 
data_1
 
_audit_creation_method            'SHELXL-2014/7'
_shelx_SHELXL_version_number      '2014/7'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C16 H0 B8 F32 N5.33 Rb2.67' 
_chemical_formula_weight          1189.28

loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'C'  'C'   0.0033   0.0016
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H'  'H'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'B'  'B'   0.0013   0.0007
 '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'
 'N'  'N'   0.0061   0.0033
 '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'
 
_space_group_crystal_system       cubic
_space_group_IT_number            226
_space_group_name_H-M_alt         'F m -3 c'
_space_group_name_Hall            '-F 4c 2 3'
 
_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.
;
 
loop_
 _space_group_symop_operation_xyz
 'x, y, z'
 '-y, x, z+1/2'
 '-x, -y, z'
 'y, -x, z+1/2'
 'x, -y, -z'
 'y, x, -z+1/2'
 '-x, y, -z'
 '-y, -x, -z+1/2'
 'z, x, y'
 '-x, z, y+1/2'
 '-z, -x, y'
 'x, -z, y+1/2'
 'z, -x, -y'
 'x, z, -y+1/2'
 '-z, x, -y'
 '-x, -z, -y+1/2'
 'y, z, x'
 '-z+1/2, -y, -x'
 '-z+1/2, y, x'
 'z+1/2, y, -x'
 'z+1/2, -y, x'
 'y, -z+1/2, -x+1/2'
 '-y, -z+1/2, x+1/2'
 '-y, z+1/2, -x+1/2'
 'x, y+1/2, z+1/2'
 '-y, x+1/2, z+1'
 '-x, -y+1/2, z+1/2'
 'y, -x+1/2, z+1'
 'x, -y+1/2, -z+1/2'
 'y, x+1/2, -z+1'
 '-x, y+1/2, -z+1/2'
 '-y, -x+1/2, -z+1'
 'z, x+1/2, y+1/2'
 '-x, z+1/2, y+1'
 '-z, -x+1/2, y+1/2'
 'x, -z+1/2, y+1'
 'z, -x+1/2, -y+1/2'
 'x, z+1/2, -y+1'
 '-z, x+1/2, -y+1/2'
 '-x, -z+1/2, -y+1'
 'y, z+1/2, x+1/2'
 '-z+1/2, -y+1/2, -x+1/2'
 '-z+1/2, y+1/2, x+1/2'
 'z+1/2, y+1/2, -x+1/2'
 'z+1/2, -y+1/2, x+1/2'
 'y, -z+1, -x+1'
 '-y, -z+1, x+1'
 '-y, z+1, -x+1'
 'x+1/2, y, z+1/2'
 '-y+1/2, x, z+1'
 '-x+1/2, -y, z+1/2'
 'y+1/2, -x, z+1'
 'x+1/2, -y, -z+1/2'
 'y+1/2, x, -z+1'
 '-x+1/2, y, -z+1/2'
 '-y+1/2, -x, -z+1'
 'z+1/2, x, y+1/2'
 '-x+1/2, z, y+1'
 '-z+1/2, -x, y+1/2'
 'x+1/2, -z, y+1'
 'z+1/2, -x, -y+1/2'
 'x+1/2, z, -y+1'
 '-z+1/2, x, -y+1/2'
 '-x+1/2, -z, -y+1'
 'y+1/2, z, x+1/2'
 '-z+1, -y, -x+1/2'
 '-z+1, y, x+1/2'
 'z+1, y, -x+1/2'
 'z+1, -y, x+1/2'
 'y+1/2, -z+1/2, -x+1'
 '-y+1/2, -z+1/2, x+1'
 '-y+1/2, z+1/2, -x+1'
 'x+1/2, y+1/2, z'
 '-y+1/2, x+1/2, z+1/2'
 '-x+1/2, -y+1/2, z'
 'y+1/2, -x+1/2, z+1/2'
 'x+1/2, -y+1/2, -z'
 'y+1/2, x+1/2, -z+1/2'
 '-x+1/2, y+1/2, -z'
 '-y+1/2, -x+1/2, -z+1/2'
 'z+1/2, x+1/2, y'
 '-x+1/2, z+1/2, y+1/2'
 '-z+1/2, -x+1/2, y'
 'x+1/2, -z+1/2, y+1/2'
 'z+1/2, -x+1/2, -y'
 'x+1/2, z+1/2, -y+1/2'
 '-z+1/2, x+1/2, -y'
 '-x+1/2, -z+1/2, -y+1/2'
 'y+1/2, z+1/2, x'
 '-z+1, -y+1/2, -x'
 '-z+1, y+1/2, x'
 'z+1, y+1/2, -x'
 'z+1, -y+1/2, x'
 'y+1/2, -z+1, -x+1/2'
 '-y+1/2, -z+1, x+1/2'
 '-y+1/2, z+1, -x+1/2'
 '-x, -y, -z'
 'y, -x, -z-1/2'
 'x, y, -z'
 '-y, x, -z-1/2'
 '-x, y, z'
 '-y, -x, z-1/2'
 'x, -y, z'
 'y, x, z-1/2'
 '-z, -x, -y'
 'x, -z, -y-1/2'
 'z, x, -y'
 '-x, z, -y-1/2'
 '-z, x, y'
 '-x, -z, y-1/2'
 'z, -x, y'
 'x, z, y-1/2'
 '-y, -z, -x'
 'z-1/2, y, x'
 'z-1/2, -y, -x'
 '-z-1/2, -y, x'
 '-z-1/2, y, -x'
 '-y, z-1/2, x-1/2'
 'y, z-1/2, -x-1/2'
 'y, -z-1/2, x-1/2'
 '-x, -y+1/2, -z+1/2'
 'y, -x+1/2, -z'
 'x, y+1/2, -z+1/2'
 '-y, x+1/2, -z'
 '-x, y+1/2, z+1/2'
 '-y, -x+1/2, z'
 'x, -y+1/2, z+1/2'
 'y, x+1/2, z'
 '-z, -x+1/2, -y+1/2'
 'x, -z+1/2, -y'
 'z, x+1/2, -y+1/2'
 '-x, z+1/2, -y'
 '-z, x+1/2, y+1/2'
 '-x, -z+1/2, y'
 'z, -x+1/2, y+1/2'
 'x, z+1/2, y'
 '-y, -z+1/2, -x+1/2'
 'z-1/2, y+1/2, x+1/2'
 'z-1/2, -y+1/2, -x+1/2'
 '-z-1/2, -y+1/2, x+1/2'
 '-z-1/2, y+1/2, -x+1/2'
 '-y, z, x'
 'y, z, -x'
 'y, -z, x'
 '-x+1/2, -y, -z+1/2'
 'y+1/2, -x, -z'
 'x+1/2, y, -z+1/2'
 '-y+1/2, x, -z'
 '-x+1/2, y, z+1/2'
 '-y+1/2, -x, z'
 'x+1/2, -y, z+1/2'
 'y+1/2, x, z'
 '-z+1/2, -x, -y+1/2'
 'x+1/2, -z, -y'
 'z+1/2, x, -y+1/2'
 '-x+1/2, z, -y'
 '-z+1/2, x, y+1/2'
 '-x+1/2, -z, y'
 'z+1/2, -x, y+1/2'
 'x+1/2, z, y'
 '-y+1/2, -z, -x+1/2'
 'z, y, x+1/2'
 'z, -y, -x+1/2'
 '-z, -y, x+1/2'
 '-z, y, -x+1/2'
 '-y+1/2, z-1/2, x'
 'y+1/2, z-1/2, -x'
 'y+1/2, -z-1/2, x'
 '-x+1/2, -y+1/2, -z'
 'y+1/2, -x+1/2, -z-1/2'
 'x+1/2, y+1/2, -z'
 '-y+1/2, x+1/2, -z-1/2'
 '-x+1/2, y+1/2, z'
 '-y+1/2, -x+1/2, z-1/2'
 'x+1/2, -y+1/2, z'
 'y+1/2, x+1/2, z-1/2'
 '-z+1/2, -x+1/2, -y'
 'x+1/2, -z+1/2, -y-1/2'
 'z+1/2, x+1/2, -y'
 '-x+1/2, z+1/2, -y-1/2'
 '-z+1/2, x+1/2, y'
 '-x+1/2, -z+1/2, y-1/2'
 'z+1/2, -x+1/2, y'
 'x+1/2, z+1/2, y-1/2'
 '-y+1/2, -z+1/2, -x'
 'z, y+1/2, x'
 'z, -y+1/2, -x'
 '-z, -y+1/2, x'
 '-z, y+1/2, -x'
 '-y+1/2, z, x-1/2'
 'y+1/2, z, -x-1/2'
 'y+1/2, -z, x-1/2'
 
_cell_length_a                    14.3410(5)
_cell_length_b                    14.3410(5)
_cell_length_c                    14.3410(5)
_cell_angle_alpha                 90
_cell_angle_beta                  90
_cell_angle_gamma                 90
_cell_volume                      2949.4(3)
_cell_formula_units_Z             3
_cell_measurement_temperature     348(2)
_cell_measurement_reflns_used     644
_cell_measurement_theta_min       2.8420
_cell_measurement_theta_max       29.9410
 
_exptl_crystal_description        block
_exptl_crystal_colour             ?
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     2.009          
_exptl_crystal_F_000              1680
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           ?
_exptl_crystal_size_mid           ?
_exptl_crystal_size_min           ?
_exptl_absorpt_coefficient_mu     3.484
_shelx_estimated_absorpt_T_min    ?
_shelx_estimated_absorpt_T_max    ?
_exptl_absorpt_correction_type    ?
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?
_exptl_absorpt_process_details    ?
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       348(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    ?
_diffrn_measurement_device_type   'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method        ?
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             906
_diffrn_reflns_av_unetI/netI      0.0128
_diffrn_reflns_av_R_equivalents   0.0132
_diffrn_reflns_limit_h_min        -7
_diffrn_reflns_limit_h_max        16
_diffrn_reflns_limit_k_min        -18
_diffrn_reflns_limit_k_max        12
_diffrn_reflns_limit_l_min        -17
_diffrn_reflns_limit_l_max        17
_diffrn_reflns_theta_min          2.841
_diffrn_reflns_theta_max          27.490
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.982
_diffrn_measured_fraction_theta_full  1.000
_diffrn_reflns_Laue_measured_fraction_max    0.982
_diffrn_reflns_Laue_measured_fraction_full   1.000
_diffrn_reflns_point_group_measured_fraction_max   0.982
_diffrn_reflns_point_group_measured_fraction_full  1.000
_reflns_number_total              165
_reflns_number_gt                 148
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_max      .
_reflns_Friedel_fraction_full     .
 
_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.
;
 
_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     ?
_computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
_refine_special_details           ?
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1091P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    .
_refine_ls_hydrogen_treatment     undef
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        .
_refine_ls_number_reflns          165
_refine_ls_number_parameters      16
_refine_ls_number_restraints      2
_refine_ls_R_factor_all           0.0543
_refine_ls_R_factor_gt            0.0514
_refine_ls_wR_factor_ref          0.1340
_refine_ls_wR_factor_gt           0.1310
_refine_ls_goodness_of_fit_ref    1.167
_refine_ls_restrained_S_all       1.172
_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_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 0.0000 0.0000 0.0000 0.0318(6) Uani 1 24 d S T P . .
F1 F 0.0000 0.19393(17) 0.07717(18) 0.0853(12) Uani 1 2 d S T P . .
B1 B 0.0000 0.2500 0.0000 0.048(3) Uani 1 8 d S T P . .
C1 C 0.1982(8) 0.1982(8) 0.1982(8) 0.069(4) Uani 0.375 3 d DS T P . .
N1 N 0.1982(8) 0.1982(8) 0.1982(8) 0.069(4) Uani 0.125 3 d DS T P . .
C2 C 0.2500 0.2500 0.1249(8) 0.171(15) Uani 0.5 4 d DS T P . .
N2 N 0.2500 0.2500 0.1249(8) 0.171(15) Uani 0.1667 4 d DS 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 F1 2.993(2) . ?
Rb1 F1 2.993(2) 113 ?
Rb1 F1 2.993(2) 17 ?
Rb1 F1 2.993(2) 97 ?
Rb1 F1 2.993(2) 105 ?
Rb1 F1 2.993(2) 9 ?
Rb1 F1 2.993(2) 142 ?
Rb1 F1 2.993(2) 46_544 ?
Rb1 F1 2.993(2) 11 ?
Rb1 F1 2.993(2) 107 ?
Rb1 F1 2.993(2) 99 ?
Rb1 F1 2.993(2) 3 ?
F1 B1 1.368(3) . ?
B1 F1 1.368(3) 187 ?
B1 F1 1.368(3) 99 ?
B1 F1 1.368(3) 90_455 ?
B1 Rb1 3.58525(13) 26_554 ?
C1 C2 1.486(7) . ?
C1 N2 1.486(7) 58_554 ?
C1 N2 1.486(7) 9 ?
C1 C2 1.486(7) 58_554 ?
C1 C2 1.486(7) 9 ?
C1 C1 1.49(2) 50_554 ?
C1 N1 1.49(2) 28_554 ?
C1 N1 1.49(2) 6 ?
C1 N1 1.49(2) 50_554 ?
C1 C1 1.49(2) 6 ?
C1 C1 1.49(2) 28_554 ?
C2 N1 1.486(7) 75 ?
C2 C1 1.486(7) 75 ?
C2 N1 1.486(7) 28_554 ?
C2 C1 1.486(7) 28_554 ?
C2 N1 1.486(7) 50_554 ?
C2 C1 1.486(7) 50_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
F1 Rb1 F1 110.09(4) . 113 ?
F1 Rb1 F1 69.91(4) . 17 ?
F1 Rb1 F1 180.00(10) 113 17 ?
F1 Rb1 F1 180.0 . 97 ?
F1 Rb1 F1 69.91(4) 113 97 ?
F1 Rb1 F1 110.09(4) 17 97 ?
F1 Rb1 F1 110.09(4) . 105 ?
F1 Rb1 F1 69.91(4) 113 105 ?
F1 Rb1 F1 110.09(4) 17 105 ?
F1 Rb1 F1 69.91(4) 97 105 ?
F1 Rb1 F1 69.91(4) . 9 ?
F1 Rb1 F1 110.09(4) 113 9 ?
F1 Rb1 F1 69.91(4) 17 9 ?
F1 Rb1 F1 110.09(4) 97 9 ?
F1 Rb1 F1 180.00(3) 105 9 ?
F1 Rb1 F1 69.91(4) . 142 ?
F1 Rb1 F1 43.40(10) 113 142 ?
F1 Rb1 F1 136.60(10) 17 142 ?
F1 Rb1 F1 110.09(4) 97 142 ?
F1 Rb1 F1 69.91(4) 105 142 ?
F1 Rb1 F1 110.09(4) 9 142 ?
F1 Rb1 F1 110.09(4) . 46_544 ?
F1 Rb1 F1 136.60(10) 113 46_544 ?
F1 Rb1 F1 43.40(10) 17 46_544 ?
F1 Rb1 F1 69.91(4) 97 46_544 ?
F1 Rb1 F1 110.09(4) 105 46_544 ?
F1 Rb1 F1 69.91(4) 9 46_544 ?
F1 Rb1 F1 180.00(10) 142 46_544 ?
F1 Rb1 F1 69.91(4) . 11 ?
F1 Rb1 F1 69.91(4) 113 11 ?
F1 Rb1 F1 110.09(4) 17 11 ?
F1 Rb1 F1 110.09(4) 97 11 ?
F1 Rb1 F1 136.60(10) 105 11 ?
F1 Rb1 F1 43.40(10) 9 11 ?
F1 Rb1 F1 69.91(4) 142 11 ?
F1 Rb1 F1 110.09(4) 46_544 11 ?
F1 Rb1 F1 110.09(4) . 107 ?
F1 Rb1 F1 110.09(4) 113 107 ?
F1 Rb1 F1 69.91(4) 17 107 ?
F1 Rb1 F1 69.91(4) 97 107 ?
F1 Rb1 F1 43.40(10) 105 107 ?
F1 Rb1 F1 136.60(10) 9 107 ?
F1 Rb1 F1 110.09(4) 142 107 ?
F1 Rb1 F1 69.91(4) 46_544 107 ?
F1 Rb1 F1 180.00(9) 11 107 ?
F1 Rb1 F1 43.40(10) . 99 ?
F1 Rb1 F1 110.09(4) 113 99 ?
F1 Rb1 F1 69.91(4) 17 99 ?
F1 Rb1 F1 136.60(10) 97 99 ?
F1 Rb1 F1 69.91(4) 105 99 ?
F1 Rb1 F1 110.09(4) 9 99 ?
F1 Rb1 F1 69.91(4) 142 99 ?
F1 Rb1 F1 110.09(4) 46_544 99 ?
F1 Rb1 F1 110.09(4) 11 99 ?
F1 Rb1 F1 69.91(4) 107 99 ?
F1 Rb1 F1 136.60(10) . 3 ?
F1 Rb1 F1 69.91(4) 113 3 ?
F1 Rb1 F1 110.09(4) 17 3 ?
F1 Rb1 F1 43.40(10) 97 3 ?
F1 Rb1 F1 110.09(4) 105 3 ?
F1 Rb1 F1 69.91(4) 9 3 ?
F1 Rb1 F1 110.09(4) 142 3 ?
F1 Rb1 F1 69.91(4) 46_544 3 ?
F1 Rb1 F1 69.91(4) 11 3 ?
F1 Rb1 F1 110.09(4) 107 3 ?
F1 Rb1 F1 180.00(10) 99 3 ?
B1 F1 Rb1 104.30(13) . . ?
F1 B1 F1 110.21(10) . 187 ?
F1 B1 F1 108.0(2) . 99 ?
F1 B1 F1 110.21(10) 187 99 ?
F1 B1 F1 110.21(10) . 90_455 ?
F1 B1 F1 108.0(2) 187 90_455 ?
F1 B1 F1 110.21(10) 99 90_455 ?
F1 B1 Rb1 54.00(10) . . ?
F1 B1 Rb1 126.00(10) 187 . ?
F1 B1 Rb1 54.00(10) 99 . ?
F1 B1 Rb1 126.00(10) 90_455 . ?
F1 B1 Rb1 126.00(10) . 26_554 ?
F1 B1 Rb1 54.00(10) 187 26_554 ?
F1 B1 Rb1 126.00(10) 99 26_554 ?
F1 B1 Rb1 54.00(10) 90_455 26_554 ?
Rb1 B1 Rb1 180.0 . 26_554 ?
C2 C1 N2 117.2 . 58_554 ?
C2 C1 N2 117.2 . 9 ?
N2 C1 N2 117.2(5) 58_554 9 ?
C2 C1 C2 117.2(5) . 58_554 ?
N2 C1 C2 0.0 58_554 58_554 ?
N2 C1 C2 117.2 9 58_554 ?
C2 C1 C2 117.2(5) . 9 ?
N2 C1 C2 117.2 58_554 9 ?
N2 C1 C2 0.0 9 9 ?
C2 C1 C2 117.2(5) 58_554 9 ?
C2 C1 C1 60.0(5) . 50_554 ?
N2 C1 C1 60.0(5) 58_554 50_554 ?
N2 C1 C1 135.0(9) 9 50_554 ?
C2 C1 C1 60.0(5) 58_554 50_554 ?
C2 C1 C1 135.0(9) 9 50_554 ?
C2 C1 N1 60.0(5) . 28_554 ?
N2 C1 N1 135.0(9) 58_554 28_554 ?
N2 C1 N1 60.0(5) 9 28_554 ?
C2 C1 N1 135.0(9) 58_554 28_554 ?
C2 C1 N1 60.0(5) 9 28_554 ?
C1 C1 N1 90.002(2) 50_554 28_554 ?
C2 C1 N1 135.0(9) . 6 ?
N2 C1 N1 60.0(5) 58_554 6 ?
N2 C1 N1 60.0(5) 9 6 ?
C2 C1 N1 60.0(5) 58_554 6 ?
C2 C1 N1 60.0(5) 9 6 ?
C1 C1 N1 90.002(2) 50_554 6 ?
N1 C1 N1 90.002(1) 28_554 6 ?
C2 C1 N1 60.0(5) . 50_554 ?
N2 C1 N1 60.0(5) 58_554 50_554 ?
N2 C1 N1 135.0(9) 9 50_554 ?
C2 C1 N1 60.0(5) 58_554 50_554 ?
C2 C1 N1 135.0(9) 9 50_554 ?
C1 C1 N1 0.0(8) 50_554 50_554 ?
N1 C1 N1 90.002(2) 28_554 50_554 ?
N1 C1 N1 90.002(2) 6 50_554 ?
C2 C1 C1 135.0(9) . 6 ?
N2 C1 C1 60.0(5) 58_554 6 ?
N2 C1 C1 60.0(5) 9 6 ?
C2 C1 C1 60.0(5) 58_554 6 ?
C2 C1 C1 60.0(5) 9 6 ?
C1 C1 C1 90.002(2) 50_554 6 ?
N1 C1 C1 90.0 28_554 6 ?
N1 C1 C1 0.0 6 6 ?
N1 C1 C1 90.0 50_554 6 ?
C2 C1 C1 60.0(5) . 28_554 ?
N2 C1 C1 135.0(9) 58_554 28_554 ?
N2 C1 C1 60.0(5) 9 28_554 ?
C2 C1 C1 135.0(9) 58_554 28_554 ?
C2 C1 C1 60.0(5) 9 28_554 ?
C1 C1 C1 90.002(2) 50_554 28_554 ?
N1 C1 C1 0.0 28_554 28_554 ?
N1 C1 C1 90.0 6 28_554 ?
N1 C1 C1 90.0 50_554 28_554 ?
C1 C1 C1 90.002(1) 6 28_554 ?
C1 C2 N1 90.0 . 75 ?
C1 C2 C1 90.0(18) . 75 ?
N1 C2 C1 0.0 75 75 ?
C1 C2 N1 60.0 . 28_554 ?
N1 C2 N1 60.0(10) 75 28_554 ?
C1 C2 N1 60.0(10) 75 28_554 ?
C1 C2 C1 60.0(10) . 28_554 ?
N1 C2 C1 60.0 75 28_554 ?
C1 C2 C1 60.0(10) 75 28_554 ?
N1 C2 C1 0.0 28_554 28_554 ?
C1 C2 N1 60.0 . 50_554 ?
N1 C2 N1 60.0(10) 75 50_554 ?
C1 C2 N1 60.0(10) 75 50_554 ?
N1 C2 N1 90.0(18) 28_554 50_554 ?
C1 C2 N1 90.0(18) 28_554 50_554 ?
C1 C2 C1 60.0(10) . 50_554 ?
N1 C2 C1 60.0 75 50_554 ?
C1 C2 C1 60.0(10) 75 50_554 ?
N1 C2 C1 90.0 28_554 50_554 ?
C1 C2 C1 90.0(18) 28_554 50_554 ?
N1 C2 C1 0.0 50_554 50_554 ?
 
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 F1 B1 F1 -120.45(6) . . . 187 ?
Rb1 F1 B1 F1 0.0 . . . 99 ?
Rb1 F1 B1 F1 120.45(6) . . . 90_455 ?
Rb1 F1 B1 Rb1 180.0 . . . 26_554 ?
N2 C1 C2 N1 -73.7(14) 58_554 . . 75 ?
N2 C1 C2 N1 73.7(14) 9 . . 75 ?
C2 C1 C2 N1 -73.7(14) 58_554 . . 75 ?
C2 C1 C2 N1 73.7(14) 9 . . 75 ?
C1 C1 C2 N1 -54.7(4) 50_554 . . 75 ?
N1 C1 C2 N1 54.7(4) 28_554 . . 75 ?
N1 C1 C2 N1 0.000(2) 6 . . 75 ?
N1 C1 C2 N1 -54.7(4) 50_554 . . 75 ?
C1 C1 C2 N1 0.000(2) 6 . . 75 ?
C1 C1 C2 N1 54.7(4) 28_554 . . 75 ?
N2 C1 C2 C1 -73.7(14) 58_554 . . 75 ?
N2 C1 C2 C1 73.7(14) 9 . . 75 ?
C2 C1 C2 C1 -73.7(14) 58_554 . . 75 ?
C2 C1 C2 C1 73.7(14) 9 . . 75 ?
C1 C1 C2 C1 -54.7(4) 50_554 . . 75 ?
N1 C1 C2 C1 54.7(4) 28_554 . . 75 ?
N1 C1 C2 C1 0.000(2) 6 . . 75 ?
N1 C1 C2 C1 -54.7(4) 50_554 . . 75 ?
C1 C1 C2 C1 0.000(2) 6 . . 75 ?
C1 C1 C2 C1 54.7(4) 28_554 . . 75 ?
N2 C1 C2 N1 -128.4(10) 58_554 . . 28_554 ?
N2 C1 C2 N1 19.0(18) 9 . . 28_554 ?
C2 C1 C2 N1 -128.4(10) 58_554 . . 28_554 ?
C2 C1 C2 N1 19.0(18) 9 . . 28_554 ?
C1 C1 C2 N1 -109.5(8) 50_554 . . 28_554 ?
N1 C1 C2 N1 -54.7(4) 6 . . 28_554 ?
N1 C1 C2 N1 -109.5(8) 50_554 . . 28_554 ?
C1 C1 C2 N1 -54.7(4) 6 . . 28_554 ?
C1 C1 C2 N1 0.000(2) 28_554 . . 28_554 ?
N2 C1 C2 C1 -128.4(10) 58_554 . . 28_554 ?
N2 C1 C2 C1 19.0(18) 9 . . 28_554 ?
C2 C1 C2 C1 -128.4(10) 58_554 . . 28_554 ?
C2 C1 C2 C1 19.0(18) 9 . . 28_554 ?
C1 C1 C2 C1 -109.5(8) 50_554 . . 28_554 ?
N1 C1 C2 C1 0.000(2) 28_554 . . 28_554 ?
N1 C1 C2 C1 -54.7(4) 6 . . 28_554 ?
N1 C1 C2 C1 -109.5(8) 50_554 . . 28_554 ?
C1 C1 C2 C1 -54.7(4) 6 . . 28_554 ?
N2 C1 C2 N1 -19.0(18) 58_554 . . 50_554 ?
N2 C1 C2 N1 128.4(10) 9 . . 50_554 ?
C2 C1 C2 N1 -19.0(18) 58_554 . . 50_554 ?
C2 C1 C2 N1 128.4(10) 9 . . 50_554 ?
C1 C1 C2 N1 0.000(1) 50_554 . . 50_554 ?
N1 C1 C2 N1 109.5(8) 28_554 . . 50_554 ?
N1 C1 C2 N1 54.7(4) 6 . . 50_554 ?
C1 C1 C2 N1 54.7(4) 6 . . 50_554 ?
C1 C1 C2 N1 109.5(8) 28_554 . . 50_554 ?
N2 C1 C2 C1 -19.0(18) 58_554 . . 50_554 ?
N2 C1 C2 C1 128.4(10) 9 . . 50_554 ?
C2 C1 C2 C1 -19.0(18) 58_554 . . 50_554 ?
C2 C1 C2 C1 128.4(10) 9 . . 50_554 ?
N1 C1 C2 C1 109.5(8) 28_554 . . 50_554 ?
N1 C1 C2 C1 54.7(4) 6 . . 50_554 ?
N1 C1 C2 C1 0.000(1) 50_554 . . 50_554 ?
C1 C1 C2 C1 54.7(4) 6 . . 50_554 ?
C1 C1 C2 C1 109.5(8) 28_554 . . 50_554 ?
 
_refine_diff_density_max    0.755
_refine_diff_density_min   -0.509
_refine_diff_density_rms    0.129



