# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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. 
# 
#######################################################################

data_rbpcno2_auto
_database_code_depnum_ccdc_archive 'CCDC 2277510'
loop_
_audit_author_name
_audit_author_address
'xianyu song'
;Fujian Institute of Research on the Structure of Matter
China
;
_audit_update_record             
;
2023-06-28 deposited with the CCDC.	2023-08-06 downloaded from the CCDC.
;
_audit_creation_date             2022-10-13
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C4 H8 N6 O9 P2 Rb2'
_chemical_formula_sum            'C4 H7 N6 O9 P2 Rb2'
_chemical_formula_weight         516.04
_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
C C 0.0181 0.0091 '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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rb Rb -0.4688 1.6079 '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           9
_space_group_name_H-M_alt        Cc
_space_group_name_Hall           'I -2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y, z'
'x+1/2, y+1/2, z+1/2'
'x+1, -y+1/2, z+1/2'

_cell_length_a                   6.6882(2)
_cell_length_b                   32.5229(10)
_cell_length_c                   6.8991(2)
_cell_angle_alpha                90
_cell_angle_beta                 94.173(2)
_cell_angle_gamma                90
_cell_volume                     1496.71(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3394
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      72.5240
_cell_measurement_theta_min      5.4250
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    11.090
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.290
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             996
_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  0.0201
_diffrn_reflns_av_unetI/netI     0.0210
_diffrn_reflns_Laue_measured_fraction_full 0.967
_diffrn_reflns_Laue_measured_fraction_max 0.937
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            3772
_diffrn_reflns_point_group_measured_fraction_full 0.685
_diffrn_reflns_point_group_measured_fraction_max 0.653
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.629
_diffrn_reflns_theta_min         5.441
_diffrn_ambient_temperature      200.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.937
_diffrn_measurement_device_type  'CrysAlisPro 1.171.41.116a (Rigaku OD, 2021)'
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.384
_reflns_Friedel_fraction_full    0.399
_reflns_Friedel_fraction_max     0.365
_reflns_number_gt                1934
_reflns_number_total             1947
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.545
_refine_diff_density_min         -0.441
_refine_diff_density_rms         0.107
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   -0.04(2)
_refine_ls_extinction_coef       0.00164(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     214
_refine_ls_number_reflns         1947
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0295
_refine_ls_R_factor_gt           0.0293
_refine_ls_restrained_S_all      1.067
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0626P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0742
_refine_ls_wR_factor_ref         0.0744
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All N(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 H00B-O007_$3
 2.5 with sigma of 0.01
3.a Rotating group:
 O00L(H00A,H00B)
3.b Aromatic/amide H refined with riding coordinates:
 N00D(H00D), N00E(H00E), N00F(H00F), N00H(H00H), N00M(H00M)
;
_atom_sites_solution_hydrogens   mixed
_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
Rb01 Rb 0.07437(7) 0.30167(2) 0.25277(7) 0.01954(19) Uani 1 1 d . . . . .
Rb02 Rb 0.94924(9) 0.44197(2) 1.01262(9) 0.0287(2) Uani 1 1 d . . . . .
P P 0.3649(2) 0.30354(4) 0.7786(2) 0.0112(3) Uani 1 1 d . . . . .
P004 P 0.4151(2) 0.44120(4) 0.66095(19) 0.0132(3) Uani 1 1 d . . . . .
O005 O 0.2738(6) 0.27407(13) 0.9121(6) 0.0167(8) Uani 1 1 d . . . . .
O006 O 0.6440(6) 0.49448(13) 0.2292(6) 0.0183(8) Uani 1 1 d . . . . .
O007 O 0.2189(6) 0.32915(13) 0.6568(6) 0.0176(8) Uani 1 1 d . . . . .
O008 O 0.8140(7) 0.26299(14) 0.5141(7) 0.0240(10) Uani 1 1 d . . . . .
O009 O 0.8448(6) 0.35786(15) 0.9883(7) 0.0235(9) Uani 1 1 d . . . . .
O00A O 0.5443(7) 0.43276(14) 0.8388(6) 0.0233(9) Uani 1 1 d . . . . .
O00B O 0.3544(7) 0.36964(15) 0.2177(7) 0.0271(10) Uani 1 1 d . . . . .
O00C O 0.2072(7) 0.45573(15) 0.6888(7) 0.0242(10) Uani 1 1 d . . . . .
N00D N 0.4004(8) 0.39966(16) 0.5129(7) 0.0196(11) Uani 1 1 d . . . . .
H00D H 0.386677 0.375602 0.568806 0.023 Uiso 1 1 calc R U . . .
N00E N 0.5197(7) 0.27859(16) 0.6378(7) 0.0176(10) Uani 1 1 d . . . . .
H00E H 0.463185 0.259117 0.564092 0.021 Uiso 1 1 calc R U . . .
N00F N 0.5347(8) 0.47300(16) 0.5163(7) 0.0160(9) Uani 1 1 d . . . . .
H00F H 0.589227 0.494999 0.572454 0.019 Uiso 1 1 calc R U . . .
N00G N 0.4769(8) 0.43421(16) 0.2315(8) 0.0162(10) Uani 1 1 d . . . . .
N00H N 0.5354(7) 0.33299(15) 0.9031(7) 0.0165(11) Uani 1 1 d . . . . .
H00H H 0.489274 0.348056 0.995898 0.020 Uiso 1 1 calc R U . . .
C00I C 0.5574(8) 0.46892(18) 0.3254(8) 0.0152(11) Uani 1 1 d . . . . .
C00J C 0.7319(9) 0.33683(19) 0.8812(8) 0.0148(11) Uani 1 1 d . . . . .
C00K C 0.7158(8) 0.28388(19) 0.6209(8) 0.0158(12) Uani 1 1 d . . . . .
O00L O 0.9261(9) 0.4093(2) 1.4293(10) 0.0577(18) Uani 1 1 d . . . . .
H00A H 0.975592 0.429862 1.537014 0.087 Uiso 1 1 d R U . . .
H00B H 1.020718 0.384913 1.465294 0.087 Uiso 1 1 d DR U . . .
N00M N 0.8096(7) 0.31512(17) 0.7303(7) 0.0176(10) Uani 1 1 d . . . . .
H00M H 0.931191 0.321901 0.701013 0.021 Uiso 1 1 calc R U . . .
C00N C 0.4076(8) 0.39962(18) 0.3189(8) 0.0152(11) Uani 1 1 d . . . . .
H00G H 0.532(15) 0.429(3) 0.103(16) 0.05(3) Uiso 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
Rb01 P 3.9324(14) 4_454 ?
Rb01 P 3.9247(14) 1_554 ?
Rb01 O005 2.926(4) 1_554 ?
Rb01 O005 2.973(4) 4_454 ?
Rb01 O007 3.018(4) . ?
Rb01 O008 2.885(4) 1_455 ?
Rb01 O008 3.122(5) 4_354 ?
Rb01 O009 2.936(5) 1_454 ?
Rb01 O00B 2.919(5) . ?
Rb01 C00J 3.503(5) 1_454 ?
Rb01 C00K 3.742(6) 4_354 ?
Rb01 C00K 3.664(6) 1_455 ?
Rb01 H00B 3.11(9) 1_454 ?
Rb02 Rb02 5.0430(10) 2_465 ?
Rb02 Rb02 5.0430(10) 2_565 ?
Rb02 O006 3.124(4) 1_556 ?
Rb02 O006 2.814(4) 2_566 ?
Rb02 O009 2.825(5) . ?
Rb02 O00A 2.897(4) . ?
Rb02 O00C 2.954(4) 1_655 ?
Rb02 N00G 3.608(5) 1_556 ?
Rb02 C00I 3.654(6) 2_566 ?
Rb02 C00I 3.622(6) 1_556 ?
Rb02 O00L 3.079(7) . ?
Rb02 H00G 2.93(10) 1_556 ?
P O005 1.490(4) . ?
P O007 1.495(4) . ?
P N00E 1.680(5) . ?
P N00H 1.677(5) . ?
P004 O00A 1.474(4) . ?
P004 O00C 1.494(5) . ?
P004 N00D 1.692(5) . ?
P004 N00F 1.680(5) . ?
O006 C00I 1.234(7) . ?
O008 C00K 1.227(7) . ?
O009 C00J 1.225(7) . ?
O00B C00N 1.236(7) . ?
N00D H00D 0.8800 . ?
N00D C00N 1.343(8) . ?
N00E H00E 0.8800 . ?
N00E C00K 1.337(7) . ?
N00F H00F 0.8800 . ?
N00F C00I 1.343(8) . ?
N00G C00I 1.390(8) . ?
N00G C00N 1.373(7) . ?
N00G H00G 1.00(11) . ?
N00H H00H 0.8800 . ?
N00H C00J 1.340(8) . ?
C00J N00M 1.389(8) . ?
C00K N00M 1.388(8) . ?
O00L H00A 1.0349 . ?
O00L H00B 1.0349 . ?
N00M H00M 0.8800 . ?

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
P Rb01 P 77.20(3) 1_554 4_454 ?
P Rb01 H00B 117.40(14) 1_554 1_454 ?
P Rb01 H00B 144.0(6) 4_454 1_454 ?
O005 Rb01 P 94.89(8) 4_454 1_554 ?
O005 Rb01 P 18.78(8) 1_554 1_554 ?
O005 Rb01 P 19.20(8) 4_454 4_454 ?
O005 Rb01 P 61.12(8) 1_554 4_454 ?
O005 Rb01 O005 79.90(9) 1_554 4_454 ?
O005 Rb01 O007 78.40(11) 4_454 . ?
O005 Rb01 O007 134.30(11) 1_554 . ?
O005 Rb01 O008 81.66(11) 4_454 4_354 ?
O005 Rb01 O008 68.85(11) 1_554 4_354 ?
O005 Rb01 O009 86.56(12) 1_554 1_454 ?
O005 Rb01 C00J 142.45(13) 4_454 1_454 ?
O005 Rb01 C00J 79.88(13) 1_554 1_454 ?
O005 Rb01 C00K 84.92(12) 4_454 1_455 ?
O005 Rb01 C00K 74.70(12) 4_454 4_354 ?
O005 Rb01 C00K 84.16(12) 1_554 4_354 ?
O005 Rb01 C00K 150.22(13) 1_554 1_455 ?
O005 Rb01 H00B 127.6(5) 4_454 1_454 ?
O005 Rb01 H00B 136.06(17) 1_554 1_454 ?
O007 Rb01 P 95.27(8) . 4_454 ?
O007 Rb01 P 128.35(8) . 1_554 ?
O007 Rb01 O008 144.61(11) . 4_354 ?
O007 Rb01 C00J 136.68(13) . 1_454 ?
O007 Rb01 C00K 65.68(12) . 1_455 ?
O007 Rb01 C00K 126.95(12) . 4_354 ?
O007 Rb01 H00B 49.3(5) . 1_454 ?
O008 Rb01 P 84.89(10) 1_455 4_454 ?
O008 Rb01 P 72.10(8) 4_354 4_454 ?
O008 Rb01 P 82.06(8) 4_354 1_554 ?
O008 Rb01 P 152.33(9) 1_455 1_554 ?
O008 Rb01 O005 71.49(12) 1_455 4_454 ?
O008 Rb01 O005 134.37(12) 1_455 1_554 ?
O008 Rb01 O007 73.69(12) 1_455 . ?
O008 Rb01 O008 72.37(8) 1_455 4_354 ?
O008 Rb01 O009 110.34(13) 1_455 1_454 ?
O008 Rb01 O00B 143.34(12) 1_455 . ?
O008 Rb01 C00J 61.58(13) 4_354 1_454 ?
O008 Rb01 C00J 101.98(14) 1_455 1_454 ?
O008 Rb01 C00K 54.72(13) 1_455 4_354 ?
O008 Rb01 C00K 83.76(13) 4_354 1_455 ?
O008 Rb01 C00K 17.83(12) 4_354 4_354 ?
O008 Rb01 C00K 16.78(13) 1_455 1_455 ?
O008 Rb01 H00B 139.1(6) 4_354 1_454 ?
O008 Rb01 H00B 89.39(19) 1_455 1_454 ?
O009 Rb01 P 143.53(9) 1_454 4_454 ?
O009 Rb01 P 74.96(9) 1_454 1_554 ?
O009 Rb01 O005 161.03(11) 1_454 4_454 ?
O009 Rb01 O007 120.50(13) 1_454 . ?
O009 Rb01 O008 81.08(12) 1_454 4_354 ?
O009 Rb01 C00J 19.50(13) 1_454 1_454 ?
O009 Rb01 C00K 100.95(13) 1_454 1_455 ?
O009 Rb01 C00K 90.85(13) 1_454 4_354 ?
O009 Rb01 H00B 71.2(5) 1_454 1_454 ?
O00B Rb01 P 110.18(11) . 4_454 ?
O00B Rb01 P 63.87(9) . 1_554 ?
O00B Rb01 O005 80.39(12) . 1_554 ?
O00B Rb01 O005 112.64(13) . 4_454 ?
O00B Rb01 O007 71.82(12) . . ?
O00B Rb01 O008 143.42(12) . 4_354 ?
O00B Rb01 O009 77.69(13) . 1_454 ?
O00B Rb01 C00J 94.66(14) . 1_454 ?
O00B Rb01 C00K 161.22(13) . 4_354 ?
O00B Rb01 C00K 129.29(13) . 1_455 ?
O00B Rb01 H00B 58.5(3) . 1_454 ?
C00J Rb01 P 127.72(10) 1_454 4_454 ?
C00J Rb01 P 73.85(10) 1_454 1_554 ?
C00J Rb01 C00K 72.04(13) 1_454 4_354 ?
C00J Rb01 C00K 97.64(13) 1_454 1_455 ?
C00J Rb01 H00B 88.2(6) 1_454 1_454 ?
C00K Rb01 P 70.72(9) 4_354 4_454 ?
C00K Rb01 P 100.21(10) 1_455 4_454 ?
C00K Rb01 P 99.00(9) 4_354 1_554 ?
C00K Rb01 P 165.69(10) 1_455 1_554 ?
C00K Rb01 C00K 67.10(12) 1_455 4_354 ?
C00K Rb01 H00B 73.0(2) 1_455 1_454 ?
C00K Rb01 H00B 131.9(5) 4_354 1_454 ?
Rb01 Rb02 Rb02 126.828(13) 1_656 2_565 ?
Rb01 Rb02 Rb02 142.474(12) 1_656 2_465 ?
Rb01 Rb02 H00G 86.4(18) 1_656 1_556 ?
Rb02 Rb02 Rb02 83.08(2) 2_465 2_565 ?
Rb02 Rb02 H00G 57.7(18) 2_465 1_556 ?
Rb02 Rb02 H00G 138.4(18) 2_565 1_556 ?
O006 Rb02 Rb01 116.29(9) 2_566 1_656 ?
O006 Rb02 Rb01 116.64(8) 1_556 1_656 ?
O006 Rb02 Rb02 92.70(8) 1_556 2_565 ?
O006 Rb02 Rb02 33.78(9) 2_566 2_565 ?
O006 Rb02 Rb02 30.06(8) 1_556 2_465 ?
O006 Rb02 Rb02 74.43(8) 2_566 2_465 ?
O006 Rb02 O006 68.77(6) 2_566 1_556 ?
O006 Rb02 O009 147.75(13) 2_566 . ?
O006 Rb02 O00A 132.73(13) 2_566 . ?
O006 Rb02 O00C 90.96(14) 2_566 1_655 ?
O006 Rb02 N00G 38.33(11) 1_556 1_556 ?
O006 Rb02 N00G 102.40(12) 2_566 1_556 ?
O006 Rb02 C00I 19.33(12) 1_556 1_556 ?
O006 Rb02 C00I 52.57(12) 1_556 2_566 ?
O006 Rb02 C00I 80.38(12) 2_566 1_556 ?
O006 Rb02 C00I 16.21(12) 2_566 2_566 ?
O006 Rb02 O00L 79.05(16) 2_566 . ?
O006 Rb02 H00G 46.5(19) 1_556 1_556 ?
O006 Rb02 H00G 114(2) 2_566 1_556 ?
O009 Rb02 Rb01 32.32(9) . 1_656 ?
O009 Rb02 Rb02 152.36(9) . 2_565 ?
O009 Rb02 Rb02 124.30(9) . 2_465 ?
O009 Rb02 O006 112.98(12) . 1_556 ?
O009 Rb02 O00A 69.85(13) . . ?
O009 Rb02 O00C 104.91(14) . 1_655 ?
O009 Rb02 N00G 74.75(13) . 1_556 ?
O009 Rb02 C00I 147.19(13) . 2_566 ?
O009 Rb02 C00I 94.77(13) . 1_556 ?
O009 Rb02 O00L 72.12(16) . . ?
O009 Rb02 H00G 68.9(18) . 1_556 ?
O00A Rb02 Rb01 100.08(9) . 1_656 ?
O00A Rb02 Rb02 132.64(9) . 2_565 ?
O00A Rb02 Rb02 58.49(9) . 2_465 ?
O00A Rb02 O006 68.33(12) . 1_556 ?
O00A Rb02 O00C 106.41(13) . 1_655 ?
O00A Rb02 N00G 49.11(12) . 1_556 ?
O00A Rb02 C00I 64.94(13) . 1_556 ?
O00A Rb02 C00I 117.74(13) . 2_566 ?
O00A Rb02 O00L 104.00(15) . . ?
O00A Rb02 H00G 37(2) . 1_556 ?
O00C Rb02 Rb01 107.55(9) 1_655 1_656 ?
O00C Rb02 Rb02 108.08(9) 1_655 2_465 ?
O00C Rb02 Rb02 57.51(10) 1_655 2_565 ?
O00C Rb02 O006 135.78(12) 1_655 1_556 ?
O00C Rb02 N00G 154.74(13) 1_655 1_556 ?
O00C Rb02 C00I 154.37(13) 1_655 1_556 ?
O00C Rb02 C00I 103.00(13) 1_655 2_566 ?
O00C Rb02 O00L 146.10(15) 1_655 . ?
O00C Rb02 H00G 143(2) 1_655 1_556 ?
N00G Rb02 Rb01 85.80(8) 1_556 1_656 ?
N00G Rb02 Rb02 56.74(8) 1_556 2_465 ?
N00G Rb02 Rb02 130.78(8) 1_556 2_565 ?
N00G Rb02 C00I 22.17(12) 1_556 1_556 ?
N00G Rb02 C00I 87.13(12) 1_556 2_566 ?
N00G Rb02 H00G 13(2) 1_556 1_556 ?
C00I Rb02 Rb01 97.87(9) 1_556 1_656 ?
C00I Rb02 Rb01 121.11(9) 2_566 1_656 ?
C00I Rb02 Rb02 109.11(9) 1_556 2_565 ?
C00I Rb02 Rb02 60.60(9) 2_566 2_465 ?
C00I Rb02 Rb02 46.39(9) 1_556 2_465 ?
C00I Rb02 Rb02 45.86(9) 2_566 2_565 ?
C00I Rb02 C00I 64.97(11) 1_556 2_566 ?
C00I Rb02 H00G 97.9(19) 2_566 1_556 ?
C00I Rb02 H00G 34(2) 1_556 1_556 ?
O00L Rb02 Rb01 51.91(14) . 1_656 ?
O00L Rb02 Rb02 100.34(13) . 2_465 ?
O00L Rb02 Rb02 109.65(13) . 2_565 ?
O00L Rb02 O006 70.29(15) . 1_556 ?
O00L Rb02 N00G 58.67(14) . 1_556 ?
O00L Rb02 C00I 75.11(17) . 2_566 ?
O00L Rb02 C00I 55.89(15) . 1_556 ?
O00L Rb02 H00G 69(2) . 1_556 ?
Rb01 P Rb01 121.32(4) 1_556 . ?
Rb01 P Rb01 74.88(3) 4_455 . ?
Rb01 P Rb01 75.60(3) 1_556 4_455 ?
O005 P Rb01 41.01(16) . 4_455 ?
O005 P Rb01 111.00(17) . . ?
O005 P Rb01 39.21(17) . 1_556 ?
O005 P O007 115.2(2) . . ?
O005 P N00E 110.1(2) . . ?
O005 P N00H 110.2(3) . . ?
O007 P Rb01 40.72(17) . . ?
O007 P Rb01 97.74(17) . 1_556 ?
O007 P Rb01 99.14(17) . 4_455 ?
O007 P N00E 110.4(3) . . ?
O007 P N00H 111.2(2) . . ?
N00E P Rb01 146.93(19) . 1_556 ?
N00E P Rb01 82.92(18) . 4_455 ?
N00E P Rb01 75.31(19) . . ?
N00H P Rb01 86.67(18) . 1_556 ?
N00H P Rb01 146.67(19) . 4_455 ?
N00H P Rb01 137.93(19) . . ?
N00H P N00E 98.5(2) . . ?
O00A P004 O00C 116.5(3) . . ?
O00A P004 N00D 111.0(3) . . ?
O00A P004 N00F 109.5(3) . . ?
O00C P004 N00D 108.5(3) . . ?
O00C P004 N00F 111.7(3) . . ?
N00F P004 N00D 98.2(3) . . ?
Rb01 O005 Rb01 109.43(12) 1_556 4_455 ?
P O005 Rb01 122.0(2) . 1_556 ?
P O005 Rb01 119.8(2) . 4_455 ?
Rb02 O006 Rb02 116.17(13) 2_464 1_554 ?
C00I O006 Rb02 124.3(4) . 2_464 ?
C00I O006 Rb02 103.8(3) . 1_554 ?
P O007 Rb01 120.4(2) . . ?
Rb01 O008 Rb01 106.52(14) 1_655 4 ?
C00K O008 Rb01 120.5(4) . 1_655 ?
C00K O008 Rb01 111.0(4) . 4 ?
Rb02 O009 Rb01 116.73(14) . 1_656 ?
C00J O009 Rb01 107.4(4) . 1_656 ?
C00J O009 Rb02 135.6(4) . . ?
P004 O00A Rb02 143.1(3) . . ?
C00N O00B Rb01 135.3(4) . . ?
P004 O00C Rb02 130.5(2) . 1_455 ?
P004 N00D H00D 116.7 . . ?
C00N N00D P004 126.7(4) . . ?
C00N N00D H00D 116.7 . . ?
P N00E H00E 115.2 . . ?
C00K N00E P 129.7(4) . . ?
C00K N00E H00E 115.2 . . ?
P004 N00F H00F 116.0 . . ?
C00I N00F P004 127.9(4) . . ?
C00I N00F H00F 116.0 . . ?
Rb02 N00G H00G 41(6) 1_554 . ?
C00I N00G Rb02 79.5(3) . 1_554 ?
C00I N00G H00G 113(5) . . ?
C00N N00G Rb02 125.1(4) . 1_554 ?
C00N N00G C00I 126.3(5) . . ?
C00N N00G H00G 114(5) . . ?
P N00H H00H 115.4 . . ?
C00J N00H P 129.2(4) . . ?
C00J N00H H00H 115.4 . . ?
Rb02 C00I Rb02 87.75(13) 1_554 2_464 ?
O006 C00I Rb02 39.5(3) . 2_464 ?
O006 C00I Rb02 56.9(3) . 1_554 ?
O006 C00I N00F 123.5(5) . . ?
O006 C00I N00G 118.5(5) . . ?
N00F C00I Rb02 138.3(4) . 1_554 ?
N00F C00I Rb02 118.0(4) . 2_464 ?
N00F C00I N00G 118.0(5) . . ?
N00G C00I Rb02 78.4(3) . 1_554 ?
N00G C00I Rb02 108.4(4) . 2_464 ?
O009 C00J Rb01 53.1(3) . 1_656 ?
O009 C00J N00H 123.4(6) . . ?
O009 C00J N00M 119.2(5) . . ?
N00H C00J Rb01 118.8(4) . 1_656 ?
N00H C00J N00M 117.4(5) . . ?
N00M C00J Rb01 97.0(3) . 1_656 ?
Rb01 C00K Rb01 81.12(11) 1_655 4 ?
O008 C00K Rb01 51.2(3) . 4 ?
O008 C00K Rb01 42.7(3) . 1_655 ?
O008 C00K N00E 123.5(6) . . ?
O008 C00K N00M 119.4(5) . . ?
N00E C00K Rb01 141.0(4) . 1_655 ?
N00E C00K Rb01 119.9(4) . 4 ?
N00E C00K N00M 117.0(5) . . ?
N00M C00K Rb01 99.0(3) . 4 ?
N00M C00K Rb01 88.2(3) . 1_655 ?
Rb02 O00L H00A 114.4 . . ?
Rb02 O00L H00B 114.6 . . ?
H00A O00L H00B 99.5 . . ?
C00J N00M H00M 116.6 . . ?
C00K N00M C00J 126.9(5) . . ?
C00K N00M H00M 116.6 . . ?
O00B C00N N00D 122.2(5) . . ?
O00B C00N N00G 119.4(5) . . ?
N00D C00N N00G 118.3(5) . . ?

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
Rb01 P O005 Rb01 -144.1(4) 4_455 . . 1_556 ?
Rb01 P O005 Rb01 144.1(4) 1_556 . . 4_455 ?
Rb01 P O005 Rb01 -114.23(18) . . . 1_556 ?
Rb01 P O005 Rb01 29.9(2) . . . 4_455 ?
Rb01 P O007 Rb01 -130.27(17) 1_556 . . . ?
Rb01 P O007 Rb01 -53.7(2) 4_455 . . . ?
Rb01 P N00E C00K -151.6(6) 4_455 . . . ?
Rb01 P N00E C00K 132.3(6) . . . . ?
Rb01 P N00E C00K -102.1(6) 1_556 . . . ?
Rb01 P N00H C00J 151.7(6) 1_556 . . . ?
Rb01 P N00H C00J 94.5(6) 4_455 . . . ?
Rb01 P N00H C00J -72.8(6) . . . . ?
Rb01 O008 C00K Rb01 -125.4(4) 1_655 . . 4 ?
Rb01 O008 C00K Rb01 125.4(4) 4 . . 1_655 ?
Rb01 O008 C00K N00E 131.0(5) 1_655 . . . ?
Rb01 O008 C00K N00E -103.6(6) 4 . . . ?
Rb01 O008 C00K N00M -48.4(7) 1_655 . . . ?
Rb01 O008 C00K N00M 77.0(6) 4 . . . ?
Rb01 O009 C00J N00H 103.1(6) 1_656 . . . ?
Rb01 O009 C00J N00M -75.9(6) 1_656 . . . ?
Rb01 O00B C00N N00D 26.8(9) . . . . ?
Rb01 O00B C00N N00G -153.3(4) . . . . ?
Rb01 C00J N00M C00K 114.7(6) 1_656 . . . ?
Rb01 C00K N00M C00J 161.3(6) 1_655 . . . ?
Rb01 C00K N00M C00J -117.9(6) 4 . . . ?
Rb02 O006 C00I Rb02 135.7(4) 2_464 . . 1_554 ?
Rb02 O006 C00I Rb02 -135.7(4) 1_554 . . 2_464 ?
Rb02 O006 C00I N00F -94.7(6) 2_464 . . . ?
Rb02 O006 C00I N00F 129.6(5) 1_554 . . . ?
Rb02 O006 C00I N00G 84.6(6) 2_464 . . . ?
Rb02 O006 C00I N00G -51.1(5) 1_554 . . . ?
Rb02 O009 C00J Rb01 173.7(6) . . . 1_656 ?
Rb02 O009 C00J N00H -83.2(8) . . . . ?
Rb02 O009 C00J N00M 97.9(7) . . . . ?
Rb02 N00G C00I Rb02 83.65(19) 1_554 . . 2_464 ?
Rb02 N00G C00I O006 41.8(5) 1_554 . . . ?
Rb02 N00G C00I N00F -138.9(5) 1_554 . . . ?
Rb02 N00G C00N O00B -70.4(7) 1_554 . . . ?
Rb02 N00G C00N N00D 109.5(5) 1_554 . . . ?
P N00E C00K Rb01 -126.9(5) . . . 1_655 ?
P N00E C00K Rb01 117.8(5) . . . 4 ?
P N00E C00K O008 178.7(5) . . . . ?
P N00E C00K N00M -1.9(9) . . . . ?
P N00H C00J Rb01 -113.2(5) . . . 1_656 ?
P N00H C00J O009 -176.0(5) . . . . ?
P N00H C00J N00M 3.0(9) . . . . ?
P004 N00D C00N O00B -164.4(5) . . . . ?
P004 N00D C00N N00G 15.7(8) . . . . ?
P004 N00F C00I Rb02 132.2(4) . . . 2_464 ?
P004 N00F C00I Rb02 -105.8(6) . . . 1_554 ?
P004 N00F C00I O006 178.1(5) . . . . ?
P004 N00F C00I N00G -1.2(8) . . . . ?
O005 P O007 Rb01 -93.4(3) . . . . ?
O005 P N00E C00K -120.4(6) . . . . ?
O005 P N00H C00J 119.7(6) . . . . ?
O007 P O005 Rb01 -70.0(3) . . . 1_556 ?
O007 P O005 Rb01 74.1(3) . . . 4_455 ?
O007 P N00E C00K 111.3(6) . . . . ?
O007 P N00H C00J -111.3(6) . . . . ?
O008 C00K N00M C00J -168.2(6) . . . . ?
O009 C00J N00M C00K 166.1(6) . . . . ?
O00A P004 O00C Rb02 -26.6(5) . . . 1_455 ?
O00A P004 N00D C00N -137.7(5) . . . . ?
O00A P004 N00F C00I 131.4(5) . . . . ?
O00C P004 O00A Rb02 -139.3(4) . . . . ?
O00C P004 N00D C00N 93.1(5) . . . . ?
O00C P004 N00F C00I -98.1(6) . . . . ?
N00D P004 O00A Rb02 95.9(5) . . . . ?
N00D P004 O00C Rb02 99.4(4) . . . 1_455 ?
N00D P004 N00F C00I 15.6(6) . . . . ?
N00E P O005 Rb01 164.3(2) . . . 1_556 ?
N00E P O005 Rb01 -51.6(3) . . . 4_455 ?
N00E P O007 Rb01 32.1(3) . . . . ?
N00E P N00H C00J 4.6(6) . . . . ?
N00E C00K N00M C00J 12.4(9) . . . . ?
N00F P004 O00A Rb02 -11.4(5) . . . . ?
N00F P004 O00C Rb02 -153.5(3) . . . 1_455 ?
N00F P004 N00D C00N -23.2(6) . . . . ?
N00H P O005 Rb01 -159.1(2) . . . 4_455 ?
N00H P O005 Rb01 56.8(3) . . . 1_556 ?
N00H P O007 Rb01 140.3(2) . . . . ?
N00H P N00E C00K -5.2(6) . . . . ?
N00H C00J N00M C00K -13.0(9) . . . . ?
C00I N00G C00N O00B -174.3(6) . . . . ?
C00I N00G C00N N00D 5.6(9) . . . . ?
C00N N00G C00I Rb02 -150.3(5) . . . 2_464 ?
C00N N00G C00I Rb02 126.1(6) . . . 1_554 ?
C00N N00G C00I O006 167.8(6) . . . . ?
C00N N00G C00I N00F -12.8(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
