# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_mo_0423_4_0m
_database_code_depnum_ccdc_archive 'CCDC 1914422'
_audit_update_record             
;
2019-05-07 deposited with the CCDC.	2019-09-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'F3 N3 O9 Rb3 Sb'
_chemical_formula_weight         621.19

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Rb Rb -0.9393 2.9676 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   8.9848(11)
_cell_length_b                   7.3395(8)
_cell_length_c                   9.5296(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.101(4)
_cell_angle_gamma                90.00
_cell_volume                     616.66(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    6617
_cell_measurement_theta_min      6.936
_cell_measurement_theta_max      52.706

_exptl_crystal_description       block-like
_exptl_crystal_colour            ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.345
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             564
_exptl_absorpt_coefficient_mu    14.084
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16108
_diffrn_reflns_av_R_equivalents  0.0741
_diffrn_reflns_av_sigmaI/netI    0.0477
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         2.18
_diffrn_reflns_theta_max         26.40
_reflns_number_total             2524
_reflns_number_gt                2367
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0265P)²+0.6492P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    .
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.012(10)
_refine_ls_number_reflns         2524
_refine_ls_number_parameters     172
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0314
_refine_ls_R_factor_gt           0.0274
_refine_ls_wR_factor_ref         0.0674
_refine_ls_wR_factor_gt          0.0632
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb 0.35401(6) 0.47495(6) 0.63569(5) 0.02198(12) Uani 1 1 d . . .
Rb1 Rb 0.07752(9) 0.32437(10) 0.90317(8) 0.02532(17) Uani 1 1 d . . .
Rb2 Rb 0.13763(9) 0.02494(9) 0.47453(7) 0.02523(17) Uani 1 1 d . . .
Rb3 Rb 0.54273(9) 0.07096(10) 0.88420(8) 0.02680(17) Uani 1 1 d . . .
F1 F 0.1532(5) 0.3605(6) 0.6130(5) 0.0255(9) Uani 1 1 d . . .
F3 F 0.4215(5) 0.2282(6) 0.6014(5) 0.0271(10) Uani 1 1 d D . .
F2 F 0.3674(5) 0.4001(6) 0.8369(5) 0.0265(10) Uani 1 1 d . . .
O8 O 0.8385(6) 0.5982(8) 0.8418(6) 0.0293(12) Uani 1 1 d . . .
O1 O 0.1481(6) 0.5325(8) 0.1768(5) 0.0312(13) Uani 1 1 d . . .
O9 O 0.6155(7) 0.6758(8) 0.8772(6) 0.0306(13) Uani 1 1 d . . .
O2 O 0.1264(7) 0.6367(8) 0.3865(6) 0.0308(13) Uani 1 1 d . . .
O7 O 0.6419(6) 0.4596(9) 0.7263(6) 0.0316(12) Uani 1 1 d D . .
O4 O 0.1300(8) 0.7231(9) 0.7093(7) 0.0394(15) Uani 1 1 d . . .
N1 N 0.1846(7) 0.5317(9) 0.3091(7) 0.0247(14) Uani 1 1 d . . .
O5 O 0.2220(7) 0.9806(9) 0.7993(6) 0.0379(13) Uani 1 1 d . . .
O3 O 0.2908(7) 0.4225(8) 0.3686(6) 0.0300(13) Uani 1 1 d . . .
N2 N 0.1824(8) 0.8186(10) 0.8164(7) 0.0278(15) Uani 1 1 d . . .
O6 O 0.1944(8) 0.7552(10) 0.9378(6) 0.0434(17) Uani 1 1 d . . .
N3 N 0.6988(8) 0.5777(9) 0.8174(7) 0.0254(14) 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
Sb1 F3 1.957(4) . ?
Sb1 F1 1.964(4) . ?
Sb1 F2 1.976(4) . ?
Sb1 O3 2.528(5) . ?
Sb1 O7 2.567(6) . ?
Sb1 Rb3 3.9659(9) . ?
Sb1 Rb2 3.9871(9) . ?
Sb1 Rb1 4.0409(9) . ?
Sb1 Rb2 4.3548(10) 2_556 ?
Rb1 F2 2.850(5) . ?
Rb1 O8 2.918(6) 1_455 ?
Rb1 O8 2.920(6) 2_647 ?
Rb1 O1 2.947(6) 2_546 ?
Rb1 O1 2.983(5) 1_556 ?
Rb1 F1 2.984(4) . ?
Rb1 O5 3.087(7) 1_545 ?
Rb1 O6 3.154(7) 2_547 ?
Rb1 O2 3.305(6) 2_546 ?
Rb1 O9 3.310(6) 2_647 ?
Rb1 O6 3.329(8) . ?
Rb1 N3 3.514(7) 2_647 ?
Rb2 F1 2.785(4) . ?
Rb2 F1 2.853(5) 2_546 ?
Rb2 O2 2.967(6) 1_545 ?
Rb2 F3 3.001(5) . ?
Rb2 O2 3.044(6) 2_546 ?
Rb2 O7 3.046(5) 2_646 ?
Rb2 O4 3.057(6) 2_546 ?
Rb2 O5 3.058(6) 1_545 ?
Rb2 O8 3.110(6) 2_646 ?
Rb2 O4 3.158(7) 1_545 ?
Rb2 N3 3.409(6) 2_646 ?
Rb2 O3 3.459(6) . ?
Rb3 F2 2.872(5) . ?
Rb3 F2 2.909(4) 2_647 ?
Rb3 O5 2.915(6) 1_545 ?
Rb3 F3 2.941(4) . ?
Rb3 O6 2.957(7) 2_647 ?
Rb3 O1 2.959(6) 2_646 ?
Rb3 O9 2.976(6) 1_545 ?
Rb3 O9 3.005(6) 2_647 ?
Rb3 O3 3.258(6) 2_646 ?
Rb3 N1 3.349(6) 2_646 ?
Rb3 O7 3.422(6) . ?
Rb3 N2 3.678(7) 1_545 ?
F1 Rb2 2.853(5) 2_556 ?
F2 Rb3 2.909(4) 2_657 ?
O8 N3 1.241(9) . ?
O8 Rb1 2.918(6) 1_655 ?
O8 Rb1 2.920(6) 2_657 ?
O8 Rb2 3.110(6) 2_656 ?
O1 N1 1.241(8) . ?
O1 Rb1 2.947(6) 2_556 ?
O1 Rb3 2.959(6) 2_656 ?
O1 Rb1 2.983(5) 1_554 ?
O9 N3 1.252(9) . ?
O9 Rb3 2.976(6) 1_565 ?
O9 Rb3 3.005(6) 2_657 ?
O9 Rb1 3.310(6) 2_657 ?
O2 N1 1.248(8) . ?
O2 Rb2 2.967(6) 1_565 ?
O2 Rb2 3.044(6) 2_556 ?
O2 Rb1 3.305(6) 2_556 ?
O7 N3 1.263(9) . ?
O7 Rb2 3.046(5) 2_656 ?
O4 N2 1.253(9) . ?
O4 Rb2 3.057(6) 2_556 ?
O4 Rb2 3.158(7) 1_565 ?
N1 O3 1.290(8) . ?
N1 Rb3 3.349(6) 2_656 ?
N1 Rb1 3.524(7) 2_556 ?
O5 N2 1.261(10) . ?
O5 Rb3 2.915(6) 1_565 ?
O5 Rb2 3.058(6) 1_565 ?
O5 Rb1 3.087(7) 1_565 ?
O3 Rb3 3.258(6) 2_656 ?
N2 O6 1.232(9) . ?
N2 Rb2 3.545(7) 1_565 ?
N2 Rb3 3.678(7) 1_565 ?
O6 Rb3 2.957(7) 2_657 ?
O6 Rb1 3.154(7) 2_557 ?
N3 Rb2 3.409(6) 2_656 ?
N3 Rb1 3.514(7) 2_657 ?

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
F3 Sb1 F1 83.90(19) . . ?
F3 Sb1 F2 86.66(19) . . ?
F1 Sb1 F2 82.57(18) . . ?
F3 Sb1 O3 73.01(18) . . ?
F1 Sb1 O3 78.49(19) . . ?
F2 Sb1 O3 153.43(19) . . ?
F3 Sb1 O7 71.99(19) . . ?
F1 Sb1 O7 149.67(19) . . ?
F2 Sb1 O7 78.01(18) . . ?
O3 Sb1 O7 110.40(18) . . ?
F3 Sb1 Rb3 45.36(13) . . ?
F1 Sb1 Rb3 91.38(13) . . ?
F2 Sb1 Rb3 43.40(13) . . ?
O3 Sb1 Rb3 118.34(12) . . ?
O7 Sb1 Rb3 58.60(14) . . ?
F3 Sb1 Rb2 46.61(14) . . ?
F1 Sb1 Rb2 40.00(13) . . ?
F2 Sb1 Rb2 94.44(13) . . ?
O3 Sb1 Rb2 59.18(13) . . ?
O7 Sb1 Rb2 118.57(14) . . ?
Rb3 Sb1 Rb2 74.418(19) . . ?
F3 Sb1 Rb1 95.76(13) . . ?
F1 Sb1 Rb1 44.70(13) . . ?
F2 Sb1 Rb1 40.68(13) . . ?
O3 Sb1 Rb1 123.17(14) . . ?
O7 Sb1 Rb1 118.54(13) . . ?
Rb3 Sb1 Rb1 70.301(18) . . ?
Rb2 Sb1 Rb1 72.724(18) . . ?
F3 Sb1 Rb2 111.74(14) . 2_556 ?
F1 Sb1 Rb2 30.88(13) . 2_556 ?
F2 Sb1 Rb2 97.28(13) . 2_556 ?
O3 Sb1 Rb2 75.47(13) . 2_556 ?
O7 Sb1 Rb2 173.99(12) . 2_556 ?
Rb3 Sb1 Rb2 120.279(18) . 2_556 ?
Rb2 Sb1 Rb2 65.175(13) . 2_556 ?
Rb1 Sb1 Rb2 57.108(16) . 2_556 ?
F2 Rb1 O8 119.35(15) . 1_455 ?
F2 Rb1 O8 101.21(14) . 2_647 ?
O8 Rb1 O8 128.38(8) 1_455 2_647 ?
F2 Rb1 O1 134.17(14) . 2_546 ?
O8 Rb1 O1 90.33(16) 1_455 2_546 ?
O8 Rb1 O1 81.76(15) 2_647 2_546 ?
F2 Rb1 O1 92.54(14) . 1_556 ?
O8 Rb1 O1 81.19(15) 1_455 1_556 ?
O8 Rb1 O1 65.55(16) 2_647 1_556 ?
O1 Rb1 O1 128.18(9) 2_546 1_556 ?
F2 Rb1 F1 52.87(12) . . ?
O8 Rb1 F1 92.47(14) 1_455 . ?
O8 Rb1 F1 138.89(14) 2_647 . ?
O1 Rb1 F1 95.35(13) 2_546 . ?
O1 Rb1 F1 135.77(14) 1_556 . ?
F2 Rb1 O5 68.25(14) . 1_545 ?
O8 Rb1 O5 146.90(16) 1_455 1_545 ?
O8 Rb1 O5 75.24(16) 2_647 1_545 ?
O1 Rb1 O5 68.51(16) 2_546 1_545 ?
O1 Rb1 O5 131.86(16) 1_556 1_545 ?
F1 Rb1 O5 65.82(14) . 1_545 ?
F2 Rb1 O6 164.39(15) . 2_547 ?
O8 Rb1 O6 66.34(18) 1_455 2_547 ?
O8 Rb1 O6 66.96(17) 2_647 2_547 ?
O1 Rb1 O6 56.60(16) 2_546 2_547 ?
O1 Rb1 O6 73.51(16) 1_556 2_547 ?
F1 Rb1 O6 142.70(15) . 2_547 ?
O5 Rb1 O6 115.81(17) 1_545 2_547 ?
F2 Rb1 O2 106.24(14) . 2_546 ?
O8 Rb1 O2 81.44(16) 1_455 2_546 ?
O8 Rb1 O2 118.10(16) 2_647 2_546 ?
O1 Rb1 O2 40.35(14) 2_546 2_546 ?
O1 Rb1 O2 159.01(16) 1_556 2_546 ?
F1 Rb1 O2 56.77(13) . 2_546 ?
O5 Rb1 O2 65.88(16) 1_545 2_546 ?
O6 Rb1 O2 88.74(15) 2_547 2_546 ?
F2 Rb1 O9 61.22(13) . 2_647 ?
O8 Rb1 O9 147.72(16) 1_455 2_647 ?
O8 Rb1 O9 40.18(15) 2_647 2_647 ?
O1 Rb1 O9 111.84(15) 2_546 2_647 ?
O1 Rb1 O9 66.73(15) 1_556 2_647 ?
F1 Rb1 O9 107.73(13) . 2_647 ?
O5 Rb1 O9 65.35(15) 1_545 2_647 ?
O6 Rb1 O9 105.75(16) 2_547 2_647 ?
O2 Rb1 O9 130.64(16) 2_546 2_647 ?
F2 Rb1 O6 63.41(15) . . ?
O8 Rb1 O6 64.62(17) 1_455 . ?
O8 Rb1 O6 115.57(16) 2_647 . ?
O1 Rb1 O6 154.76(17) 2_546 . ?
O1 Rb1 O6 54.34(15) 1_556 . ?
F1 Rb1 O6 83.30(13) . . ?
O5 Rb1 O6 131.62(16) 1_545 . ?
O6 Rb1 O6 111.35(18) 2_547 . ?
O2 Rb1 O6 126.32(15) 2_546 . ?
O9 Rb1 O6 92.39(15) 2_647 . ?
F2 Rb1 N3 81.64(14) . 2_647 ?
O8 Rb1 N3 142.99(16) 1_455 2_647 ?
O8 Rb1 N3 19.58(15) 2_647 2_647 ?
O1 Rb1 N3 94.93(16) 2_546 2_647 ?
O1 Rb1 N3 66.87(15) 1_556 2_647 ?
F1 Rb1 N3 123.30(14) . 2_647 ?
O5 Rb1 N3 66.89(16) 1_545 2_647 ?
O6 Rb1 N3 86.32(17) 2_547 2_647 ?
O2 Rb1 N3 124.21(16) 2_546 2_647 ?
O9 Rb1 N3 20.87(15) 2_647 2_647 ?
O6 Rb1 N3 106.92(16) . 2_647 ?
F1 Rb2 F1 118.18(10) . 2_546 ?
F1 Rb2 O2 168.34(15) . 1_545 ?
F1 Rb2 O2 62.09(15) 2_546 1_545 ?
F1 Rb2 F3 53.71(13) . . ?
F1 Rb2 F3 170.95(12) 2_546 . ?
O2 Rb2 F3 124.85(15) 1_545 . ?
F1 Rb2 O2 61.83(15) . 2_546 ?
F1 Rb2 O2 59.63(14) 2_546 2_546 ?
O2 Rb2 O2 113.27(15) 1_545 2_546 ?
F3 Rb2 O2 111.34(14) . 2_546 ?
F1 Rb2 O7 117.23(15) . 2_646 ?
F1 Rb2 O7 114.80(15) 2_546 2_646 ?
O2 Rb2 O7 70.22(17) 1_545 2_646 ?
F3 Rb2 O7 74.12(14) . 2_646 ?
O2 Rb2 O7 166.29(15) 2_546 2_646 ?
F1 Rb2 O4 79.22(16) . 2_546 ?
F1 Rb2 O4 57.22(16) 2_546 2_546 ?
O2 Rb2 O4 108.35(18) 1_545 2_546 ?
F3 Rb2 O4 120.53(16) . 2_546 ?
O2 Rb2 O4 61.85(16) 2_546 2_546 ?
O7 Rb2 O4 104.46(16) 2_646 2_546 ?
F1 Rb2 O5 68.57(16) . 1_545 ?
F1 Rb2 O5 106.59(14) 2_546 1_545 ?
O2 Rb2 O5 99.93(17) 1_545 1_545 ?
F3 Rb2 O5 67.62(14) . 1_545 ?
O2 Rb2 O5 69.55(17) 2_546 1_545 ?
O7 Rb2 O5 123.68(16) 2_646 1_545 ?
O4 Rb2 O5 130.16(17) 2_546 1_545 ?
F1 Rb2 O8 107.44(14) . 2_646 ?
F1 Rb2 O8 91.15(14) 2_546 2_646 ?
O2 Rb2 O8 84.08(16) 1_545 2_646 ?
F3 Rb2 O8 95.31(14) . 2_646 ?
O2 Rb2 O8 125.47(16) 2_546 2_646 ?
O7 Rb2 O8 40.84(15) 2_646 2_646 ?
O4 Rb2 O8 63.62(16) 2_546 2_646 ?
O5 Rb2 O8 161.66(15) 1_545 2_646 ?
F1 Rb2 O4 106.89(14) . 1_545 ?
F1 Rb2 O4 76.52(14) 2_546 1_545 ?
O2 Rb2 O4 61.49(16) 1_545 1_545 ?
F3 Rb2 O4 101.31(14) . 1_545 ?
O2 Rb2 O4 75.85(17) 2_546 1_545 ?
O7 Rb2 O4 116.12(16) 2_646 1_545 ?
O4 Rb2 O4 128.15(9) 2_546 1_545 ?
O5 Rb2 O4 40.86(16) 1_545 1_545 ?
O8 Rb2 O4 145.37(16) 2_646 1_545 ?
F1 Rb2 N3 107.21(15) . 2_646 ?
F1 Rb2 N3 108.90(14) 2_546 2_646 ?
O2 Rb2 N3 82.80(16) 1_545 2_646 ?
F3 Rb2 N3 78.80(14) . 2_646 ?
O2 Rb2 N3 144.99(16) 2_546 2_646 ?
O7 Rb2 N3 21.63(15) 2_646 2_646 ?
O4 Rb2 N3 83.88(17) 2_546 2_646 ?
O5 Rb2 N3 140.88(16) 1_545 2_646 ?
O8 Rb2 N3 21.31(15) 2_646 2_646 ?
O4 Rb2 N3 136.82(17) 1_545 2_646 ?
F1 Rb2 O3 53.53(13) . . ?
F1 Rb2 O3 131.68(13) 2_546 . ?
O2 Rb2 O3 136.18(14) 1_545 . ?
F3 Rb2 O3 48.93(12) . . ?
O2 Rb2 O3 106.68(14) 2_546 . ?
O7 Rb2 O3 66.80(15) 2_646 . ?
O4 Rb2 O3 75.20(16) 2_546 . ?
O5 Rb2 O3 110.48(15) 1_545 . ?
O8 Rb2 O3 57.69(14) 2_646 . ?
O4 Rb2 O3 149.61(15) 1_545 . ?
N3 Rb2 O3 53.69(14) 2_646 . ?
F2 Rb3 F2 123.61(9) . 2_647 ?
F2 Rb3 O5 70.41(16) . 1_545 ?
F2 Rb3 O5 103.97(15) 2_647 1_545 ?
F2 Rb3 F3 55.32(12) . . ?
F2 Rb3 F3 174.27(13) 2_647 . ?
O5 Rb3 F3 70.31(15) 1_545 . ?
F2 Rb3 O6 93.37(17) . 2_647 ?
F2 Rb3 O6 67.82(16) 2_647 2_647 ?
O5 Rb3 O6 154.28(18) 1_545 2_647 ?
F3 Rb3 O6 117.39(16) . 2_647 ?
F2 Rb3 O1 123.84(15) . 2_646 ?
F2 Rb3 O1 91.85(14) 2_647 2_646 ?
O5 Rb3 O1 147.02(17) 1_545 2_646 ?
F3 Rb3 O1 93.06(14) . 2_646 ?
O6 Rb3 O1 58.66(17) 2_647 2_646 ?
F2 Rb3 O9 158.79(15) . 1_545 ?
F2 Rb3 O9 64.97(14) 2_647 1_545 ?
O5 Rb3 O9 88.96(18) 1_545 1_545 ?
F3 Rb3 O9 113.95(15) . 1_545 ?
O6 Rb3 O9 107.70(19) 2_647 1_545 ?
O1 Rb3 O9 71.58(16) 2_646 1_545 ?
F2 Rb3 O9 65.04(14) . 2_647 ?
F2 Rb3 O9 60.51(14) 2_647 2_647 ?
O5 Rb3 O9 71.47(17) 1_545 2_647 ?
F3 Rb3 O9 116.57(15) . 2_647 ?
O6 Rb3 O9 83.72(17) 2_647 2_647 ?
O1 Rb3 O9 140.52(16) 2_646 2_647 ?
O9 Rb3 O9 113.87(15) 1_545 2_647 ?
F2 Rb3 O3 118.78(13) . 2_646 ?
F2 Rb3 O3 116.43(13) 2_647 2_646 ?
O5 Rb3 O3 106.77(16) 1_545 2_646 ?
F3 Rb3 O3 66.14(14) . 2_646 ?
O6 Rb3 O3 98.48(16) 2_647 2_646 ?
O1 Rb3 O3 40.62(15) 2_646 2_646 ?
O9 Rb3 O3 61.54(14) 1_545 2_646 ?
O9 Rb3 O3 175.30(15) 2_647 2_646 ?
F2 Rb3 N1 115.05(14) . 2_646 ?
F2 Rb3 N1 111.20(14) 2_647 2_646 ?
O5 Rb3 N1 128.04(17) 1_545 2_646 ?
F3 Rb3 N1 73.18(15) . 2_646 ?
O6 Rb3 N1 76.53(17) 2_647 2_646 ?
O1 Rb3 N1 21.56(15) 2_646 2_646 ?
O9 Rb3 N1 73.54(16) 1_545 2_646 ?
O9 Rb3 N1 160.23(16) 2_647 2_646 ?
O3 Rb3 N1 22.47(14) 2_646 2_646 ?
F2 Rb3 O7 53.94(13) . . ?
F2 Rb3 O7 135.32(13) 2_647 . ?
O5 Rb3 O7 113.24(16) 1_545 . ?
F3 Rb3 O7 49.60(12) . . ?
O6 Rb3 O7 67.92(16) 2_647 . ?
O1 Rb3 O7 70.09(14) 2_646 . ?
O9 Rb3 O7 136.50(15) 1_545 . ?
O9 Rb3 O7 108.68(14) 2_647 . ?
O3 Rb3 O7 76.01(13) 2_646 . ?
N1 Rb3 O7 63.25(15) 2_646 . ?
F2 Rb3 N2 87.61(14) . 1_545 ?
F2 Rb3 N2 91.35(14) 2_647 1_545 ?
O5 Rb3 N2 17.65(17) 1_545 1_545 ?
F3 Rb3 N2 83.03(14) . 1_545 ?
O6 Rb3 N2 155.52(16) 2_647 1_545 ?
O1 Rb3 N2 138.20(16) 2_646 1_545 ?
O9 Rb3 N2 72.25(17) 1_545 1_545 ?
O9 Rb3 N2 74.53(15) 2_647 1_545 ?
O3 Rb3 N2 102.45(14) 2_646 1_545 ?
N1 Rb3 N2 124.92(15) 2_646 1_545 ?
O7 Rb3 N2 129.61(14) . 1_545 ?
Sb1 F1 Rb2 113.06(19) . . ?
Sb1 F1 Rb2 128.44(19) . 2_556 ?
Rb2 F1 Rb2 106.01(14) . 2_556 ?
Sb1 F1 Rb1 107.73(17) . . ?
Rb2 F1 Rb1 111.15(14) . . ?
Rb2 F1 Rb1 87.09(12) 2_556 . ?
Sb1 F3 Rb3 106.39(17) . . ?
Sb1 F3 Rb2 105.10(18) . . ?
Rb3 F3 Rb2 108.06(14) . . ?
Sb1 F2 Rb1 112.44(18) . . ?
Sb1 F2 Rb3 108.37(18) . . ?
Rb1 F2 Rb3 107.36(14) . . ?
Sb1 F2 Rb3 136.1(2) . 2_657 ?
Rb1 F2 Rb3 89.22(12) . 2_657 ?
Rb3 F2 Rb3 99.90(13) . 2_657 ?
N3 O8 Rb1 129.3(5) . 1_655 ?
N3 O8 Rb1 108.4(4) . 2_657 ?
Rb1 O8 Rb1 99.34(17) 1_655 2_657 ?
N3 O8 Rb2 93.1(4) . 2_656 ?
Rb1 O8 Rb2 83.67(14) 1_655 2_656 ?
Rb1 O8 Rb2 148.2(2) 2_657 2_656 ?
N1 O1 Rb1 107.5(4) . 2_556 ?
N1 O1 Rb3 97.2(4) . 2_656 ?
Rb1 O1 Rb3 120.32(19) 2_556 2_656 ?
N1 O1 Rb1 148.9(5) . 1_554 ?
Rb1 O1 Rb1 97.26(15) 2_556 1_554 ?
Rb3 O1 Rb1 85.80(14) 2_656 1_554 ?
N3 O9 Rb3 136.4(5) . 1_565 ?
N3 O9 Rb3 127.5(5) . 2_657 ?
Rb3 O9 Rb3 95.43(15) 1_565 2_657 ?
N3 O9 Rb1 88.8(4) . 2_657 ?
Rb3 O9 Rb1 79.91(14) 1_565 2_657 ?
Rb3 O9 Rb1 93.66(16) 2_657 2_657 ?
N1 O2 Rb2 139.9(5) . 1_565 ?
N1 O2 Rb2 122.7(5) . 2_556 ?
Rb2 O2 Rb2 97.03(16) 1_565 2_556 ?
N1 O2 Rb1 89.6(4) . 2_556 ?
Rb2 O2 Rb1 79.58(14) 1_565 2_556 ?
Rb2 O2 Rb1 97.03(17) 2_556 2_556 ?
N3 O7 Sb1 116.7(4) . . ?
N3 O7 Rb2 95.6(4) . 2_656 ?
Sb1 O7 Rb2 121.1(2) . 2_656 ?
N3 O7 Rb3 112.0(4) . . ?
Sb1 O7 Rb3 81.59(15) . . ?
Rb2 O7 Rb3 131.6(2) 2_656 . ?
N2 O4 Rb2 149.7(5) . 2_556 ?
N2 O4 Rb2 97.4(5) . 1_565 ?
Rb2 O4 Rb2 92.86(17) 2_556 1_565 ?
N2 O4 Rb1 96.0(5) . . ?
Rb2 O4 Rb1 74.73(14) 2_556 . ?
Rb2 O4 Rb1 166.5(2) 1_565 . ?
O1 N1 O2 122.5(7) . . ?
O1 N1 O3 118.6(6) . . ?
O2 N1 O3 118.8(6) . . ?
O1 N1 Rb3 61.2(4) . 2_656 ?
O2 N1 Rb3 134.9(5) . 2_656 ?
O3 N1 Rb3 74.8(4) . 2_656 ?
O1 N1 Rb1 52.9(4) . 2_556 ?
O2 N1 Rb1 69.7(4) . 2_556 ?
O3 N1 Rb1 170.6(4) . 2_556 ?
Rb3 N1 Rb1 96.34(16) 2_656 2_556 ?
N2 O5 Rb3 117.9(5) . 1_565 ?
N2 O5 Rb2 102.1(5) . 1_565 ?
Rb3 O5 Rb2 107.22(19) 1_565 1_565 ?
N2 O5 Rb1 125.6(5) . 1_565 ?
Rb3 O5 Rb1 100.33(19) 1_565 1_565 ?
Rb2 O5 Rb1 101.54(19) 1_565 1_565 ?
N1 O3 Sb1 110.6(4) . . ?
N1 O3 Rb3 82.7(4) . 2_656 ?
Sb1 O3 Rb3 130.3(2) . 2_656 ?
N1 O3 Rb2 110.5(4) . . ?
Sb1 O3 Rb2 81.93(14) . . ?
Rb3 O3 Rb2 139.73(17) 2_656 . ?
O6 N2 O4 120.3(8) . . ?
O6 N2 O5 120.1(7) . . ?
O4 N2 O5 119.5(7) . . ?
O6 N2 Rb2 176.5(5) . 1_565 ?
O4 N2 Rb2 62.1(4) . 1_565 ?
O5 N2 Rb2 57.5(4) . 1_565 ?
O6 N2 Rb3 96.3(5) . 1_565 ?
O4 N2 Rb3 127.2(5) . 1_565 ?
O5 N2 Rb3 44.5(4) . 1_565 ?
Rb2 N2 Rb3 83.48(15) 1_565 1_565 ?
N2 O6 Rb3 128.9(5) . 2_657 ?
N2 O6 Rb1 117.0(5) . 2_557 ?
Rb3 O6 Rb1 113.88(19) 2_657 2_557 ?
N2 O6 Rb1 107.3(5) . . ?
Rb3 O6 Rb1 79.87(16) 2_657 . ?
Rb1 O6 Rb1 86.65(18) 2_557 . ?
O8 N3 O9 121.1(7) . . ?
O8 N3 O7 118.2(6) . . ?
O9 N3 O7 120.6(7) . . ?
O8 N3 Rb2 65.6(4) . 2_656 ?
O9 N3 Rb2 145.7(5) . 2_656 ?
O7 N3 Rb2 62.8(3) . 2_656 ?
O8 N3 Rb1 52.1(4) . 2_657 ?
O9 N3 Rb1 70.3(4) . 2_657 ?
O7 N3 Rb1 166.2(5) . 2_657 ?
Rb2 N3 Rb1 113.79(19) 2_656 2_657 ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.40
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.055
_refine_diff_density_min         -0.656
_refine_diff_density_rms         0.161
