#------------------------------------------------------------------------------
#$Date: 2025-12-08 23:55:59 +0100 (Mon 08 de Dec de 2025) $
#$Revision: 304128 $
#$URL: svn://www.crystallography.net/cod/cif/7/13/53/7135308.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_7135308
loop_
_publ_author_name
'Burnett, Stuart'
'Kennedy, Alan'
'Mansell, Stephen M.'
'Weetman, Catherine Ellen'
_publ_section_title
;
 Fluorenyl-Tethered N-Heterocyclic Carbene Complexes of the Heavy Alkali
 Metals
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D5CC06477E
_journal_year                    2026
_chemical_formula_moiety         'C27 H25 N2 Rb1'
_chemical_formula_sum            'C27 H25 N2 Rb'
_chemical_formula_weight         462.96
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2025-07-07
_audit_creation_method
;
Olex2 1.5
(compiled 2025.05.31 svn.r86d253d1 for OlexSys, GUI svn.r7254)
;
_audit_update_record
;
2025-11-10 deposited with the CCDC.	2025-12-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.790(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.3566(1)
_cell_length_b                   11.8396(1)
_cell_length_c                   26.4983(3)
_cell_measurement_reflns_used    25445
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      72.6930
_cell_measurement_theta_min      3.1290
_cell_volume                     4409.06(7)
_computing_cell_refinement       'CrysAlisPro 1.171.44.94a (Rigaku OD, 2025)'
_computing_data_collection
'CrysAlisPro system (CCD 44.94a 64-bit (release 17-02-2025))'
_computing_data_reduction        'CrysAlisPro 1.171.44.94a (Rigaku OD, 2025)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix3000
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -106.00 -75.00   0.50    5.00    --  -40.33 156.00 -17.00   62
  2  ω    -72.00 -26.00   0.50    5.00    --  -40.33 120.00-173.00   92
  3  ω    -96.00 -53.00   0.50    5.00    --  -40.33-156.00 -54.00   86
  4  ω     55.00 103.00   0.50    5.00    --   40.33 156.00 -17.00   96
  5  ω     76.00 102.00   0.50    5.00    --   40.33-156.00 -54.00   52
  6  ω     36.00  61.00   0.50    5.00    --   40.33-156.00 -54.00   50
  7  ω     21.00  47.00   0.50    5.00    --   40.33-120.00 102.00   52
  8  ω   -110.00 -84.00   0.50   10.00    -- -104.00 156.00 -17.00   52
  9  ω   -131.00-106.00   0.50   10.00    -- -104.00-156.00 -54.00   50
 10  ω   -132.00-106.00   0.50   10.00    -- -104.00-120.00 102.00   52
 11  ω    -99.00 -74.00   0.50   10.00    -- -104.00 120.00-173.00   50
 12  ω     60.00  85.00   0.50   10.00    --  104.00-156.00 -54.00   50
 13  ω     51.00  76.00   0.50   10.00    --  104.00-120.00 102.00   50
 14  ω     83.00 108.00   0.50   10.00    --  104.00 156.00 -17.00   50
 15  ω   -108.00 -17.00   0.50    5.00    --  -40.33 -64.00 -30.00  182
 16  ω   -109.00 -13.00   0.50    5.00    --  -40.33 -77.00 -60.00  192
 17  ω    -20.00  28.00   0.50    5.00    --  -40.33  25.00 150.00   96
 18  ω   -106.00 -26.00   0.50    5.00    --  -40.33 -38.00 150.00  160
 19  ω    -31.00  30.00   0.50    5.00    --  -40.33  25.00 -60.00  122
 20  ω    -28.00  -3.00   0.50    5.00    --  -40.33  64.00 150.00   50
 21  ω   -115.00 -41.00   0.50    5.00    --  -40.33-178.00 -90.00  148
 22  ω    -63.00 -30.00   0.50    5.00    --  -40.33  64.00 150.00   66
 23  ω    -51.00 -26.00   0.50    5.00    --  -40.33  50.00 -30.00   50
 24  ω     33.00  58.00   0.50    5.00    --   40.33  64.00  30.00   50
 25  ω    -29.00  18.00   0.50    5.00    --   40.33 -25.00   0.00   94
 26  ω     62.00  87.00   0.50    5.00    --   40.33-178.00  30.00   50
 27  ω     63.00 108.00   0.50    5.00    --   40.33 178.00-120.00   90
 28  ω     91.00 117.00   0.50    5.00    --   40.33-178.00  30.00   52
 29  ω     14.00  39.00   0.50    5.00    --   40.33 -64.00 -60.00   50
 30  ω     26.00  52.00   0.50    5.00    --   40.33  38.00 150.00   52
 31  ω     77.00 103.00   0.50    5.00    --   40.33  25.00-120.00   52
 32  ω     32.00  64.00   0.50    5.00    --   40.33  25.00-120.00   64
 33  ω     30.00  65.00   0.50    5.00    --   40.33-112.00-180.00   70
 34  ω     81.00 106.00   0.50    5.00    --   40.33  64.00  30.00   50
 35  ω    -25.00   8.00   0.50    5.00    --   40.33 -12.00 -30.00   66
 36  ω   -168.00 -77.00   0.50   10.00    -- -104.00 -77.00 -60.00  182
 37  ω   -104.00 -60.00   0.50   10.00    -- -104.00  77.00 120.00   88
 38  ω   -115.00 -90.00   0.50   10.00    -- -104.00 -25.00-180.00   50
 39  ω   -158.00-122.00   0.50   10.00    -- -104.00 -25.00-180.00   72
 40  ω    -68.00 -36.00   0.50   10.00    -- -104.00  59.00   0.00   64
 41  ω   -106.00 -81.00   0.50   10.00    -- -104.00  96.00-120.00   50
 42  ω   -105.00 -76.00   0.50   10.00    -- -104.00  96.00 -90.00   58
 43  ω    -56.00 -30.00   0.50   10.00    -- -104.00  96.00 -90.00   52
 44  ω    -63.00 -36.00   0.50   10.00    -- -104.00 136.00  56.13   54
 45  ω    -78.00 -30.00   0.50   10.00    -- -104.00  96.00-150.00   96
 46  ω   -174.00 -98.00   0.50   10.00    -- -104.00 -25.00  90.00  152
 47  ω   -121.00 -96.00   0.50   10.00    -- -104.00 136.00  56.13   50
 48  ω   -105.00 -35.00   0.50   10.00    -- -104.00  77.00-150.00  140
 49  ω    -76.00 -50.00   0.50   10.00    -- -104.00 145.00  90.00   52
 50  ω   -127.00-101.00   0.50   10.00    -- -104.00 145.00  90.00   52
 51  ω   -171.00 -82.00   0.50   10.00    -- -104.00 -59.00   0.00  178
 52  ω   -108.00 -80.00   0.50   10.00    -- -104.00 -68.00-150.00   56
 53  ω   -103.00 -35.00   0.50   10.00    -- -104.00  77.00 -90.00  136
 54  ω   -157.00-131.00   0.50   10.00    -- -104.00 -68.00-150.00   52
 55  ω    -78.00 -40.00   0.50   10.00    -- -104.00 117.00 120.00   76
 56  ω    -75.00 -49.00   0.50   10.00    -- -104.00  68.00  90.00   52
 57  ω   -169.00-143.00   0.50   10.00    -- -104.00 -25.00-120.00   52
 58  ω   -104.00 -79.00   0.50   10.00    -- -104.00-117.00 -30.00   50
 59  ω    -68.00 -39.00   0.50   10.00    -- -104.00  59.00  60.00   58
 60  ω   -172.00-137.00   0.50   10.00    -- -104.00 -96.00 120.00   70
 61  ω   -109.00 -83.00   0.50   10.00    -- -104.00 117.00 120.00   52
 62  ω    -79.00 -54.00   0.50   10.00    -- -104.00  68.00-150.00   50
 63  ω    -71.00 -35.00   0.50   10.00    -- -104.00 145.00-120.00   72
 64  ω   -152.00-127.00   0.50   10.00    -- -104.00 -72.00-121.21   50
 65  ω   -127.00 -86.00   0.50   10.00    -- -104.00 145.00-120.00   82
 66  ω   -162.00-114.00   0.50   10.00    -- -104.00 -77.00 -90.00   96
 67  ω    -91.00 -38.00   0.50   10.00    -- -104.00  77.00   0.00  106
 68  ω   -109.00 -42.00   0.50   10.00    -- -104.00 117.00 -30.00  134
 69  ω   -148.00-102.00   0.50   10.00    -- -104.00 -42.00-120.00   92
 70  ω    -68.00 -39.00   0.50   10.00    -- -104.00  59.00 150.00   58
 71  ω    -55.00 -30.00   0.50   10.00    -- -104.00  96.00-120.00   50
 72  ω    -95.00 -69.00   0.50   10.00    -- -104.00  96.00 150.00   52
 73  ω    -87.00 -36.00   0.50   10.00    -- -104.00  70.00 -44.58  102
 74  ω   -131.00 -90.00   0.50   10.00    -- -104.00 -33.00  90.00   82
 75  ω   -133.00-106.00   0.50   10.00    -- -104.00 -25.00 120.00   54
 76  ω   -147.00-122.00   0.50   10.00    -- -104.00 -33.00 -30.00   50
 77  ω   -126.00-100.00   0.50   10.00    -- -104.00 -33.00-120.00   52
 78  ω   -128.00 -80.00   0.50   10.00    -- -104.00 -68.00-180.00   96
 79  ω   -104.00 -78.00   0.50   10.00    -- -104.00  89.00  90.13   52
 80  ω    -86.00 -36.00   0.50   10.00    -- -104.00  77.00  90.00  100
 81  ω   -171.00-135.00   0.50   10.00    -- -104.00 -68.00-180.00   72
 82  ω    -65.00 -40.00   0.50   10.00    -- -104.00 117.00 -90.00   50
 83  ω    -69.00 -34.00   0.50   10.00    -- -104.00  89.00  90.13   70
 84  ω   -112.00 -43.00   0.50   10.00    -- -104.00 128.00 -13.57  138
 85  ω   -110.00 -84.00   0.50   10.00    -- -104.00 117.00 -90.00   52
 86  ω   -115.00 -90.00   0.50   10.00    -- -104.00 -25.00  30.00   50
 87  ω   -149.00-100.00   0.50   10.00    -- -104.00 -87.00-150.00   98
 88  ω   -172.00 -82.00   0.50   10.00    -- -104.00 -59.00 -30.00  180
 89  ω   -103.00 -42.00   0.50   10.00    -- -104.00  96.00 120.00  122
 90  ω   -168.00-118.00   0.50   10.00    -- -104.00 -77.00  60.00  100
 91  ω   -102.00 -77.00   0.50   10.00    -- -104.00 -77.00  60.00   50
 92  ω   -105.00 -60.00   0.50   10.00    -- -104.00 117.00-120.00   90
 93  ω   -109.00 -40.00   0.50   10.00    -- -104.00 117.00 -60.00  138
 94  ω   -105.00 -63.00   0.50   10.00    -- -104.00  86.00-128.49   84
 95  ω    -90.00 -64.00   0.50   10.00    -- -104.00  77.00  30.00   52
 96  ω    -99.00 -73.00   0.50   10.00    -- -104.00 102.00  75.45   52
 97  ω    -99.00 -73.00   0.50   10.00    -- -104.00  96.00 -30.00   52
 98  ω    -56.00 -31.00   0.50   10.00    -- -104.00  96.00  60.00   50
 99  ω   -146.00 -94.00   0.50   10.00    -- -104.00 -33.00  30.00  104
100  ω   -155.00-130.00   0.50   10.00    -- -104.00 -33.00 150.00   50
101  ω   -168.00-114.00   0.50   10.00    -- -104.00-123.00-102.39  108
102  ω   -159.00-126.00   0.50   10.00    -- -104.00 -42.00-150.00   66
103  ω   -150.00-125.00   0.50   10.00    -- -104.00 -42.00 -30.00   50
104  ω   -122.00 -96.00   0.50   10.00    -- -104.00 -42.00   0.00   52
105  ω   -149.00-117.00   0.50   10.00    -- -104.00-121.00 126.08   64
106  ω   -151.00-125.00   0.50   10.00    -- -104.00 -97.00  36.01   52
107  ω     42.00  67.00   0.50   10.00    --  104.00 -59.00  90.00   50
108  ω    131.00 156.00   0.50   10.00    --  104.00  59.00 -30.00   50
109  ω    107.00 135.00   0.50   10.00    --  104.00 117.00  30.00   56
110  ω    116.00 141.00   0.50   10.00    --  104.00  25.00 -60.00   50
111  ω     98.00 123.00   0.50   10.00    --  104.00 120.00-173.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'XtaLAB Synergy, Single source at home/near, HyPix3000'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0283894000
_diffrn_orient_matrix_UB_12      0.0765279000
_diffrn_orient_matrix_UB_13      0.0476917000
_diffrn_orient_matrix_UB_21      -0.0204495000
_diffrn_orient_matrix_UB_22      0.1052425000
_diffrn_orient_matrix_UB_23      -0.0346835000
_diffrn_orient_matrix_UB_31      -0.1039002000
_diffrn_orient_matrix_UB_32      0.0001526000
_diffrn_orient_matrix_UB_33      0.0070250000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0686
_diffrn_reflns_av_unetI/netI     0.0342
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            67895
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        70.000
_diffrn_reflns_theta_max         73.674
_diffrn_reflns_theta_min         6.339
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    3.192
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.81487
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.44.94a (Rigaku Oxford Diffraction, 2025)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_description       prism
_exptl_crystal_F_000             1904
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.476
_refine_diff_density_min         -0.663
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     547
_refine_ls_number_reflns         8826
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0638
_refine_ls_R_factor_gt           0.0561
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0914P)²+5.1553P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1452
_refine_ls_wR_factor_ref         0.1512
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7577
_reflns_number_total             8826
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5cc06477e2.cif
_cod_data_source_block           sb060_auto_smart_abs
_cod_original_formula_sum        'C27 H25 N2 Rb1'
_cod_database_code               7135308
_shelx_shelxl_version_number     2019/3
_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.
;
_shelx_estimated_absorpt_t_max   0.857
_shelx_estimated_absorpt_t_min   0.664
_diffrn_oxdiff_digest_hkl
;
433accf712b20bdf206ff08c2448da5e7fcf54
;
_diffrn_oxdiff_digest_od_ed
;

;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C5(H5A,H5B), C31(H31A,H31B), C32(H32A,H32B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C8(H8), C9(H9), C10(H10), C11(H11), C14(H14), C15(H15),
 C16(H16), C17(H17), C21(H21), C23(H23), C29(H29), C30(H30), C35(H35), C36(H36),
  C37(H37), C38(H38), C41(H41), C42(H42), C43(H43), C44(H44), C48(H48), C50(H50)
2.c Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C52(H52A,H52B,
 H52C), C53(H53A,H53B,H53C), C54(H54A,H54B,H54C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.416
_oxdiff_exptl_absorpt_empirical_full_min 0.793
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Rb1 Rb 0.93672(2) 0.46671(3) 0.73071(2) 0.03909(12) Uani 1 1 d . . . . .
Rb2 Rb 0.55372(2) 0.78605(3) 0.78227(2) 0.04268(12) Uani 1 1 d . . . . .
N1 N 0.7208(2) 0.6785(2) 0.65595(12) 0.0368(6) Uani 1 1 d . . . . .
N2 N 0.7479(2) 0.5428(2) 0.60869(12) 0.0372(6) Uani 1 1 d . . . . .
N3 N 0.7779(2) 0.5840(2) 0.86114(12) 0.0367(6) Uani 1 1 d . . . . .
N4 N 0.7463(2) 0.7252(2) 0.90419(12) 0.0383(6) Uani 1 1 d . . . . .
C1 C 0.7665(2) 0.5772(3) 0.65881(14) 0.0354(7) Uani 1 1 d . . . . .
C2 C 0.6763(3) 0.7066(3) 0.60632(16) 0.0443(8) Uani 1 1 d . . . . .
H2 H 0.641297 0.773487 0.595631 0.053 Uiso 1 1 calc R U . . .
C3 C 0.6922(3) 0.6207(3) 0.57617(16) 0.0467(9) Uani 1 1 d . . . . .
H3 H 0.670101 0.614253 0.539970 0.056 Uiso 1 1 calc R U . . .
C4 C 0.7244(2) 0.7552(3) 0.69898(14) 0.0366(7) Uani 1 1 d . . . . .
H4A H 0.737756 0.711433 0.731504 0.044 Uiso 1 1 calc R U . . .
H4B H 0.661402 0.791510 0.696111 0.044 Uiso 1 1 calc R U . . .
C5 C 0.8008(2) 0.8474(3) 0.70129(15) 0.0365(7) Uani 1 1 d . . . . .
H5A H 0.783383 0.896172 0.670439 0.044 Uiso 1 1 calc R U . . .
H5B H 0.801280 0.895190 0.732009 0.044 Uiso 1 1 calc R U . . .
C6 C 0.8991(2) 0.8013(3) 0.70371(14) 0.0337(7) Uani 1 1 d . . . . .
C7 C 0.9543(2) 0.7419(3) 0.74512(14) 0.0329(7) Uani 1 1 d . . . . .
C8 C 0.9385(2) 0.7156(3) 0.79509(14) 0.0377(7) Uani 1 1 d . . . . .
H8 H 0.881630 0.739519 0.805001 0.045 Uiso 1 1 calc R U . . .
C9 C 1.0057(3) 0.6554(3) 0.82903(15) 0.0425(8) Uani 1 1 d . . . . .
H9 H 0.994629 0.637717 0.862277 0.051 Uiso 1 1 calc R U . . .
C10 C 1.0912(3) 0.6193(3) 0.81522(15) 0.0423(8) Uani 1 1 d . . . . .
H10 H 1.136344 0.576882 0.839037 0.051 Uiso 1 1 calc R U . . .
C11 C 1.1093(2) 0.6451(3) 0.76769(14) 0.0368(7) Uani 1 1 d . . . . .
H11 H 1.167338 0.621799 0.758980 0.044 Uiso 1 1 calc R U . . .
C12 C 1.0423(2) 0.7059(3) 0.73186(14) 0.0341(7) Uani 1 1 d . . . . .
C13 C 1.0393(2) 0.7422(3) 0.68000(14) 0.0342(7) Uani 1 1 d . . . . .
C14 C 1.1027(2) 0.7284(3) 0.64634(14) 0.0360(7) Uani 1 1 d . . . . .
H14 H 1.161166 0.689456 0.657455 0.043 Uiso 1 1 calc R U . . .
C15 C 1.0793(3) 0.7719(3) 0.59718(15) 0.0414(8) Uani 1 1 d . . . . .
H15 H 1.121607 0.762739 0.574215 0.050 Uiso 1 1 calc R U . . .
C16 C 0.9925(3) 0.8300(3) 0.58081(15) 0.0419(8) Uani 1 1 d . . . . .
H16 H 0.977716 0.859948 0.546848 0.050 Uiso 1 1 calc R U . . .
C17 C 0.9288(3) 0.8446(3) 0.61261(14) 0.0393(7) Uani 1 1 d . . . . .
H17 H 0.870898 0.884108 0.600637 0.047 Uiso 1 1 calc R U . . .
C18 C 0.9500(2) 0.8005(3) 0.66318(14) 0.0336(7) Uani 1 1 d . . . . .
C19 C 0.7789(3) 0.4384(3) 0.59066(13) 0.0379(7) Uani 1 1 d . . . . .
C20 C 0.7348(3) 0.3377(3) 0.60101(14) 0.0380(7) Uani 1 1 d . . . . .
C21 C 0.7636(3) 0.2387(3) 0.58062(14) 0.0404(8) Uani 1 1 d . . . . .
H21 H 0.733938 0.169817 0.586824 0.048 Uiso 1 1 calc R U . . .
C22 C 0.8337(3) 0.2362(3) 0.55160(14) 0.0423(8) Uani 1 1 d . . . . .
C23 C 0.8765(3) 0.3375(3) 0.54282(14) 0.0439(8) Uani 1 1 d . . . . .
H23 H 0.925100 0.336891 0.523314 0.053 Uiso 1 1 calc R U . . .
C24 C 0.8503(3) 0.4399(3) 0.56173(14) 0.0412(8) Uani 1 1 d . . . . .
C25 C 0.6608(3) 0.3365(3) 0.63365(17) 0.0482(9) Uani 1 1 d . . . . .
H25A H 0.626633 0.264394 0.629118 0.072 Uiso 1 1 calc R U . . .
H25B H 0.615809 0.398530 0.623176 0.072 Uiso 1 1 calc R U . . .
H25C H 0.691708 0.345856 0.669959 0.072 Uiso 1 1 calc R U . . .
C26 C 0.8623(3) 0.1255(3) 0.53068(16) 0.0525(10) Uani 1 1 d . . . . .
H26A H 0.811758 0.100099 0.502256 0.079 Uiso 1 1 calc R U . . .
H26B H 0.872348 0.068571 0.558120 0.079 Uiso 1 1 calc R U . . .
H26C H 0.921326 0.135965 0.518089 0.079 Uiso 1 1 calc R U . . .
C27 C 0.8969(3) 0.5491(3) 0.55075(16) 0.0498(9) Uani 1 1 d . . . . .
H27A H 0.952336 0.532298 0.535740 0.075 Uiso 1 1 calc R U . . .
H27B H 0.917303 0.591233 0.582938 0.075 Uiso 1 1 calc R U . . .
H27C H 0.851301 0.594502 0.526439 0.075 Uiso 1 1 calc R U . . .
C28 C 0.7289(2) 0.6833(3) 0.85500(14) 0.0369(7) Uani 1 1 d . . . . .
C29 C 0.8230(3) 0.5649(3) 0.91182(16) 0.0447(8) Uani 1 1 d . . . . .
H29 H 0.860770 0.501219 0.924718 0.054 Uiso 1 1 calc R U . . .
C30 C 0.8028(3) 0.6541(3) 0.93920(16) 0.0462(9) Uani 1 1 d . . . . .
H30 H 0.823250 0.665969 0.975227 0.055 Uiso 1 1 calc R U . . .
C31 C 0.7764(2) 0.5026(3) 0.81999(15) 0.0378(7) Uani 1 1 d . . . . .
H31A H 0.839779 0.466608 0.824344 0.045 Uiso 1 1 calc R U . . .
H31B H 0.763863 0.542777 0.786511 0.045 Uiso 1 1 calc R U . . .
C32 C 0.7010(2) 0.4108(3) 0.81893(16) 0.0412(8) Uani 1 1 d . . . . .
H32A H 0.702994 0.359037 0.789835 0.049 Uiso 1 1 calc R U . . .
H32B H 0.717292 0.366261 0.851154 0.049 Uiso 1 1 calc R U . . .
C33 C 0.6013(2) 0.4549(3) 0.81355(16) 0.0390(8) Uani 1 1 d . . . . .
C34 C 0.5461(2) 0.5063(3) 0.77009(15) 0.0373(7) Uani 1 1 d . . . . .
C35 C 0.5636(3) 0.5326(3) 0.72089(15) 0.0428(8) Uani 1 1 d . . . . .
H35 H 0.622796 0.512384 0.712673 0.051 Uiso 1 1 calc R U . . .
C36 C 0.4960(3) 0.5872(4) 0.68459(16) 0.0477(9) Uani 1 1 d . . . . .
H36 H 0.509244 0.604232 0.651722 0.057 Uiso 1 1 calc R U . . .
C37 C 0.4072(3) 0.6181(4) 0.69581(16) 0.0512(10) Uani 1 1 d . . . . .
H37 H 0.361279 0.655780 0.670505 0.061 Uiso 1 1 calc R U . . .
C38 C 0.3871(3) 0.5938(3) 0.74337(16) 0.0452(9) Uani 1 1 d . . . . .
H38 H 0.326956 0.613856 0.750390 0.054 Uiso 1 1 calc R U . . .
C39 C 0.4545(2) 0.5400(3) 0.78137(15) 0.0380(7) Uani 1 1 d . . . . .
C40 C 0.4567(2) 0.5084(3) 0.83358(15) 0.0367(7) Uani 1 1 d . . . . .
C41 C 0.3907(3) 0.5214(3) 0.86583(16) 0.0407(8) Uani 1 1 d . . . . .
H41 H 0.330074 0.553802 0.852693 0.049 Uiso 1 1 calc R U . . .
C42 C 0.4143(3) 0.4869(3) 0.91642(17) 0.0459(9) Uani 1 1 d . . . . .
H42 H 0.370230 0.496571 0.938410 0.055 Uiso 1 1 calc R U . . .
C43 C 0.5035(3) 0.4373(3) 0.93559(18) 0.0484(9) Uani 1 1 d . . . . .
H43 H 0.518422 0.413115 0.970497 0.058 Uiso 1 1 calc R U . . .
C44 C 0.5698(3) 0.4228(3) 0.90523(17) 0.0458(9) Uani 1 1 d . . . . .
H44 H 0.629993 0.390194 0.919237 0.055 Uiso 1 1 calc R U . . .
C45 C 0.5475(3) 0.4570(3) 0.85303(16) 0.0401(8) Uani 1 1 d . . . . .
C46 C 0.7089(3) 0.8310(3) 0.91739(13) 0.0372(7) Uani 1 1 d . . . . .
C47 C 0.6226(3) 0.8321(3) 0.93419(13) 0.0385(7) Uani 1 1 d . . . . .
C48 C 0.5874(3) 0.9357(3) 0.94630(14) 0.0400(8) Uani 1 1 d . . . . .
H48 H 0.527810 0.938222 0.956603 0.048 Uiso 1 1 calc R U . . .
C49 C 0.6371(3) 1.0359(3) 0.94373(14) 0.0417(8) Uani 1 1 d . . . . .
C50 C 0.7233(3) 1.0309(3) 0.92742(15) 0.0443(8) Uani 1 1 d . . . . .
H50 H 0.758228 1.098567 0.926022 0.053 Uiso 1 1 calc R U . . .
C51 C 0.7600(3) 0.9292(3) 0.91308(15) 0.0431(8) Uani 1 1 d . . . . .
C52 C 0.5712(3) 0.7238(3) 0.94060(17) 0.0484(9) Uani 1 1 d . . . . .
H52A H 0.558786 0.682152 0.907945 0.073 Uiso 1 1 calc R U . . .
H52B H 0.510710 0.741198 0.950594 0.073 Uiso 1 1 calc R U . . .
H52C H 0.610583 0.677564 0.967424 0.073 Uiso 1 1 calc R U . . .
C53 C 0.6001(3) 1.1470(3) 0.95912(17) 0.0503(9) Uani 1 1 d . . . . .
H53A H 0.536631 1.136157 0.966573 0.075 Uiso 1 1 calc R U . . .
H53B H 0.596463 1.201351 0.930865 0.075 Uiso 1 1 calc R U . . .
H53C H 0.643252 1.175967 0.989924 0.075 Uiso 1 1 calc R U . . .
C54 C 0.8511(3) 0.9261(4) 0.8939(2) 0.0607(12) Uani 1 1 d . . . . .
H54A H 0.893828 0.869750 0.913480 0.091 Uiso 1 1 calc R U . . .
H54B H 0.881437 1.000593 0.898452 0.091 Uiso 1 1 calc R U . . .
H54C H 0.837649 0.905941 0.857279 0.091 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Rb Rb -0.4688 1.6079 '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'
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'
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
C1 Rb1 C6 168.42(9) . 2_746 ?
C1 Rb1 C7 71.44(9) . . ?
C1 Rb1 C7 143.32(9) . 2_746 ?
C1 Rb1 C8 82.27(9) . . ?
C1 Rb1 C9 105.35(9) . . ?
C1 Rb1 C10 121.42(9) . . ?
C1 Rb1 C11 111.81(9) . . ?
C1 Rb1 C12 86.81(9) . . ?
C1 Rb1 C12 127.53(9) . 2_746 ?
C1 Rb1 C13 133.94(8) . 2_746 ?
C1 Rb1 C18 155.22(8) . 2_746 ?
C6 Rb1 C7 120.10(8) 2_746 . ?
C6 Rb1 C8 108.72(9) 2_746 . ?
C6 Rb1 C9 85.49(9) 2_746 . ?
C6 Rb1 C10 70.16(9) 2_746 . ?
C6 Rb1 C13 39.93(8) 2_746 2_746 ?
C6 Rb1 C18 23.57(8) 2_746 2_746 ?
C7 Rb1 C6 25.25(9) 2_746 2_746 ?
C7 Rb1 C7 143.85(3) 2_746 . ?
C7 Rb1 C8 133.71(9) 2_746 . ?
C7 Rb1 C8 24.49(9) . . ?
C7 Rb1 C9 110.44(9) 2_746 . ?
C7 Rb1 C9 42.29(9) . . ?
C7 Rb1 C10 50.30(9) . . ?
C7 Rb1 C10 95.05(9) 2_746 . ?
C7 Rb1 C11 100.07(9) 2_746 . ?
C7 Rb1 C12 26.24(8) 2_746 2_746 ?
C7 Rb1 C12 122.71(8) 2_746 . ?
C7 Rb1 C13 40.15(8) 2_746 2_746 ?
C7 Rb1 C13 132.43(8) . 2_746 ?
C7 Rb1 C18 116.54(8) . 2_746 ?
C7 Rb1 C18 39.25(8) 2_746 2_746 ?
C8 Rb1 C9 23.28(9) . . ?
C8 Rb1 C13 109.05(8) . 2_746 ?
C8 Rb1 C18 97.35(8) . 2_746 ?
C9 Rb1 C13 90.45(9) . 2_746 ?
C9 Rb1 C18 75.15(8) . 2_746 ?
C10 Rb1 C8 42.27(9) . . ?
C10 Rb1 C9 24.15(9) . . ?
C10 Rb1 C13 89.85(9) . 2_746 ?
C10 Rb1 C18 68.55(8) . 2_746 ?
C11 Rb1 C6 78.88(8) . 2_746 ?
C11 Rb1 C7 44.33(8) . . ?
C11 Rb1 C8 50.14(8) . . ?
C11 Rb1 C9 42.43(9) . . ?
C11 Rb1 C10 23.96(9) . . ?
C11 Rb1 C13 108.87(9) . 2_746 ?
C11 Rb1 C18 85.62(8) . 2_746 ?
C12 Rb1 C6 41.91(8) 2_746 2_746 ?
C12 Rb1 C6 103.61(8) . 2_746 ?
C12 Rb1 C7 25.65(8) . . ?
C12 Rb1 C7 155.53(9) 2_746 . ?
C12 Rb1 C8 43.61(8) . . ?
C12 Rb1 C8 132.96(9) 2_746 . ?
C12 Rb1 C9 49.75(9) . . ?
C12 Rb1 C9 113.26(9) 2_746 . ?
C12 Rb1 C10 43.04(9) . . ?
C12 Rb1 C10 107.61(9) 2_746 . ?
C12 Rb1 C11 120.64(9) 2_746 . ?
C12 Rb1 C11 25.10(9) . . ?
C12 Rb1 C12 145.516(19) . 2_746 ?
C12 Rb1 C13 132.63(9) . 2_746 ?
C12 Rb1 C13 23.94(8) 2_746 2_746 ?
C12 Rb1 C18 39.50(8) 2_746 2_746 ?
C12 Rb1 C18 110.08(8) . 2_746 ?
C13 Rb1 C18 23.57(8) 2_746 2_746 ?
C28 Rb2 C4 77.02(9) . . ?
C28 Rb2 C33 164.03(8) . 2_656 ?
C28 Rb2 C34 146.94(10) . 2_656 ?
C28 Rb2 C34 71.04(9) . . ?
C28 Rb2 C35 134.21(10) . 2_656 ?
C28 Rb2 C35 81.03(10) . . ?
C28 Rb2 C36 103.77(10) . . ?
C28 Rb2 C37 120.06(10) . . ?
C28 Rb2 C38 111.59(10) . . ?
C28 Rb2 C39 87.21(9) . . ?
C28 Rb2 C39 126.33(9) . 2_656 ?
C33 Rb2 C4 91.37(8) 2_656 . ?
C34 Rb2 C4 81.61(8) . . ?
C34 Rb2 C4 96.76(9) 2_656 . ?
C34 Rb2 C33 118.59(9) . 2_656 ?
C34 Rb2 C33 22.51(9) 2_656 2_656 ?
C34 Rb2 C34 140.95(3) 2_656 . ?
C34 Rb2 C35 148.78(9) . 2_656 ?
C34 Rb2 C35 24.07(9) . . ?
C34 Rb2 C35 124.98(10) 2_656 . ?
C34 Rb2 C35 24.76(10) 2_656 2_656 ?
C34 Rb2 C36 102.40(10) 2_656 . ?
C34 Rb2 C36 41.80(10) . . ?
C34 Rb2 C37 49.58(10) . . ?
C34 Rb2 C37 91.38(10) 2_656 . ?
C34 Rb2 C38 101.36(10) 2_656 . ?
C34 Rb2 C39 25.16(8) 2_656 2_656 ?
C34 Rb2 C39 145.69(9) . 2_656 ?
C34 Rb2 C39 125.45(9) 2_656 . ?
C35 Rb2 C4 61.69(8) . . ?
C35 Rb2 C4 117.94(9) 2_656 . ?
C35 Rb2 C33 43.08(9) 2_656 2_656 ?
C35 Rb2 C33 103.28(9) . 2_656 ?
C35 Rb2 C35 144.756(19) 2_656 . ?
C35 Rb2 C36 121.88(10) 2_656 . ?
C35 Rb2 C36 23.05(10) . . ?
C35 Rb2 C37 104.59(10) 2_656 . ?
C35 Rb2 C39 42.42(9) 2_656 2_656 ?
C35 Rb2 C39 122.22(10) . 2_656 ?
C36 Rb2 C4 64.33(9) . . ?
C36 Rb2 C33 80.36(9) . 2_656 ?
C37 Rb2 C4 86.17(9) . . ?
C37 Rb2 C33 69.17(10) . 2_656 ?
C37 Rb2 C35 41.57(9) . . ?
C37 Rb2 C36 23.71(9) . . ?
C37 Rb2 C39 103.04(10) . 2_656 ?
C38 Rb2 C4 105.99(9) . . ?
C38 Rb2 C33 81.92(9) . 2_656 ?
C38 Rb2 C34 43.77(9) . . ?
C38 Rb2 C35 49.31(9) . . ?
C38 Rb2 C35 105.23(10) . 2_656 ?
C38 Rb2 C36 41.79(9) . . ?
C38 Rb2 C37 23.61(10) . . ?
C38 Rb2 C39 119.91(10) . 2_656 ?
C39 Rb2 C4 75.52(8) 2_656 . ?
C39 Rb2 C4 104.77(8) . . ?
C39 Rb2 C33 38.56(8) 2_656 2_656 ?
C39 Rb2 C33 106.55(9) . 2_656 ?
C39 Rb2 C34 25.68(8) . . ?
C39 Rb2 C35 124.25(9) . 2_656 ?
C39 Rb2 C35 43.19(9) . . ?
C39 Rb2 C36 104.38(10) 2_656 . ?
C39 Rb2 C36 49.26(10) . . ?
C39 Rb2 C37 42.43(10) . . ?
C39 Rb2 C38 24.63(10) . . ?
C39 Rb2 C39 144.260(19) . 2_656 ?
C1 N1 C2 112.9(3) . . ?
C1 N1 C4 124.6(3) . . ?
C2 N1 C4 122.3(3) . . ?
C1 N2 C3 112.2(3) . . ?
C1 N2 C19 124.9(3) . . ?
C3 N2 C19 122.9(3) . . ?
C28 N3 C29 112.6(3) . . ?
C28 N3 C31 123.7(3) . . ?
C29 N3 C31 123.5(3) . . ?
C28 N4 C30 112.7(3) . . ?
C28 N4 C46 123.0(3) . . ?
C30 N4 C46 124.4(3) . . ?
N1 C1 Rb1 136.4(2) . . ?
N2 C1 Rb1 116.8(2) . . ?
N2 C1 N1 102.3(3) . . ?
N1 C2 H2 126.8 . . ?
C3 C2 N1 106.5(3) . . ?
C3 C2 H2 126.8 . . ?
N2 C3 H3 126.9 . . ?
C2 C3 N2 106.2(3) . . ?
C2 C3 H3 126.9 . . ?
Rb2 C4 H4A 63.8 . . ?
Rb2 C4 H4B 44.3 . . ?
N1 C4 Rb2 128.3(2) . . ?
N1 C4 H4A 109.0 . . ?
N1 C4 H4B 109.0 . . ?
N1 C4 C5 112.7(3) . . ?
H4A C4 H4B 107.8 . . ?
C5 C4 Rb2 117.9(2) . . ?
C5 C4 H4A 109.0 . . ?
C5 C4 H4B 109.0 . . ?
C4 C5 H5A 108.9 . . ?
C4 C5 H5B 108.9 . . ?
H5A C5 H5B 107.7 . . ?
C6 C5 C4 113.5(3) . . ?
C6 C5 H5A 108.9 . . ?
C6 C5 H5B 108.9 . . ?
C5 C6 Rb1 111.9(2) . 2_756 ?
C7 C6 Rb1 69.80(18) . 2_756 ?
C7 C6 C5 126.2(3) . . ?
C7 C6 C18 107.0(3) . . ?
C18 C6 Rb1 88.80(19) . 2_756 ?
C18 C6 C5 126.5(3) . . ?
Rb1 C7 Rb1 154.55(11) 2_756 . ?
C6 C7 Rb1 112.8(2) . . ?
C6 C7 Rb1 84.95(19) . 2_756 ?
C6 C7 C8 131.7(3) . . ?
C6 C7 C12 109.9(3) . . ?
C8 C7 Rb1 99.6(2) . 2_756 ?
C8 C7 Rb1 82.42(19) . . ?
C8 C7 C12 118.4(3) . . ?
C12 C7 Rb1 82.72(18) . 2_756 ?
C12 C7 Rb1 74.28(18) . . ?
Rb1 C8 Rb1 124.87(10) . 2_756 ?
Rb1 C8 H8 118.6 . . ?
Rb1 C8 H8 107.1 2_756 . ?
C7 C8 Rb1 73.09(19) . . ?
C7 C8 Rb1 57.55(17) . 2_756 ?
C7 C8 H8 120.1 . . ?
C9 C8 Rb1 79.1(2) . . ?
C9 C8 Rb1 104.0(2) . 2_756 ?
C9 C8 C7 119.8(3) . . ?
C9 C8 H8 120.1 . . ?
Rb1 C9 H9 119.0 . . ?
C8 C9 Rb1 77.6(2) . . ?
C8 C9 H9 119.4 . . ?
C8 C9 C10 121.1(4) . . ?
C10 C9 Rb1 74.8(2) . . ?
C10 C9 H9 119.4 . . ?
Rb1 C10 H10 115.4 . . ?
C9 C10 Rb1 81.1(2) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 Rb1 74.3(2) . . ?
C11 C10 C9 120.4(3) . . ?
C11 C10 H10 119.8 . . ?
Rb1 C11 H11 113.0 . . ?
C10 C11 Rb1 81.7(2) . . ?
C10 C11 H11 119.9 . . ?
C10 C11 C12 120.2(3) . . ?
C12 C11 Rb1 75.80(19) . . ?
C12 C11 H11 119.9 . . ?
Rb1 C12 Rb1 149.15(11) . 2_756 ?
C7 C12 Rb1 71.05(17) . 2_756 ?
C7 C12 Rb1 80.07(18) . . ?
C11 C12 Rb1 79.11(19) . . ?
C11 C12 Rb1 105.9(2) . 2_756 ?
C11 C12 C7 120.0(3) . . ?
C11 C12 C13 133.2(3) . . ?
C13 C12 Rb1 109.5(2) . . ?
C13 C12 Rb1 89.46(19) . 2_756 ?
C13 C12 C7 106.8(3) . . ?
C12 C13 Rb1 66.60(18) . 2_756 ?
C12 C13 C18 106.8(3) . . ?
C14 C13 Rb1 121.7(2) . 2_756 ?
C14 C13 C12 132.6(3) . . ?
C14 C13 C18 120.5(3) . . ?
C18 C13 Rb1 78.79(19) . 2_756 ?
C13 C14 H14 120.3 . . ?
C15 C14 C13 119.4(3) . . ?
C15 C14 H14 120.3 . . ?
C14 C15 H15 119.9 . . ?
C14 C15 C16 120.2(3) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 H16 119.0 . . ?
C17 C16 C15 121.9(4) . . ?
C17 C16 H16 119.0 . . ?
C16 C17 H17 120.2 . . ?
C16 C17 C18 119.6(3) . . ?
C18 C17 H17 120.2 . . ?
C6 C18 Rb1 67.63(19) . 2_756 ?
C6 C18 C13 109.4(3) . . ?
C13 C18 Rb1 77.64(19) . 2_756 ?
C17 C18 Rb1 121.5(2) . 2_756 ?
C17 C18 C6 132.2(3) . . ?
C17 C18 C13 118.4(3) . . ?
C20 C19 N2 119.1(3) . . ?
C24 C19 N2 119.0(3) . . ?
C24 C19 C20 121.9(3) . . ?
C19 C20 C25 121.4(3) . . ?
C21 C20 C19 117.3(3) . . ?
C21 C20 C25 121.2(3) . . ?
C20 C21 H21 118.6 . . ?
C22 C21 C20 122.8(3) . . ?
C22 C21 H21 118.6 . . ?
C21 C22 C23 118.0(4) . . ?
C21 C22 C26 120.3(4) . . ?
C23 C22 C26 121.6(4) . . ?
C22 C23 H23 119.0 . . ?
C22 C23 C24 122.1(4) . . ?
C24 C23 H23 119.0 . . ?
C19 C24 C27 121.3(3) . . ?
C23 C24 C19 117.9(3) . . ?
C23 C24 C27 120.8(4) . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.5 . . ?
C20 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C22 C26 H26A 109.5 . . ?
C22 C26 H26B 109.5 . . ?
C22 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N3 C28 Rb2 138.5(3) . . ?
N3 C28 N4 102.1(3) . . ?
N4 C28 Rb2 114.7(2) . . ?
N3 C29 H29 126.7 . . ?
C30 C29 N3 106.5(3) . . ?
C30 C29 H29 126.7 . . ?
N4 C30 H30 127.0 . . ?
C29 C30 N4 106.1(3) . . ?
C29 C30 H30 127.0 . . ?
Rb1 C31 H31A 48.6 . . ?
Rb1 C31 H31B 59.9 . . ?
N3 C31 Rb1 130.5(2) . . ?
N3 C31 H31A 109.0 . . ?
N3 C31 H31B 109.0 . . ?
N3 C31 C32 112.8(3) . . ?
H31A C31 H31B 107.8 . . ?
C32 C31 Rb1 116.3(2) . . ?
C32 C31 H31A 109.0 . . ?
C32 C31 H31B 109.0 . . ?
C31 C32 H32A 108.7 . . ?
C31 C32 H32B 108.7 . . ?
H32A C32 H32B 107.6 . . ?
C33 C32 C31 114.3(3) . . ?
C33 C32 H32A 108.7 . . ?
C33 C32 H32B 108.7 . . ?
C32 C33 Rb2 108.2(2) . 2_646 ?
C34 C33 Rb2 59.88(19) . 2_646 ?
C34 C33 C32 126.8(3) . . ?
C34 C33 C45 107.2(3) . . ?
C45 C33 Rb2 100.2(2) . 2_646 ?
C45 C33 C32 125.9(4) . . ?
Rb2 C34 Rb2 150.23(13) 2_646 . ?
C33 C34 Rb2 110.6(2) . . ?
C33 C34 Rb2 97.6(2) . 2_646 ?
C33 C34 C35 132.7(3) . . ?
C33 C34 C39 109.5(3) . . ?
C35 C34 Rb2 85.8(2) . 2_646 ?
C35 C34 Rb2 82.1(2) . . ?
C35 C34 C39 117.8(3) . . ?
C39 C34 Rb2 88.2(2) . 2_646 ?
C39 C34 Rb2 73.86(19) . . ?
Rb2 C35 Rb2 134.61(12) 2_646 . ?
Rb2 C35 H35 117.1 . . ?
Rb2 C35 H35 104.0 2_646 . ?
C34 C35 Rb2 73.9(2) . . ?
C34 C35 Rb2 69.4(2) . 2_646 ?
C34 C35 H35 119.5 . . ?
C36 C35 Rb2 96.4(2) . 2_646 ?
C36 C35 Rb2 80.2(2) . . ?
C36 C35 C34 120.9(3) . . ?
C36 C35 H35 119.5 . . ?
Rb2 C36 H36 118.5 . . ?
C35 C36 Rb2 76.8(2) . . ?
C35 C36 H36 119.7 . . ?
C35 C36 C37 120.7(4) . . ?
C37 C36 Rb2 75.9(2) . . ?
C37 C36 H36 119.7 . . ?
Rb2 C37 H37 116.4 . . ?
C36 C37 Rb2 80.4(2) . . ?
C36 C37 H37 119.9 . . ?
C38 C37 Rb2 74.0(2) . . ?
C38 C37 C36 120.2(4) . . ?
C38 C37 H37 119.9 . . ?
Rb2 C38 H38 113.3 . . ?
C37 C38 Rb2 82.4(3) . . ?
C37 C38 H38 119.7 . . ?
C37 C38 C39 120.7(3) . . ?
C39 C38 Rb2 74.9(2) . . ?
C39 C38 H38 119.7 . . ?
Rb2 C39 Rb2 139.53(12) . 2_646 ?
C34 C39 Rb2 66.63(18) . 2_646 ?
C34 C39 Rb2 80.45(19) . . ?
C38 C39 Rb2 95.5(2) . 2_646 ?
C38 C39 Rb2 80.4(2) . . ?
C38 C39 C34 119.7(3) . . ?
C38 C39 C40 133.8(3) . . ?
C40 C39 Rb2 107.8(2) . . ?
C40 C39 Rb2 103.8(2) . 2_646 ?
C40 C39 C34 106.5(3) . . ?
C39 C40 C45 107.3(3) . . ?
C41 C40 C39 132.5(3) . . ?
C41 C40 C45 120.2(4) . . ?
C40 C41 H41 120.1 . . ?
C42 C41 C40 119.8(4) . . ?
C42 C41 H41 120.1 . . ?
C41 C42 H42 120.0 . . ?
C41 C42 C43 120.0(4) . . ?
C43 C42 H42 120.0 . . ?
C42 C43 H43 119.0 . . ?
C44 C43 C42 121.9(4) . . ?
C44 C43 H43 119.0 . . ?
C43 C44 H44 120.3 . . ?
C43 C44 C45 119.4(4) . . ?
C45 C44 H44 120.3 . . ?
C33 C45 C40 109.5(3) . . ?
C44 C45 C33 131.8(3) . . ?
C44 C45 C40 118.7(3) . . ?
C47 C46 N4 119.0(3) . . ?
C51 C46 N4 118.6(3) . . ?
C51 C46 C47 122.3(3) . . ?
C46 C47 C52 121.0(3) . . ?
C48 C47 C46 118.0(3) . . ?
C48 C47 C52 121.0(3) . . ?
C47 C48 H48 119.1 . . ?
C47 C48 C49 121.8(4) . . ?
C49 C48 H48 119.1 . . ?
C48 C49 C53 121.3(4) . . ?
C50 C49 C48 118.3(3) . . ?
C50 C49 C53 120.4(4) . . ?
C49 C50 H50 119.0 . . ?
C49 C50 C51 122.0(4) . . ?
C51 C50 H50 119.0 . . ?
C46 C51 C50 117.5(4) . . ?
C46 C51 C54 121.3(4) . . ?
C50 C51 C54 121.2(4) . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
C47 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C49 C53 H53A 109.5 . . ?
C49 C53 H53B 109.5 . . ?
C49 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
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 C1 3.067(3) . ?
Rb1 C6 3.277(3) 2_746 ?
Rb1 C7 3.088(3) 2_746 ?
Rb1 C7 3.284(3) . ?
Rb1 C8 3.402(4) . ?
Rb1 C9 3.421(4) . ?
Rb1 C10 3.342(4) . ?
Rb1 C11 3.251(3) . ?
Rb1 C12 3.238(3) 2_746 ?
Rb1 C12 3.209(3) . ?
Rb1 C13 3.528(3) 2_746 ?
Rb1 C18 3.543(3) 2_746 ?
Rb2 C4 3.635(4) . ?
Rb2 C28 3.088(3) . ?
Rb2 C33 3.618(4) 2_656 ?
Rb2 C34 3.157(3) 2_656 ?
Rb2 C34 3.327(4) . ?
Rb2 C35 3.363(4) 2_656 ?
Rb2 C35 3.430(4) . ?
Rb2 C36 3.472(4) . ?
Rb2 C37 3.414(4) . ?
Rb2 C38 3.310(4) . ?
Rb2 C39 3.241(3) . ?
Rb2 C39 3.438(3) 2_656 ?
N1 C1 1.362(4) . ?
N1 C2 1.380(5) . ?
N1 C4 1.450(5) . ?
N2 C1 1.362(5) . ?
N2 C3 1.397(5) . ?
N2 C19 1.428(5) . ?
N3 C28 1.363(4) . ?
N3 C29 1.385(5) . ?
N3 C31 1.452(5) . ?
N4 C28 1.369(5) . ?
N4 C30 1.386(5) . ?
N4 C46 1.434(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.341(6) . ?
C3 H3 0.9500 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.540(5) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.503(4) . ?
C6 C7 1.404(5) . ?
C6 C18 1.417(5) . ?
C7 C8 1.423(5) . ?
C7 C12 1.443(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.377(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.417(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.371(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.404(5) . ?
C12 C13 1.432(5) . ?
C13 C14 1.408(5) . ?
C13 C18 1.444(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.377(5) . ?
C15 H15 0.9500 . ?
C15 C16 1.412(5) . ?
C16 H16 0.9500 . ?
C16 C17 1.375(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.412(5) . ?
C19 C20 1.403(5) . ?
C19 C24 1.400(5) . ?
C20 C21 1.388(5) . ?
C20 C25 1.500(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.386(5) . ?
C22 C23 1.389(5) . ?
C22 C26 1.512(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.393(5) . ?
C24 C27 1.511(5) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C29 H29 0.9500 . ?
C29 C30 1.347(6) . ?
C30 H30 0.9500 . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C32 1.531(5) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C33 1.502(5) . ?
C33 C34 1.398(5) . ?
C33 C45 1.422(5) . ?
C34 C35 1.412(5) . ?
C34 C39 1.462(5) . ?
C35 H35 0.9500 . ?
C35 C36 1.380(6) . ?
C36 H36 0.9500 . ?
C36 C37 1.415(6) . ?
C37 H37 0.9500 . ?
C37 C38 1.379(6) . ?
C38 H38 0.9500 . ?
C38 C39 1.399(6) . ?
C39 C40 1.427(5) . ?
C40 C41 1.408(5) . ?
C40 C45 1.436(5) . ?
C41 H41 0.9500 . ?
C41 C42 1.376(6) . ?
C42 H42 0.9500 . ?
C42 C43 1.406(6) . ?
C43 H43 0.9500 . ?
C43 C44 1.377(6) . ?
C44 H44 0.9500 . ?
C44 C45 1.414(6) . ?
C46 C47 1.399(5) . ?
C46 C51 1.392(5) . ?
C47 C48 1.389(5) . ?
C47 C52 1.506(5) . ?
C48 H48 0.9500 . ?
C48 C49 1.394(5) . ?
C49 C50 1.394(6) . ?
C49 C53 1.506(5) . ?
C50 H50 0.9500 . ?
C50 C51 1.397(5) . ?
C51 C54 1.497(6) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
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 C6 C7 Rb1 -161.14(17) 2_756 . . . ?
Rb1 C6 C7 C8 98.3(4) 2_756 . . . ?
Rb1 C6 C7 C12 -80.4(2) 2_756 . . . ?
Rb1 C6 C18 C13 67.0(2) 2_756 . . . ?
Rb1 C6 C18 C17 -112.9(4) 2_756 . . . ?
Rb1 C7 C8 Rb1 -154.33(12) 2_756 . . . ?
Rb1 C7 C8 Rb1 154.33(12) . . . 2_756 ?
Rb1 C7 C8 C9 -88.0(3) 2_756 . . . ?
Rb1 C7 C8 C9 66.3(3) . . . . ?
Rb1 C7 C12 Rb1 -169.01(9) . . . 2_756 ?
Rb1 C7 C12 Rb1 169.01(9) 2_756 . . . ?
Rb1 C7 C12 C11 97.8(3) 2_756 . . . ?
Rb1 C7 C12 C11 -71.2(3) . . . . ?
Rb1 C7 C12 C13 107.5(2) . . . . ?
Rb1 C7 C12 C13 -83.4(2) 2_756 . . . ?
Rb1 C8 C9 Rb1 -123.51(12) 2_756 . . . ?
Rb1 C8 C9 C10 63.5(3) . . . . ?
Rb1 C8 C9 C10 -60.0(4) 2_756 . . . ?
Rb1 C9 C10 C11 65.8(3) . . . . ?
Rb1 C10 C11 C12 68.2(3) . . . . ?
Rb1 C11 C12 Rb1 148.67(13) . . . 2_756 ?
Rb1 C11 C12 C7 71.7(3) . . . . ?
Rb1 C11 C12 C13 -106.6(4) . . . . ?
Rb1 C12 C13 Rb1 155.17(17) . . . 2_756 ?
Rb1 C12 C13 C14 112.3(4) 2_756 . . . ?
Rb1 C12 C13 C14 -92.5(4) . . . . ?
Rb1 C12 C13 C18 85.8(3) . . . . ?
Rb1 C12 C13 C18 -69.4(2) 2_756 . . . ?
Rb1 C13 C14 C15 -95.1(3) 2_756 . . . ?
Rb1 C13 C18 C6 -60.6(2) 2_756 . . . ?
Rb1 C13 C18 C17 119.3(3) 2_756 . . . ?
Rb1 C31 C32 C33 -128.8(3) . . . . ?
Rb2 C4 C5 C6 134.5(2) . . . . ?
Rb2 C33 C34 Rb2 170.3(2) 2_646 . . . ?
Rb2 C33 C34 C35 -91.3(4) 2_646 . . . ?
Rb2 C33 C34 C39 90.8(3) 2_646 . . . ?
Rb2 C33 C45 C40 -60.3(3) 2_646 . . . ?
Rb2 C33 C45 C44 122.5(4) 2_646 . . . ?
Rb2 C34 C35 Rb2 -152.75(10) . . . 2_646 ?
Rb2 C34 C35 Rb2 152.75(10) 2_646 . . . ?
Rb2 C34 C35 C36 -67.6(4) . . . . ?
Rb2 C34 C35 C36 85.1(4) 2_646 . . . ?
Rb2 C34 C39 Rb2 155.93(10) . . . 2_646 ?
Rb2 C34 C39 Rb2 -155.93(10) 2_646 . . . ?
Rb2 C34 C39 C38 73.2(3) . . . . ?
Rb2 C34 C39 C38 -82.8(3) 2_646 . . . ?
Rb2 C34 C39 C40 98.2(2) 2_646 . . . ?
Rb2 C34 C39 C40 -105.9(2) . . . . ?
Rb2 C35 C36 Rb2 134.24(11) 2_646 . . . ?
Rb2 C35 C36 C37 69.8(4) 2_646 . . . ?
Rb2 C35 C36 C37 -64.5(4) . . . . ?
Rb2 C36 C37 C38 -65.0(4) . . . . ?
Rb2 C37 C38 C39 -67.4(3) . . . . ?
Rb2 C38 C39 Rb2 -139.35(11) . . . 2_646 ?
Rb2 C38 C39 C34 -73.2(3) . . . . ?
Rb2 C38 C39 C40 105.6(4) . . . . ?
Rb2 C39 C40 C41 93.3(4) . . . . ?
Rb2 C39 C40 C41 -112.4(4) 2_646 . . . ?
Rb2 C39 C40 C45 69.3(3) 2_646 . . . ?
Rb2 C39 C40 C45 -85.0(3) . . . . ?
N1 C2 C3 N2 -0.9(4) . . . . ?
N1 C4 C5 C6 -56.6(4) . . . . ?
N2 C19 C20 C21 176.8(3) . . . . ?
N2 C19 C20 C25 -4.3(5) . . . . ?
N2 C19 C24 C23 -177.4(3) . . . . ?
N2 C19 C24 C27 1.9(5) . . . . ?
N3 C29 C30 N4 -0.3(4) . . . . ?
N3 C31 C32 C33 57.6(4) . . . . ?
N4 C46 C47 C48 -179.4(3) . . . . ?
N4 C46 C47 C52 2.5(5) . . . . ?
N4 C46 C51 C50 -178.4(3) . . . . ?
N4 C46 C51 C54 1.5(6) . . . . ?
C1 N1 C2 C3 0.9(4) . . . . ?
C1 N1 C4 Rb2 -97.1(3) . . . . ?
C1 N1 C4 C5 95.4(4) . . . . ?
C1 N2 C3 C2 0.6(5) . . . . ?
C1 N2 C19 C20 73.1(5) . . . . ?
C1 N2 C19 C24 -108.9(4) . . . . ?
C2 N1 C1 Rb1 153.3(3) . . . . ?
C2 N1 C1 N2 -0.5(4) . . . . ?
C2 N1 C4 Rb2 88.7(4) . . . . ?
C2 N1 C4 C5 -78.8(4) . . . . ?
C3 N2 C1 Rb1 -160.1(2) . . . . ?
C3 N2 C1 N1 -0.1(4) . . . . ?
C3 N2 C19 C20 -105.3(4) . . . . ?
C3 N2 C19 C24 72.6(5) . . . . ?
C4 N1 C1 Rb1 -21.4(5) . . . . ?
C4 N1 C1 N2 -175.1(3) . . . . ?
C4 N1 C2 C3 175.7(3) . . . . ?
C4 C5 C6 Rb1 -148.5(2) . . . 2_756 ?
C4 C5 C6 C7 -68.1(5) . . . . ?
C4 C5 C6 C18 105.9(4) . . . . ?
C5 C6 C7 Rb1 -102.9(3) . . . 2_756 ?
C5 C6 C7 Rb1 96.0(3) . . . . ?
C5 C6 C7 C8 -4.6(6) . . . . ?
C5 C6 C7 C12 176.8(3) . . . . ?
C5 C6 C18 Rb1 116.7(3) . . . 2_756 ?
C5 C6 C18 C13 -176.3(3) . . . . ?
C5 C6 C18 C17 3.7(6) . . . . ?
C6 C7 C8 Rb1 113.9(4) . . . . ?
C6 C7 C8 Rb1 -91.7(4) . . . 2_756 ?
C6 C7 C8 C9 -179.7(4) . . . . ?
C6 C7 C12 Rb1 81.9(2) . . . 2_756 ?
C6 C7 C12 Rb1 -109.1(2) . . . . ?
C6 C7 C12 C11 179.7(3) . . . . ?
C6 C7 C12 C13 -1.5(4) . . . . ?
C7 C6 C18 Rb1 -68.4(2) . . . 2_756 ?
C7 C6 C18 C13 -1.4(4) . . . . ?
C7 C6 C18 C17 178.7(4) . . . . ?
C7 C8 C9 Rb1 -63.2(3) . . . . ?
C7 C8 C9 C10 0.3(6) . . . . ?
C7 C12 C13 Rb1 70.0(2) . . . 2_756 ?
C7 C12 C13 C14 -177.7(3) . . . . ?
C7 C12 C13 C18 0.6(4) . . . . ?
C8 C7 C12 Rb1 72.0(3) . . . . ?
C8 C7 C12 Rb1 -97.0(3) . . . 2_756 ?
C8 C7 C12 C11 0.9(5) . . . . ?
C8 C7 C12 C13 179.6(3) . . . . ?
C8 C9 C10 Rb1 -64.9(3) . . . . ?
C8 C9 C10 C11 0.9(6) . . . . ?
C9 C10 C11 Rb1 -69.4(3) . . . . ?
C9 C10 C11 C12 -1.2(6) . . . . ?
C10 C11 C12 Rb1 -71.4(3) . . . . ?
C10 C11 C12 Rb1 77.3(3) . . . 2_756 ?
C10 C11 C12 C7 0.3(5) . . . . ?
C10 C11 C12 C13 -178.0(4) . . . . ?
C11 C12 C13 Rb1 -111.5(4) . . . 2_756 ?
C11 C12 C13 C14 0.8(6) . . . . ?
C11 C12 C13 C18 179.1(4) . . . . ?
C12 C7 C8 Rb1 86.8(3) . . . 2_756 ?
C12 C7 C8 Rb1 -67.5(3) . . . . ?
C12 C7 C8 C9 -1.2(5) . . . . ?
C12 C13 C14 C15 178.7(3) . . . . ?
C12 C13 C18 Rb1 61.1(2) . . . 2_756 ?
C12 C13 C18 C6 0.5(4) . . . . ?
C12 C13 C18 C17 -179.6(3) . . . . ?
C13 C14 C15 C16 0.2(5) . . . . ?
C14 C13 C18 Rb1 -120.3(3) . . . 2_756 ?
C14 C13 C18 C6 179.1(3) . . . . ?
C14 C13 C18 C17 -1.0(5) . . . . ?
C14 C15 C16 C17 -0.5(6) . . . . ?
C15 C16 C17 C18 0.0(5) . . . . ?
C16 C17 C18 Rb1 93.3(4) . . . 2_756 ?
C16 C17 C18 C6 -179.3(4) . . . . ?
C16 C17 C18 C13 0.7(5) . . . . ?
C18 C6 C7 Rb1 -79.0(3) . . . . ?
C18 C6 C7 Rb1 82.2(2) . . . 2_756 ?
C18 C6 C7 C8 -179.5(3) . . . . ?
C18 C6 C7 C12 1.8(4) . . . . ?
C18 C13 C14 C15 0.5(5) . . . . ?
C19 N2 C1 Rb1 21.3(4) . . . . ?
C19 N2 C1 N1 -178.7(3) . . . . ?
C19 N2 C3 C2 179.3(3) . . . . ?
C19 C20 C21 C22 0.8(5) . . . . ?
C20 C19 C24 C23 0.5(5) . . . . ?
C20 C19 C24 C27 179.8(4) . . . . ?
C20 C21 C22 C23 0.0(6) . . . . ?
C20 C21 C22 C26 179.7(4) . . . . ?
C21 C22 C23 C24 -0.7(6) . . . . ?
C22 C23 C24 C19 0.4(6) . . . . ?
C22 C23 C24 C27 -178.9(4) . . . . ?
C24 C19 C20 C21 -1.1(5) . . . . ?
C24 C19 C20 C25 177.8(4) . . . . ?
C25 C20 C21 C22 -178.0(4) . . . . ?
C26 C22 C23 C24 179.7(4) . . . . ?
C28 N3 C29 C30 -0.1(4) . . . . ?
C28 N3 C31 Rb1 93.7(4) . . . . ?
C28 N3 C31 C32 -93.7(4) . . . . ?
C28 N4 C30 C29 0.6(4) . . . . ?
C28 N4 C46 C47 93.2(4) . . . . ?
C28 N4 C46 C51 -86.9(4) . . . . ?
C29 N3 C28 Rb2 -152.2(3) . . . . ?
C29 N3 C28 N4 0.4(4) . . . . ?
C29 N3 C31 Rb1 -91.7(4) . . . . ?
C29 N3 C31 C32 80.8(4) . . . . ?
C30 N4 C28 Rb2 159.8(2) . . . . ?
C30 N4 C28 N3 -0.6(4) . . . . ?
C30 N4 C46 C47 -86.3(4) . . . . ?
C30 N4 C46 C51 93.6(4) . . . . ?
C31 N3 C28 Rb2 22.8(5) . . . . ?
C31 N3 C28 N4 175.5(3) . . . . ?
C31 N3 C29 C30 -175.2(3) . . . . ?
C31 C32 C33 Rb2 134.6(3) . . . 2_646 ?
C31 C32 C33 C34 69.1(5) . . . . ?
C31 C32 C33 C45 -107.5(4) . . . . ?
C32 C33 C34 Rb2 90.9(4) . . . 2_646 ?
C32 C33 C34 Rb2 -98.7(4) . . . . ?
C32 C33 C34 C35 -0.4(7) . . . . ?
C32 C33 C34 C39 -178.3(3) . . . . ?
C32 C33 C45 C40 178.3(3) . . . . ?
C32 C33 C45 C44 1.1(6) . . . . ?
C33 C34 C35 Rb2 -110.8(4) . . . . ?
C33 C34 C35 Rb2 96.5(4) . . . 2_646 ?
C33 C34 C35 C36 -178.4(4) . . . . ?
C33 C34 C39 Rb2 106.6(3) . . . . ?
C33 C34 C39 Rb2 -97.4(3) . . . 2_646 ?
C33 C34 C39 C38 179.8(3) . . . . ?
C33 C34 C39 C40 0.7(4) . . . . ?
C34 C33 C45 C40 1.2(4) . . . . ?
C34 C33 C45 C44 -176.0(4) . . . . ?
C34 C35 C36 Rb2 64.4(3) . . . . ?
C34 C35 C36 C37 -0.1(6) . . . . ?
C34 C39 C40 C41 178.3(4) . . . . ?
C34 C39 C40 C45 0.0(4) . . . . ?
C35 C34 C39 Rb2 -71.6(3) . . . . ?
C35 C34 C39 Rb2 84.3(3) . . . 2_646 ?
C35 C34 C39 C38 1.5(5) . . . . ?
C35 C34 C39 C40 -177.5(3) . . . . ?
C35 C36 C37 Rb2 64.9(4) . . . . ?
C35 C36 C37 C38 -0.1(7) . . . . ?
C36 C37 C38 Rb2 68.4(4) . . . . ?
C36 C37 C38 C39 1.0(7) . . . . ?
C37 C38 C39 Rb2 -67.9(4) . . . 2_646 ?
C37 C38 C39 Rb2 71.4(4) . . . . ?
C37 C38 C39 C34 -1.7(6) . . . . ?
C37 C38 C39 C40 177.0(4) . . . . ?
C38 C39 C40 C41 -0.5(7) . . . . ?
C38 C39 C40 C45 -178.9(4) . . . . ?
C39 C34 C35 Rb2 -85.8(3) . . . 2_646 ?
C39 C34 C35 Rb2 67.0(3) . . . . ?
C39 C34 C35 C36 -0.6(5) . . . . ?
C39 C40 C41 C42 -176.7(4) . . . . ?
C39 C40 C45 C33 -0.7(4) . . . . ?
C39 C40 C45 C44 176.9(3) . . . . ?
C40 C41 C42 C43 -1.0(5) . . . . ?
C41 C40 C45 C33 -179.3(3) . . . . ?
C41 C40 C45 C44 -1.7(5) . . . . ?
C41 C42 C43 C44 0.7(6) . . . . ?
C42 C43 C44 C45 -1.0(6) . . . . ?
C43 C44 C45 C33 178.4(4) . . . . ?
C43 C44 C45 C40 1.4(5) . . . . ?
C45 C33 C34 Rb2 -92.0(3) . . . 2_646 ?
C45 C33 C34 Rb2 78.3(3) . . . . ?
C45 C33 C34 C35 176.7(4) . . . . ?
C45 C33 C34 C39 -1.2(4) . . . . ?
C45 C40 C41 C42 1.4(5) . . . . ?
C46 N4 C28 Rb2 -19.7(4) . . . . ?
C46 N4 C28 N3 179.8(3) . . . . ?
C46 N4 C30 C29 -179.9(3) . . . . ?
C46 C47 C48 C49 -2.2(5) . . . . ?
C47 C46 C51 C50 1.5(6) . . . . ?
C47 C46 C51 C54 -178.7(4) . . . . ?
C47 C48 C49 C50 1.4(6) . . . . ?
C47 C48 C49 C53 -177.4(4) . . . . ?
C48 C49 C50 C51 0.9(6) . . . . ?
C49 C50 C51 C46 -2.3(6) . . . . ?
C49 C50 C51 C54 177.8(4) . . . . ?
C51 C46 C47 C48 0.7(5) . . . . ?
C51 C46 C47 C52 -177.4(4) . . . . ?
C52 C47 C48 C49 175.9(4) . . . . ?
C53 C49 C50 C51 179.7(4) . . . . ?
