#------------------------------------------------------------------------------
#$Date: 2020-10-06 10:00:19 +0200 (mar 06 de oct de 2020) $
#$Revision: 257475 $
#$URL: svn://www.crystallography.net/cod/cif/7/23/96/7239652.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7239652
loop_
_publ_author_name
'Arenaza-Corona, Antonino'
'Villamil-Ramos, Raúl'
'Guerrero-Álvarez, Jorge'
'Höpfl, Herbert'
'Barba, Victor'
_publ_section_title
;
 Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons
 for 1D, 2D and 3D supramolecular structure arrangements
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              1063
_journal_page_last               1077
_journal_paper_doi               10.1039/C9CE01755K
_journal_volume                  22
_journal_year                    2020
_chemical_formula_moiety         '0.25(C64 H128 N8 O24 Rb8 S16)'
_chemical_formula_sum            'C16 H32 N2 O6 Rb2 S4'
_chemical_formula_weight         647.61
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_date             2018-10-30
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-08-01 deposited with the CCDC.	2019-12-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.753(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.2315(4)
_cell_length_b                   18.1852(6)
_cell_length_c                   10.9088(4)
_cell_measurement_reflns_used    2415
_cell_measurement_temperature    99.99(10)
_cell_measurement_theta_max      28.3500
_cell_measurement_theta_min      2.9190
_cell_volume                     2600.85(15)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0769
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.852
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -53.00   34.00   1.0000    7.4900
omega____ theta____ kappa____ phi______ frames
    -       15.2374  -38.0000  150.0000 87

#__ type_ start__ end____ width___ exp.time_
  2 omega   37.00   74.00   1.0000    7.4900
omega____ theta____ kappa____ phi______ frames
    -       15.2374  178.0000   90.0000 37

#__ type_ start__ end____ width___ exp.time_
  3 omega  -10.00   78.00   1.0000    7.4900
omega____ theta____ kappa____ phi______ frames
    -       15.2374   19.0000  -30.0000 88
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0468328000
_diffrn_orient_matrix_UB_12      -0.0195139000
_diffrn_orient_matrix_UB_13      -0.0061391000
_diffrn_orient_matrix_UB_21      -0.0005752000
_diffrn_orient_matrix_UB_22      0.0025481000
_diffrn_orient_matrix_UB_23      0.0647796000
_diffrn_orient_matrix_UB_31      -0.0270818000
_diffrn_orient_matrix_UB_32      0.0336775000
_diffrn_orient_matrix_UB_33      -0.0084603000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_av_unetI/netI     0.0447
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.852
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            6019
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.852
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.180
_diffrn_reflns_theta_min         2.535
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    4.116
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.58443
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_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    1.654
_exptl_crystal_description       prism
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.539
_refine_diff_density_min         -0.571
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     158
_refine_ls_number_reflns         2996
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0432
_refine_ls_R_factor_gt           0.0317
_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)+(0.0190P)²+1.4800P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0551
_refine_ls_wR_factor_ref         0.0583
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2531
_reflns_number_total             2996
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ce01755k2.cif
_cod_data_source_block           e62vb
_cod_depositor_comments
;Adding full bibliography for 7239651--7239656.cif.

 Adding full bibliography for 7239651--7239656.cif.
;
_cod_original_cell_volume        2600.87(16)
_cod_database_code               7239652
_shelx_shelxl_version_number     2014/7
_chemical_oxdiff_formula         'C H N  O S Rb'
_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.
;
_reflns_odcompleteness_completeness 99.89
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C3(H3A,H3B), C2(H2A,H2B), C4(H4A,H4B)
2.b Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C)
;
_olex2_submission_special_instructions 'No special instructions were received'
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'
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
Rb1 Rb 0.5000 0.22264(2) 0.7500 0.01313(9) Uani 1 2 d S T P
Rb2 Rb 0.5000 0.45339(2) 0.7500 0.01400(9) Uani 1 2 d S T P
S1 S 0.77650(5) 0.13382(4) 0.29249(6) 0.01580(15) Uani 1 1 d . . .
S2 S 0.88298(5) 0.05685(4) 0.51473(6) 0.01634(15) Uani 1 1 d . . .
O2 O 0.34292(12) 0.10984(9) 0.68106(14) 0.0123(4) Uani 1 1 d . . .
O1 O 0.50445(12) 0.12644(9) 0.53095(14) 0.0130(4) Uani 1 1 d . . .
O3 O 0.53989(14) 0.32388(11) 0.94296(17) 0.0205(4) Uani 1 1 d . . .
N1 N 0.72684(15) 0.14849(10) 0.52038(18) 0.0124(4) Uani 1 1 d . . .
C6 C 0.2967(2) 0.08089(14) 0.7827(2) 0.0146(5) Uani 1 1 d . . .
C1 C 0.78937(18) 0.11607(13) 0.4477(2) 0.0118(5) Uani 1 1 d . . .
C7 C 0.74899(19) 0.14577(13) 0.6560(2) 0.0145(5) Uani 1 1 d . . .
H7A H 0.7241 0.1908 0.6892 0.017 Uiso 1 1 calc R . .
H7B H 0.8224 0.1447 0.6788 0.017 Uiso 1 1 calc R . .
C3 C 0.54427(18) 0.15617(14) 0.4264(2) 0.0134(5) Uani 1 1 d . . .
H3A H 0.4951 0.1898 0.3827 0.016 Uiso 1 1 calc R . .
H3B H 0.5563 0.1168 0.3701 0.016 Uiso 1 1 calc R . .
C2 C 0.64262(18) 0.19623(13) 0.4674(2) 0.0139(5) Uani 1 1 d . . .
H2A H 0.6630 0.2220 0.3969 0.017 Uiso 1 1 calc R . .
H2B H 0.6306 0.2328 0.5285 0.017 Uiso 1 1 calc R . .
C5 C 0.3748(2) 0.05329(15) 0.6051(2) 0.0163(6) Uani 1 1 d . . .
C4 C 0.41225(19) 0.08671(14) 0.4942(2) 0.0163(6) Uani 1 1 d . . .
H4A H 0.4244 0.0483 0.4363 0.020 Uiso 1 1 calc R . .
H4B H 0.3608 0.1197 0.4531 0.020 Uiso 1 1 calc R . .
C8 C 0.6358(2) 0.33187(16) 1.0183(3) 0.0258(7) Uani 1 1 d . . .
H8A H 0.6342 0.3067 1.0954 0.039 Uiso 1 1 calc GR . .
H8B H 0.6495 0.3831 1.0338 0.039 Uiso 1 1 calc GR . .
H8C H 0.6885 0.3112 0.9764 0.039 Uiso 1 1 calc GR . .
H5A H 0.4275(19) 0.0250(13) 0.653(2) 0.008(6) Uiso 1 1 d . . .
H5B H 0.3205(19) 0.0209(13) 0.579(2) 0.010(6) Uiso 1 1 d . . .
H6A H 0.2474(19) 0.0439(13) 0.753(2) 0.010(6) Uiso 1 1 d . . .
H6B H 0.347(2) 0.0549(14) 0.841(2) 0.020(7) Uiso 1 1 d . . .
H3 H 0.502(3) 0.3508(18) 0.970(3) 0.045(11) Uiso 1 1 d . . .
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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O2 Rb1 Rb2 134.15(3) 2_656 .
O2 Rb1 Rb2 134.15(3) . .
O2 Rb1 O2 91.69(6) . 2_656
O2 Rb1 O1 72.85(4) 2_656 .
O2 Rb1 O1 58.25(4) 2_656 2_656
O2 Rb1 O1 58.25(4) . .
O2 Rb1 O1 72.85(4) . 2_656
O2 Rb1 C5 77.98(6) . 2_656
O2 Rb1 C5 20.34(5) . .
O2 Rb1 C5 20.34(5) 2_656 2_656
O2 Rb1 C5 77.98(6) 2_656 .
O1 Rb1 Rb2 126.11(3) . .
O1 Rb1 Rb2 126.11(3) 2_656 .
O1 Rb1 O1 107.78(6) 2_656 .
O1 Rb1 C5 78.42(5) . 2_656
O1 Rb1 C5 39.76(5) . .
O1 Rb1 C5 39.76(5) 2_656 2_656
O1 Rb1 C5 78.42(5) 2_656 .
O3 Rb1 Rb2 48.76(4) 2_656 .
O3 Rb1 Rb2 48.76(4) . .
O3 Rb1 O2 134.98(5) 2_656 2_656
O3 Rb1 O2 134.98(5) . .
O3 Rb1 O2 102.22(5) . 2_656
O3 Rb1 O2 102.22(5) 2_656 .
O3 Rb1 O1 166.66(5) 2_656 2_656
O3 Rb1 O1 166.66(5) . .
O3 Rb1 O1 78.70(5) 2_656 .
O3 Rb1 O1 78.70(5) . 2_656
O3 Rb1 O3 97.52(8) . 2_656
O3 Rb1 C5 152.64(5) 2_656 2_656
O3 Rb1 C5 101.32(6) . 2_656
O3 Rb1 C5 152.64(6) . .
O3 Rb1 C5 101.32(6) 2_656 .
C5 Rb1 Rb2 145.33(5) . .
C5 Rb1 Rb2 145.33(5) 2_656 .
C5 Rb1 C5 69.34(9) 2_656 .
Rb1 Rb2 H3 52.1(6) . .
S1 Rb2 Rb1 62.562(12) 7_656 .
S1 Rb2 Rb1 62.562(12) 8_456 .
S1 Rb2 S1 125.12(2) 8_456 7_656
S1 Rb2 S2 51.214(15) 7_656 7_656
S1 Rb2 S2 51.214(15) 8_456 8_456
S1 Rb2 S2 125.228(16) 7_656 8_456
S1 Rb2 S2 125.228(16) 8_456 7_656
S1 Rb2 H3 61.7(7) 8_456 .
S1 Rb2 H3 84.8(7) 7_656 .
S2 Rb2 Rb1 86.916(12) 7_656 .
S2 Rb2 Rb1 86.916(12) 8_456 .
S2 Rb2 Rb1 123.777(12) 4_656 .
S2 Rb2 Rb1 123.777(13) 3_455 .
S2 Rb2 S1 92.567(15) 3_455 8_456
S2 Rb2 S1 117.878(15) 3_455 7_656
S2 Rb2 S1 117.878(15) 4_656 8_456
S2 Rb2 S1 92.567(15) 4_656 7_656
S2 Rb2 S2 66.889(18) 3_455 7_656
S2 Rb2 S2 173.83(2) 7_656 8_456
S2 Rb2 S2 116.893(17) 3_455 8_456
S2 Rb2 S2 116.893(17) 4_656 7_656
S2 Rb2 S2 112.45(3) 4_656 3_455
S2 Rb2 S2 66.889(18) 4_656 8_456
S2 Rb2 H3 77.7(6) 4_656 .
S2 Rb2 H3 132.1(6) 7_656 .
S2 Rb2 H3 153.5(7) 3_455 .
S2 Rb2 H3 42.6(6) 8_456 .
O3 Rb2 Rb1 41.72(3) 2_656 .
O3 Rb2 Rb1 41.72(3) . .
O3 Rb2 S1 68.63(4) 2_656 7_656
O3 Rb2 S1 68.63(4) . 8_456
O3 Rb2 S1 71.12(4) . 7_656
O3 Rb2 S1 71.13(4) 2_656 8_456
O3 Rb2 S2 159.91(4) . 3_455
O3 Rb2 S2 57.08(4) 2_656 7_656
O3 Rb2 S2 57.08(4) . 8_456
O3 Rb2 S2 83.73(4) . 4_656
O3 Rb2 S2 117.59(4) 2_656 8_456
O3 Rb2 S2 83.73(3) 2_656 3_455
O3 Rb2 S2 117.59(4) . 7_656
O3 Rb2 S2 159.91(4) 2_656 4_656
O3 Rb2 O3 83.44(7) 2_656 .
O3 Rb2 H3 93.0(6) 2_656 .
O3 Rb2 H3 14.5(6) . .
C1 S1 Rb2 94.23(8) . 7_656
Rb2 S2 Rb2 113.110(18) 3_545 7_656
C1 S2 Rb2 153.67(8) . 3_545
C1 S2 Rb2 93.21(8) . 7_656
C6 O2 Rb1 114.66(13) . .
C5 O2 Rb1 113.51(13) . .
C5 O2 C6 112.05(18) . .
C3 O1 Rb1 118.04(13) . .
C3 O1 C4 111.16(17) . .
C4 O1 Rb1 114.54(12) . .
Rb1 O3 Rb2 89.52(5) . .
Rb1 O3 H3 129(3) . .
Rb2 O3 H3 74(2) . .
C8 O3 Rb1 124.44(16) . .
C8 O3 Rb2 111.39(15) . .
C8 O3 H3 106(3) . .
C1 N1 C7 121.3(2) . .
C1 N1 C2 121.2(2) . .
C2 N1 C7 116.99(18) . .
O2 C6 C7 106.89(19) . 2_656
O2 C6 H6A 109.5(14) . .
O2 C6 H6B 110.6(15) . .
C7 C6 H6A 113.6(14) 2_656 .
C7 C6 H6B 111.5(15) 2_656 .
H6A C6 H6B 105(2) . .
S1 C1 S2 120.48(14) . .
N1 C1 S1 120.68(18) . .
N1 C1 S2 118.84(18) . .
N1 C7 C6 115.5(2) . 2_656
N1 C7 H7A 108.4 . .
N1 C7 H7B 108.4 . .
C6 C7 H7A 108.4 2_656 .
C6 C7 H7B 108.4 2_656 .
H7A C7 H7B 107.5 . .
O1 C3 H3A 109.6 . .
O1 C3 H3B 109.6 . .
O1 C3 C2 110.09(19) . .
H3A C3 H3B 108.2 . .
C2 C3 H3A 109.6 . .
C2 C3 H3B 109.6 . .
N1 C2 C3 114.23(19) . .
N1 C2 H2A 108.7 . .
N1 C2 H2B 108.7 . .
C3 C2 H2A 108.7 . .
C3 C2 H2B 108.7 . .
H2A C2 H2B 107.6 . .
Rb1 C5 H5A 87.9(14) . .
Rb1 C5 H5B 156.4(14) . .
O2 C5 Rb1 46.14(10) . .
O2 C5 C4 109.5(2) . .
O2 C5 H5A 108.8(14) . .
O2 C5 H5B 110.7(14) . .
C4 C5 Rb1 80.29(14) . .
C4 C5 H5A 111.1(14) . .
C4 C5 H5B 109.5(14) . .
H5A C5 H5B 107.2(19) . .
O1 C4 C5 110.0(2) . .
O1 C4 H4A 109.7 . .
O1 C4 H4B 109.7 . .
C5 C4 H4A 109.7 . .
C5 C4 H4B 109.7 . .
H4A C4 H4B 108.2 . .
O3 C8 H8A 109.5 . .
O3 C8 H8B 109.5 . .
O3 C8 H8C 109.5 . .
H8A C8 H8B 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rb1 Rb2 4.1962(5) .
Rb1 O2 2.9447(16) .
Rb1 O2 2.9447(16) 2_656
Rb1 O1 2.9685(16) 2_656
Rb1 O1 2.9685(16) .
Rb1 O3 2.7927(19) .
Rb1 O3 2.7928(19) 2_656
Rb1 C5 3.745(3) .
Rb1 C5 3.745(3) 2_656
Rb2 S1 3.4417(6) 8_456
Rb2 S1 3.4417(6) 7_656
Rb2 S2 3.4610(6) 8_456
Rb2 S2 3.3841(7) 4_656
Rb2 S2 3.4610(6) 7_656
Rb2 S2 3.3841(7) 3_455
Rb2 O3 3.155(2) .
Rb2 O3 3.155(2) 2_656
Rb2 H3 3.04(3) .
S1 Rb2 3.4417(6) 7_656
S1 C1 1.709(2) .
S2 Rb2 3.4609(6) 7_656
S2 Rb2 3.3841(7) 3_545
S2 C1 1.728(2) .
O2 C6 1.437(3) .
O2 C5 1.420(3) .
O1 C3 1.426(3) .
O1 C4 1.428(3) .
O3 C8 1.423(3) .
O3 H3 0.79(3) .
N1 C1 1.356(3) .
N1 C7 1.470(3) .
N1 C2 1.468(3) .
C6 C7 1.521(3) 2_656
C6 H6A 0.96(2) .
C6 H6B 0.98(3) .
C7 C6 1.521(3) 2_656
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C3 C2 1.506(3) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C5 C4 1.497(3) .
C5 H5A 0.96(2) .
C5 H5B 0.94(2) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
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_4
Rb1 O2 C6 C7 57.7(2) . 2_656
Rb1 O2 C5 C4 -53.9(2) . .
Rb1 O1 C3 C2 46.0(2) . .
Rb1 O1 C4 C5 -45.6(2) . .
Rb1 C5 C4 O1 31.51(16) . .
Rb2 S1 C1 S2 -9.56(15) 7_656 .
Rb2 S1 C1 N1 170.03(18) 7_656 .
Rb2 S2 C1 S1 -169.56(7) 3_545 .
Rb2 S2 C1 S1 9.50(14) 7_656 .
Rb2 S2 C1 N1 10.8(3) 3_545 .
Rb2 S2 C1 N1 -170.10(18) 7_656 .
O2 C5 C4 O1 67.8(3) . .
O1 C3 C2 N1 66.8(2) . .
C6 O2 C5 Rb1 -131.9(2) . .
C6 O2 C5 C4 174.2(2) . .
C1 N1 C7 C6 -90.4(3) . 2_656
C1 N1 C2 C3 88.1(3) . .
C7 N1 C1 S1 -167.70(17) . .
C7 N1 C1 S2 11.9(3) . .
C7 N1 C2 C3 -100.2(2) . .
C3 O1 C4 C5 177.4(2) . .
C2 N1 C1 S1 3.6(3) . .
C2 N1 C1 S2 -176.76(16) . .
C2 N1 C7 C6 97.9(2) . 2_656
C5 O2 C6 C7 -171.0(2) . 2_656
C4 O1 C3 C2 -178.69(19) . .
