdc_archive 'CCDC 2293148'
loop_
_audit_author_name
_audit_author_address
'zhiyuan zhang'
;Yili Normal University
China
;
_audit_update_record             
;
2023-09-06 deposited with the CCDC.	2023-09-29 downloaded from the CCDC.
;
_audit_creation_date             2023-08-31
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        1
_chemical_formula_moiety         'Cl K N2 O6 Rb2'
_chemical_formula_sum            'Cl K N2 O6 Rb2'
_chemical_formula_weight         369.51
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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           55
_space_group_name_H-M_alt        'P b a m'
_space_group_name_Hall           '-P 2 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'x-1/2, -y-1/2, z'
'-x-1/2, y-1/2, z'

_cell_length_a                   12.1863(6)
_cell_length_b                   12.4072(7)
_cell_length_c                   5.8203(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     880.02(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    161
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      16.35
_cell_measurement_theta_min      4.31
_shelx_estimated_absorpt_T_max   0.269
_shelx_estimated_absorpt_T_min   0.237
_exptl_absorpt_coefficient_mu    11.892
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6344
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   ?
_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    2.789
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0544
_diffrn_reflns_av_unetI/netI     0.0306
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            6869
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.492
_diffrn_reflns_theta_min         2.343
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                978
_reflns_number_total             1092
_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 V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.843
_refine_diff_density_min         -0.426
_refine_diff_density_rms         0.105
_refine_ls_extinction_coef       0.0089(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     68
_refine_ls_number_reflns         1092
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0323
_refine_ls_R_factor_gt           0.0277
_refine_ls_restrained_S_all      1.111
_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)+(0.0303P)²+1.3334P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0691
_refine_ls_wR_factor_ref         0.0719
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_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
Rb1 Rb 0.16288(4) 0.47777(4) 0.000000 0.02748(19) Uani 1 2 d S T P . .
Rb2 Rb 0.49043(4) 0.33626(4) 0.000000 0.02988(19) Uani 1 2 d S T P . .
K1 K 0.26824(9) 0.19265(9) 0.500000 0.0270(3) Uani 1 2 d S T P . .
Cl1 Cl 0.24576(9) 0.23286(10) 0.000000 0.0241(3) Uani 1 2 d S T P . .
O1 O 0.3591(2) 0.5096(2) 0.3139(5) 0.0377(7) Uani 1 1 d . . . . .
O3 O 0.4804(2) 0.1278(2) 0.6870(5) 0.0394(7) Uani 1 1 d . . . . .
O2 O 0.4160(3) 0.3697(3) 0.500000 0.0388(9) Uani 1 2 d S T P . .
N1 N 0.3784(3) 0.4629(3) 0.500000 0.0241(8) Uani 1 2 d S T P . .
N2 N 0.5313(4) 0.1216(3) 0.500000 0.0289(9) Uani 1 2 d S T P . .
O4 O 0.6329(3) 0.1074(4) 0.500000 0.0480(11) Uani 1 2 d S T P . .


_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 Cl1 3.2020(13) . ?
Rb1 Cl1 3.3551(13) 3 ?
Rb1 O1 3.035(3) . ?
Rb1 O1 3.035(3) 6 ?
Rb1 O3 3.159(3) 4_456 ?
Rb1 O3 3.136(3) 3_556 ?
Rb1 O3 3.136(3) 8_664 ?
Rb1 O3 3.159(3) 7_564 ?
Rb1 N2 3.544(3) 7_565 ?
Rb1 N2 3.544(3) 7_564 ?
Rb1 O4 3.1176(18) 7_564 ?
Rb1 O4 3.1176(18) 7_565 ?
Rb2 Rb2 0.0000(14) 6 ?
Rb2 Cl1 3.2460(12) . ?
Rb2 Cl1 3.2275(12) 7_665 ?
Rb2 O1 3.218(3) 2_665 ?
Rb2 O1 3.244(3) 6 ?
Rb2 O1 3.244(3) . ?
Rb2 O1 3.218(3) 5_665 ?
Rb2 O3 3.166(3) 6_556 ?
Rb2 O3 3.166(3) 1_554 ?
Rb2 O2 3.0763(13) . ?
Rb2 O2 3.0764(13) 1_554 ?
Rb2 N1 3.578(2) 1_554 ?
K1 K1 0.000(3) 6_556 ?
K1 Cl1 2.9653(3) 1_556 ?
K1 Cl1 2.9653(3) . ?
K1 O1 2.956(3) 3_546 ?
K1 O1 2.956(3) 8_655 ?
K1 O3 2.918(3) . ?
K1 O3 2.918(3) 6_556 ?
K1 O2 2.841(4) . ?
K1 N1 3.365(4) 3_546 ?
K1 O4 2.979(5) 7_565 ?
O1 N1 1.251(3) . ?
O3 N2 1.255(3) . ?
O3 N2 1.255(3) 6_556 ?
O2 N1 1.243(5) . ?
N2 N2 0.000(12) 6_556 ?
N2 O4 1.250(6) . ?

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
Cl1 Rb1 Cl1 142.235(17) . 3 ?
Cl1 Rb1 N2 118.57(6) 3 7_564 ?
Cl1 Rb1 N2 79.20(7) . 7_565 ?
Cl1 Rb1 N2 79.20(7) . 7_564 ?
Cl1 Rb1 N2 118.57(6) 3 7_565 ?
O1 Rb1 Cl1 82.83(6) 6 . ?
O1 Rb1 Cl1 67.40(5) 6 3 ?
O1 Rb1 Cl1 82.83(6) . . ?
O1 Rb1 Cl1 67.40(5) . 3 ?
O1 Rb1 O1 74.02(11) 6 . ?
O1 Rb1 O3 135.32(7) 6 3_556 ?
O1 Rb1 O3 105.15(8) 6 7_564 ?
O1 Rb1 O3 162.88(8) . 7_564 ?
O1 Rb1 O3 90.67(8) 6 8_664 ?
O1 Rb1 O3 135.32(7) . 8_664 ?
O1 Rb1 O3 162.88(8) 6 4_456 ?
O1 Rb1 O3 105.15(8) . 4_456 ?
O1 Rb1 O3 90.67(8) . 3_556 ?
O1 Rb1 N2 153.64(9) 6 7_565 ?
O1 Rb1 N2 153.64(9) . 7_564 ?
O1 Rb1 N2 84.69(8) 6 7_564 ?
O1 Rb1 N2 84.69(8) . 7_565 ?
O1 Rb1 O4 134.30(9) . 7_564 ?
O1 Rb1 O4 64.83(9) 6 7_564 ?
O1 Rb1 O4 134.30(9) 6 7_565 ?
O1 Rb1 O4 64.83(9) . 7_565 ?
O3 Rb1 Cl1 137.64(5) 3_556 . ?
O3 Rb1 Cl1 128.66(6) 7_564 3 ?
O3 Rb1 Cl1 80.12(6) 4_456 . ?
O3 Rb1 Cl1 137.64(5) 8_664 . ?
O3 Rb1 Cl1 128.66(6) 4_456 3 ?
O3 Rb1 Cl1 67.96(5) 3_556 3 ?
O3 Rb1 Cl1 80.12(6) 7_564 . ?
O3 Rb1 Cl1 67.96(5) 8_664 3 ?
O3 Rb1 O3 61.26(10) 3_556 4_456 ?
O3 Rb1 O3 71.04(11) 3_556 8_664 ?
O3 Rb1 O3 61.26(10) 8_664 7_564 ?
O3 Rb1 O3 100.91(7) 8_664 4_456 ?
O3 Rb1 O3 100.91(7) 3_556 7_564 ?
O3 Rb1 O3 70.44(10) 7_564 4_456 ?
O3 Rb1 N2 20.56(8) 7_564 7_564 ?
O3 Rb1 N2 90.63(8) 7_564 7_565 ?
O3 Rb1 N2 115.57(9) 3_556 7_564 ?
O3 Rb1 N2 90.63(8) 4_456 7_564 ?
O3 Rb1 N2 20.56(8) 4_456 7_565 ?
O3 Rb1 N2 58.50(8) 3_556 7_565 ?
O3 Rb1 N2 58.50(8) 8_664 7_564 ?
O3 Rb1 N2 115.57(9) 8_664 7_565 ?
N2 Rb1 N2 110.41(12) 7_564 7_565 ?
O4 Rb1 Cl1 111.02(9) 7_564 3 ?
O4 Rb1 Cl1 73.46(9) 7_564 . ?
O4 Rb1 Cl1 111.02(9) 7_565 3 ?
O4 Rb1 Cl1 73.46(9) 7_565 . ?
O4 Rb1 O3 108.38(9) 7_564 4_456 ?
O4 Rb1 O3 132.71(9) 7_565 8_664 ?
O4 Rb1 O3 40.41(9) 7_564 7_564 ?
O4 Rb1 O3 40.41(9) 7_565 4_456 ?
O4 Rb1 O3 66.02(10) 7_565 3_556 ?
O4 Rb1 O3 108.38(9) 7_565 7_564 ?
O4 Rb1 O3 66.02(10) 7_564 8_664 ?
O4 Rb1 O3 132.71(9) 7_564 3_556 ?
O4 Rb1 N2 126.56(10) 7_565 7_564 ?
O4 Rb1 N2 20.37(9) 7_564 7_564 ?
O4 Rb1 N2 126.56(10) 7_564 7_565 ?
O4 Rb1 N2 20.37(9) 7_565 7_565 ?
O4 Rb1 O4 137.96(18) 7_564 7_565 ?
Rb2 Rb2 Cl1 0(10) 6 . ?
Rb2 Rb2 Cl1 0(8) 6 7_665 ?
Rb2 Rb2 O1 0(10) 6 6 ?
Rb2 Rb2 O1 0(10) 6 2_665 ?
Rb2 Rb2 O1 0(10) 6 . ?
Rb2 Rb2 O1 0(10) 6 5_665 ?
Rb2 Rb2 O3 0(10) 6 1_554 ?
Rb2 Rb2 O3 0(10) 6 6_556 ?
Rb2 Rb2 O2 0(10) 6 . ?
Rb2 Rb2 O2 0(10) 6 1_554 ?
Rb2 Rb2 N1 0(10) 6 1_554 ?
Cl1 Rb2 Cl1 141.310(18) 7_665 . ?
Cl1 Rb2 O1 130.68(5) 7_665 6 ?
Cl1 Rb2 O1 130.68(5) 7_665 . ?
Cl1 Rb2 N1 79.81(6) . 1_554 ?
Cl1 Rb2 N1 118.98(6) 7_665 1_554 ?
O1 Rb2 Cl1 139.31(5) 2_665 . ?
O1 Rb2 Cl1 78.98(5) 6 . ?
O1 Rb2 Cl1 66.95(5) 2_665 7_665 ?
O1 Rb2 Cl1 78.98(6) . . ?
O1 Rb2 Cl1 139.31(5) 5_665 . ?
O1 Rb2 Cl1 66.95(5) 5_665 7_665 ?
O1 Rb2 O1 101.94(7) 2_665 6 ?
O1 Rb2 O1 101.94(7) 5_665 . ?
O1 Rb2 O1 64.38(9) 2_665 . ?
O1 Rb2 O1 64.38(9) 5_665 6 ?
O1 Rb2 O1 68.53(9) . 6 ?
O1 Rb2 O1 69.17(10) 2_665 5_665 ?
O1 Rb2 N1 114.72(8) 2_665 1_554 ?
O1 Rb2 N1 59.65(8) 5_665 1_554 ?
O1 Rb2 N1 88.77(7) . 1_554 ?
O1 Rb2 N1 20.39(7) 6 1_554 ?
O3 Rb2 Cl1 69.01(5) 1_554 . ?
O3 Rb2 Cl1 79.63(5) 6_556 7_665 ?
O3 Rb2 Cl1 69.01(5) 6_556 . ?
O3 Rb2 Cl1 79.63(5) 1_554 7_665 ?
O3 Rb2 O1 101.45(7) 6_556 . ?
O3 Rb2 O1 147.85(7) 6_556 6 ?
O3 Rb2 O1 100.40(7) 1_554 5_665 ?
O3 Rb2 O1 101.45(7) 1_554 6 ?
O3 Rb2 O1 100.40(7) 6_556 2_665 ?
O3 Rb2 O1 146.51(8) 6_556 5_665 ?
O3 Rb2 O1 147.85(7) 1_554 . ?
O3 Rb2 O1 146.51(8) 1_554 2_665 ?
O3 Rb2 O3 70.27(10) 1_554 6_556 ?
O3 Rb2 N1 144.31(8) 6_556 1_554 ?
O3 Rb2 N1 82.87(8) 1_554 1_554 ?
O2 Rb2 Cl1 108.67(7) 1_554 7_665 ?
O2 Rb2 Cl1 77.44(8) 1_554 . ?
O2 Rb2 Cl1 77.44(8) . . ?
O2 Rb2 Cl1 108.67(7) . 7_665 ?
O2 Rb2 O1 63.31(9) . 2_665 ?
O2 Rb2 O1 39.87(8) 1_554 6 ?
O2 Rb2 O1 128.67(9) 1_554 2_665 ?
O2 Rb2 O1 128.67(9) . 5_665 ?
O2 Rb2 O1 63.31(9) 1_554 5_665 ?
O2 Rb2 O1 107.32(8) . 6 ?
O2 Rb2 O1 39.86(8) . . ?
O2 Rb2 O1 107.32(8) 1_554 . ?
O2 Rb2 O3 130.04(9) . 1_554 ?
O2 Rb2 O3 130.04(9) 1_554 6_556 ?
O2 Rb2 O3 63.54(9) 1_554 1_554 ?
O2 Rb2 O3 63.54(9) . 6_556 ?
O2 Rb2 O2 142.16(14) . 1_554 ?
O2 Rb2 N1 126.71(9) . 1_554 ?
O2 Rb2 N1 19.75(9) 1_554 1_554 ?
Rb1 K1 Rb1 92.31(3) 3_545 3_546 ?
K1 K1 Rb1 0(10) 6_556 3_545 ?
K1 K1 Rb1 0(10) 6_556 3_546 ?
K1 K1 Cl1 0(10) 6_556 . ?
K1 K1 Cl1 0(10) 6_556 1_556 ?
K1 K1 O1 0(10) 6_556 3_546 ?
K1 K1 O1 0(10) 6_556 8_655 ?
K1 K1 O3 0(10) 6_556 . ?
K1 K1 O3 0(10) 6_556 6_556 ?
K1 K1 O2 0(10) 6_556 . ?
K1 K1 N1 0(10) 6_556 3_546 ?
K1 K1 O4 0(10) 6_556 7_565 ?
Cl1 K1 Rb1 146.95(4) 1_556 3_545 ?
Cl1 K1 Rb1 146.95(4) . 3_546 ?
Cl1 K1 Rb1 54.73(2) 1_556 3_546 ?
Cl1 K1 Rb1 54.73(2) . 3_545 ?
Cl1 K1 Cl1 157.87(6) 1_556 . ?
Cl1 K1 N1 95.36(3) . 3_546 ?
Cl1 K1 N1 95.36(3) 1_556 3_546 ?
Cl1 K1 O4 78.97(3) 1_556 7_565 ?
Cl1 K1 O4 78.97(3) . 7_565 ?
O1 K1 Rb1 48.49(6) 3_546 3_546 ?
O1 K1 Rb1 82.30(6) 8_655 3_546 ?
O1 K1 Rb1 82.30(6) 3_546 3_545 ?
O1 K1 Rb1 48.49(6) 8_655 3_545 ?
O1 K1 Cl1 116.13(6) 3_546 . ?
O1 K1 Cl1 73.80(6) 8_655 . ?
O1 K1 Cl1 73.80(6) 3_546 1_556 ?
O1 K1 Cl1 116.13(6) 8_655 1_556 ?
O1 K1 O1 43.00(10) 8_655 3_546 ?
O1 K1 N1 21.61(5) 3_546 3_546 ?
O1 K1 N1 21.61(5) 8_655 3_546 ?
O1 K1 O4 110.43(10) 8_655 7_565 ?
O1 K1 O4 110.43(10) 3_546 7_565 ?
O3 K1 Rb1 84.40(6) 6_556 3_546 ?
O3 K1 Rb1 84.40(6) . 3_545 ?
O3 K1 Rb1 50.56(6) . 3_546 ?
O3 K1 Rb1 50.56(6) 6_556 3_545 ?
O3 K1 Cl1 119.61(6) 6_556 1_556 ?
O3 K1 Cl1 76.25(6) . 1_556 ?
O3 K1 Cl1 119.61(6) . . ?
O3 K1 Cl1 76.25(6) 6_556 . ?
O3 K1 O1 96.70(8) 6_556 8_655 ?
O3 K1 O1 112.96(9) 6_556 3_546 ?
O3 K1 O1 112.95(9) . 8_655 ?
O3 K1 O1 96.70(8) . 3_546 ?
O3 K1 O3 43.78(11) . 6_556 ?
O3 K1 N1 103.72(9) 6_556 3_546 ?
O3 K1 N1 103.72(9) . 3_546 ?
O3 K1 O4 136.06(10) . 7_565 ?
O3 K1 O4 136.06(10) 6_556 7_565 ?
O2 K1 Rb1 112.28(6) . 3_546 ?
O2 K1 Rb1 112.28(6) . 3_545 ?
O2 K1 Cl1 85.90(3) . 1_556 ?
O2 K1 Cl1 85.90(3) . . ?
O2 K1 O1 157.95(6) . 8_655 ?
O2 K1 O1 157.95(6) . 3_546 ?
O2 K1 O3 69.61(10) . 6_556 ?
O2 K1 O3 69.61(10) . . ?
O2 K1 N1 172.75(11) . 3_546 ?
O2 K1 O4 72.96(12) . 7_565 ?
N1 K1 Rb1 63.30(4) 3_546 3_545 ?
N1 K1 Rb1 63.30(4) 3_546 3_546 ?
O4 K1 Rb1 131.71(3) 7_565 3_545 ?
O4 K1 Rb1 131.71(3) 7_565 3_546 ?
O4 K1 N1 114.30(11) 7_565 3_546 ?
Rb1 Cl1 Rb1 179.00(4) . 3_545 ?
Rb1 Cl1 Rb2 87.03(3) . 7_565 ?
Rb1 Cl1 Rb2 85.10(3) . 6 ?
Rb1 Cl1 Rb2 85.10(3) . . ?
Rb2 Cl1 Rb1 93.90(3) 6 3_545 ?
Rb2 Cl1 Rb1 93.90(3) . 3_545 ?
Rb2 Cl1 Rb1 93.97(3) 7_565 3_545 ?
Rb2 Cl1 Rb2 172.13(4) 7_565 6 ?
Rb2 Cl1 Rb2 0.000(18) . 6 ?
Rb2 Cl1 Rb2 172.13(4) 7_565 . ?
K1 Cl1 Rb1 100.88(3) 6 . ?
K1 Cl1 Rb1 100.88(3) 6_556 . ?
K1 Cl1 Rb1 79.08(3) 1_554 3_545 ?
K1 Cl1 Rb1 79.08(3) 6_556 3_545 ?
K1 Cl1 Rb1 79.08(3) 6 3_545 ?
K1 Cl1 Rb1 100.88(3) . . ?
K1 Cl1 Rb1 100.88(3) 1_554 . ?
K1 Cl1 Rb1 79.08(3) . 3_545 ?
K1 Cl1 Rb2 88.95(3) 6 . ?
K1 Cl1 Rb2 88.95(3) . . ?
K1 Cl1 Rb2 92.54(3) . 7_565 ?
K1 Cl1 Rb2 92.54(3) 1_554 7_565 ?
K1 Cl1 Rb2 92.54(3) 6_556 7_565 ?
K1 Cl1 Rb2 88.95(3) 1_554 . ?
K1 Cl1 Rb2 88.95(3) 6_556 . ?
K1 Cl1 Rb2 88.95(3) 6 6 ?
K1 Cl1 Rb2 92.54(3) 6 7_565 ?
K1 Cl1 Rb2 88.95(3) 6_556 6 ?
K1 Cl1 Rb2 88.95(3) . 6 ?
K1 Cl1 Rb2 88.95(3) 1_554 6 ?
K1 Cl1 K1 157.87(6) 1_554 . ?
K1 Cl1 K1 157.87(6) 6 . ?
K1 Cl1 K1 157.87(6) 6 6_556 ?
K1 Cl1 K1 157.87(6) 1_554 6_556 ?
K1 Cl1 K1 0.00(4) 6 1_554 ?
K1 Cl1 K1 0.00(6) 6_556 . ?
Rb1 O1 Rb2 87.90(7) . . ?
Rb1 O1 Rb2 87.90(7) . 6 ?
Rb1 O1 Rb2 100.64(8) . 5_665 ?
Rb2 O1 Rb2 78.06(7) 5_665 6 ?
Rb2 O1 Rb2 0.00(2) . 6 ?
Rb2 O1 Rb2 78.06(7) 5_665 . ?
K1 O1 Rb1 84.67(7) 3_556 . ?
K1 O1 Rb2 167.07(10) 3_556 . ?
K1 O1 Rb2 167.07(10) 3_556 6 ?
K1 O1 Rb2 92.91(8) 3_556 5_665 ?
N1 O1 Rb1 127.5(3) . . ?
N1 O1 Rb2 131.3(3) . 5_665 ?
N1 O1 Rb2 95.0(2) . 6 ?
N1 O1 Rb2 95.0(2) . . ?
N1 O1 K1 97.9(2) . 3_556 ?
Rb1 O3 Rb1 79.09(7) 3_546 7_666 ?
Rb1 O3 Rb2 99.91(7) 3_546 1_556 ?
Rb1 O3 Rb2 88.84(7) 7_666 6_556 ?
Rb1 O3 Rb2 99.91(7) 3_546 6_556 ?
Rb1 O3 Rb2 88.84(7) 7_666 1_556 ?
Rb2 O3 Rb2 0.00(2) 6_556 1_556 ?
K1 O3 Rb1 162.36(11) . 7_666 ?
K1 O3 Rb1 162.36(11) 6_556 7_666 ?
K1 O3 Rb1 83.50(7) 6_556 3_546 ?
K1 O3 Rb1 83.50(7) . 3_546 ?
K1 O3 Rb2 91.35(8) 6_556 6_556 ?
K1 O3 Rb2 91.35(8) . 1_556 ?
K1 O3 Rb2 91.35(8) 6_556 1_556 ?
K1 O3 Rb2 91.35(8) . 6_556 ?
K1 O3 K1 0.00(2) 6_556 . ?
N2 O3 Rb1 97.3(2) 6_556 7_666 ?
N2 O3 Rb1 97.3(2) . 7_666 ?
N2 O3 Rb1 137.9(3) 6_556 3_546 ?
N2 O3 Rb1 137.9(3) . 3_546 ?
N2 O3 Rb2 122.0(3) 6_556 1_556 ?
N2 O3 Rb2 122.0(3) . 6_556 ?
N2 O3 Rb2 122.0(3) 6_556 6_556 ?
N2 O3 Rb2 122.0(3) . 1_556 ?
N2 O3 K1 97.6(2) . . ?
N2 O3 K1 97.6(2) . 6_556 ?
N2 O3 K1 97.6(2) 6_556 6_556 ?
N2 O3 K1 97.6(2) 6_556 . ?
N2 O3 N2 0.0(4) 6_556 . ?
Rb2 O2 Rb2 142.16(14) 1_556 6 ?
Rb2 O2 Rb2 142.16(14) 6_556 6 ?
Rb2 O2 Rb2 142.16(14) 1_556 . ?
Rb2 O2 Rb2 142.16(14) 6_556 . ?
Rb2 O2 Rb2 0.000(19) 6 . ?
Rb2 O2 Rb2 0.000(19) 6_556 1_556 ?
K1 O2 Rb2 94.73(8) . 1_556 ?
K1 O2 Rb2 94.73(8) 6_556 1_556 ?
K1 O2 Rb2 94.73(8) . . ?
K1 O2 Rb2 94.73(8) 6_556 6 ?
K1 O2 Rb2 94.73(8) 6_556 . ?
K1 O2 Rb2 94.73(8) . 6 ?
K1 O2 Rb2 94.73(8) 6_556 6_556 ?
K1 O2 Rb2 94.73(8) . 6_556 ?
K1 O2 K1 0.00(3) 6_556 . ?
N1 O2 Rb2 103.54(10) . . ?
N1 O2 Rb2 103.54(10) . 1_556 ?
N1 O2 Rb2 103.54(10) . 6_556 ?
N1 O2 Rb2 103.54(10) . 6 ?
N1 O2 K1 119.0(3) . 6_556 ?
N1 O2 K1 119.0(3) . . ?
O1 N1 K1 60.5(2) . 3_556 ?
O1 N1 K1 60.5(2) 6_556 3_556 ?
O1 N1 O1 120.0(4) . 6_556 ?
O2 N1 K1 169.5(3) . 3_556 ?
O2 N1 O1 120.0(2) . 6_556 ?
O2 N1 O1 120.0(2) . . ?
Rb1 N2 Rb1 110.41(12) 7_666 7_665 ?
K1 N2 Rb1 121.90(7) 6_556 7_665 ?
K1 N2 Rb1 121.90(7) 6_556 7_666 ?
O3 N2 Rb1 62.16(18) . 7_666 ?
O3 N2 Rb1 163.2(3) . 7_665 ?
O3 N2 Rb1 163.2(3) 6_556 7_666 ?
O3 N2 Rb1 62.16(18) 6_556 7_665 ?
O3 N2 K1 60.5(2) . 6_556 ?
O3 N2 K1 60.5(2) 6_556 6_556 ?
O3 N2 O3 120.2(5) 6_556 . ?
N2 N2 Rb1 0(10) 6_556 7_665 ?
N2 N2 Rb1 0(10) 6_556 7_666 ?
N2 N2 K1 0(10) 6_556 6_556 ?
N2 N2 O3 0(10) 6_556 . ?
N2 N2 O3 0(10) 6_556 6_556 ?
N2 N2 O4 0(10) 6_556 . ?
O4 N2 Rb1 60.21(11) . 7_665 ?
O4 N2 Rb1 60.21(11) . 7_666 ?
O4 N2 K1 172.7(4) . 6_556 ?
O4 N2 O3 119.9(2) . . ?
O4 N2 O3 119.9(2) . 6_556 ?
Rb1 O4 Rb1 137.96(18) 7_665 7_666 ?
K1 O4 Rb1 102.56(8) 7_665 7_666 ?
K1 O4 Rb1 102.56(8) 7_665 7_665 ?
N2 O4 Rb1 99.42(12) 6_556 7_666 ?
N2 O4 Rb1 99.42(12) . 7_666 ?
N2 O4 Rb1 99.42(12) . 7_665 ?
N2 O4 Rb1 99.42(12) 6_556 7_665 ?
N2 O4 K1 115.5(4) 6_556 7_665 ?
N2 O4 K1 115.5(4) . 7_665 ?
N2 O4 N2 0.00(6) 6_556 . ?

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 O1 N1 K1 -89.3(2) . . . 3_556 ?
Rb1 O1 N1 O1 -100.8(4) . . . 6_556 ?
Rb1 O1 N1 O2 78.6(5) . . . . ?
Rb1 O3 N2 Rb1 -81.8(3) 3_546 . . 7_666 ?
Rb1 O3 N2 Rb1 -14.3(12) 3_546 . . 7_665 ?
Rb1 O3 N2 Rb1 67.4(10) 7_666 . . 7_665 ?
Rb1 O3 N2 K1 88.7(3) 3_546 . . 6_556 ?
Rb1 O3 N2 K1 170.43(16) 7_666 . . 6_556 ?
Rb1 O3 N2 O3 79.2(6) 3_546 . . 6_556 ?
Rb1 O3 N2 O3 160.9(4) 7_666 . . 6_556 ?
Rb1 O3 N2 N2 0.00(14) 7_666 . . 6_556 ?
Rb1 O3 N2 N2 0.00(10) 3_546 . . 6_556 ?
Rb1 O3 N2 O4 -18.0(5) 7_666 . . . ?
Rb1 O3 N2 O4 -99.7(5) 3_546 . . . ?
Rb1 N2 O4 Rb1 -142.2(3) 7_665 . . 7_666 ?
Rb1 N2 O4 Rb1 142.2(3) 7_666 . . 7_665 ?
Rb1 N2 O4 K1 108.88(13) 7_665 . . 7_665 ?
Rb1 N2 O4 K1 -108.88(13) 7_666 . . 7_665 ?
Rb1 N2 O4 N2 0(100) 7_665 . . 6_556 ?
Rb1 N2 O4 N2 0(100) 7_666 . . 6_556 ?
Rb2 O1 N1 K1 179.46(15) 6 . . 3_556 ?
Rb2 O1 N1 K1 179.46(15) . . . 3_556 ?
Rb2 O1 N1 K1 101.0(3) 5_665 . . 3_556 ?
Rb2 O1 N1 O1 168.0(3) . . . 6_556 ?
Rb2 O1 N1 O1 89.5(5) 5_665 . . 6_556 ?
Rb2 O1 N1 O1 168.0(3) 6 . . 6_556 ?
Rb2 O1 N1 O2 -91.1(5) 5_665 . . . ?
Rb2 O1 N1 O2 -12.6(4) 6 . . . ?
Rb2 O1 N1 O2 -12.6(4) . . . . ?
Rb2 O3 N2 Rb1 160.6(8) 6_556 . . 7_665 ?
Rb2 O3 N2 Rb1 93.2(2) 1_556 . . 7_666 ?
Rb2 O3 N2 Rb1 93.2(2) 6_556 . . 7_666 ?
Rb2 O3 N2 Rb1 160.6(8) 1_556 . . 7_665 ?
Rb2 O3 N2 K1 -96.4(2) 6_556 . . 6_556 ?
Rb2 O3 N2 K1 -96.4(2) 1_556 . . 6_556 ?
Rb2 O3 N2 O3 -105.9(4) 1_556 . . 6_556 ?
Rb2 O3 N2 O3 -105.9(4) 6_556 . . 6_556 ?
Rb2 O3 N2 N2 0.0(2) 1_556 . . 6_556 ?
Rb2 O3 N2 N2 0.0(2) 6_556 . . 6_556 ?
Rb2 O3 N2 O4 75.2(5) 1_556 . . . ?
Rb2 O3 N2 O4 75.2(5) 6_556 . . . ?
Rb2 O2 N1 K1 103.34(13) 6 . . 3_556 ?
Rb2 O2 N1 K1 -103.34(13) 1_556 . . 3_556 ?
Rb2 O2 N1 K1 103.34(13) . . . 3_556 ?
Rb2 O2 N1 K1 -103.34(13) 6_556 . . 3_556 ?
Rb2 O2 N1 O1 13.6(5) 6 . . . ?
Rb2 O2 N1 O1 -13.6(5) 1_556 . . 6_556 ?
Rb2 O2 N1 O1 166.9(3) 1_556 . . . ?
Rb2 O2 N1 O1 -166.9(3) . . . 6_556 ?
Rb2 O2 N1 O1 -166.9(3) 6 . . 6_556 ?
Rb2 O2 N1 O1 166.9(3) 6_556 . . . ?
Rb2 O2 N1 O1 -13.6(5) 6_556 . . 6_556 ?
Rb2 O2 N1 O1 13.6(5) . . . . ?
K1 O1 N1 O1 -11.5(5) 3_556 . . 6_556 ?
K1 O1 N1 O2 167.9(4) 3_556 . . . ?
K1 O3 N2 Rb1 -103.0(9) 6_556 . . 7_665 ?
K1 O3 N2 Rb1 -103.0(9) . . . 7_665 ?
K1 O3 N2 Rb1 -170.43(16) 6_556 . . 7_666 ?
K1 O3 N2 Rb1 -170.43(16) . . . 7_666 ?
K1 O3 N2 K1 0.000(0) . . . 6_556 ?
K1 O3 N2 O3 -9.5(5) . . . 6_556 ?
K1 O3 N2 O3 -9.5(5) 6_556 . . 6_556 ?
K1 O3 N2 N2 0.00(11) 6_556 . . 6_556 ?
K1 O3 N2 N2 0.00(11) . . . 6_556 ?
K1 O3 N2 O4 171.6(4) . . . . ?
K1 O3 N2 O4 171.6(4) 6_556 . . . ?
K1 O2 N1 K1 0.0 6_556 . . 3_556 ?
K1 O2 N1 K1 0.0 . . . 3_556 ?
K1 O2 N1 O1 89.7(4) 6_556 . . 6_556 ?
K1 O2 N1 O1 -89.7(4) . . . . ?
K1 O2 N1 O1 -89.7(4) 6_556 . . . ?
K1 O2 N1 O1 89.7(4) . . . 6_556 ?
O3 N2 O4 Rb1 -18.3(5) 6_556 . . 7_665 ?
O3 N2 O4 Rb1 -160.6(3) 6_556 . . 7_666 ?
O3 N2 O4 Rb1 160.6(4) . . . 7_665 ?
O3 N2 O4 Rb1 18.3(5) . . . 7_666 ?
O3 N2 O4 K1 -90.6(4) . . . 7_665 ?
O3 N2 O4 K1 90.6(4) 6_556 . . 7_665 ?
O3 N2 O4 N2 0(100) . . . 6_556 ?
O3 N2 O4 N2 0(100) 6_556 . . 6_556 ?
N2 O3 N2 Rb1 0(100) 6_556 . . 7_666 ?
N2 O3 N2 Rb1 0(100) 6_556 . . 7_665 ?
N2 O3 N2 K1 0(100) 6_556 . . 6_556 ?
N2 O3 N2 O3 0(100) 6_556 . . 6_556 ?
N2 O3 N2 O4 0(100) 6_556 . . . ?
N2 N2 O4 Rb1 0.00(3) 6_556 . . 7_665 ?
N2 N2 O4 Rb1 0.00(3) 6_556 . . 7_666 ?
N2 N2 O4 K1 0.0 6_556 . . 7_665 ?

_olex2_submission_original_sample_id 1
_olex2_submission_special_instructions 'No special instructions were received'
