#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:13:23 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179367 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/64/4326409.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_4326409
loop_
_publ_author_name
'Geng Bang Jin'
'S. Skanthakumar'
'Richard G. Haire'
'L. Soderholm'
'James A. Ibers'
_publ_contact_author_address
;
       Chemical Sciences and Engineering Division
       Argonne National Laboratory
       Argonne, IL 60439, USA

       Department of Chemistry
       Northwestern University
       2145 Sheridan Road
       Evanston, IL 60208-3113, USA
;
_publ_contact_author_email       gjin@anl.gov
_publ_contact_author_fax         '+1 630 252 4225'
_publ_contact_author_name        'Geng Bang Jin'
_publ_contact_author_phone       '+1 630 252 3658'
_publ_section_title
;
 Neptunium Thiophosphate Chemistry: Intermediate Behavior between Uranium
 and Plutonium
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9688
_journal_page_last               9695
_journal_paper_doi               10.1021/ic201493w
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'Rb11 Np7 P13 S52'
_chemical_formula_sum            'Np7 P13 Rb11 S52'
_chemical_formula_weight         4668.90
_chemical_name_common
'Undecarubidium Heptaneptunium Tridecakis(tetrathioPhosphate)'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           122
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   32.0634(14)
_cell_length_b                   32.0634(14)
_cell_length_c                   17.7798(8)
_cell_measurement_reflns_used    9376
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.09
_cell_measurement_theta_min      2.84
_cell_volume                     18278.7(14)
_computing_cell_refinement       'APEX2 v2.0-2 (Bruker, 2005)'
_computing_data_collection       'APEX2 v2.1-4 (Bruker, 2007)'
_computing_data_reduction        'SAINT version 7.23a (Bruker, 2005)'
_computing_molecular_graphics    'CrystalMaker for Windows ver. 2.0.6 (2008)'
_computing_publication_material  'SHELXTL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '0.3 wide w/ exposures'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0773
_diffrn_reflns_av_sigmaI/netI    0.0366
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            117066
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.84
_exptl_absorpt_coefficient_mu    15.143
_exptl_absorpt_correction_T_max  0.52868
_exptl_absorpt_correction_T_min  0.33480
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'faces indexed'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    3.393
_exptl_crystal_description       prism
_exptl_crystal_F_000             16680
_exptl_crystal_size_max          0.116
_exptl_crystal_size_mid          0.091
_exptl_crystal_size_min          0.058
_refine_diff_density_max         4.298
_refine_diff_density_min         -1.251
_refine_diff_density_rms         0.218
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.014(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.420
_refine_ls_matrix_type           full
_refine_ls_number_parameters     387
_refine_ls_number_reflns         10489
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.420
_refine_ls_R_factor_all          0.0391
_refine_ls_R_factor_gt           0.0326
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
; calc 
 [1.00000+0.00000exp(0.00(sinθ/λ)²)]/ 
   [σ²(Fo²)+0.0000+0.0000*P+(0.0278P)²+0.0000sinθ/λ] 
 where P = 1.00000Fo² + 0.00000Fc² 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0735
_refine_ls_wR_factor_ref         0.0753
_reflns_number_gt                9597
_reflns_number_total             10489
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201493w_si_001_1.cif
_cod_data_source_block           compound(4)
_cod_database_code               4326409
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'y, -x, -z'
'-y, x, -z'
'-x+1/2, y, -z+3/4'
'x+1/2, -y, -z+3/4'
'-y+1/2, -x, z+3/4'
'y+1/2, x, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'-x+1, y+1/2, -z+5/4'
'x+1, -y+1/2, -z+5/4'
'-y+1, -x+1/2, z+5/4'
'y+1, x+1/2, z+5/4'
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
Rb1 Rb 0.01134(4) 0.31107(4) 0.31911(7) 0.0469(3) Uani 1 1 d .
Rb2 Rb 0.18357(5) 0.37050(5) 0.31097(8) 0.0575(4) Uani 1 1 d .
Rb3 Rb 0.31414(3) 0.04306(3) 0.24726(6) 0.0268(2) Uani 1 1 d .
Rb4 Rb 0.45906(3) 0.06997(3) 0.11152(9) 0.0469(4) Uani 1 1 d .
Rb5 Rb 0.13805(4) 0.2500 0.1250 0.0443(5) Uani 1 2 d S
Rb6 Rb 0.69419(4) 0.2500 0.1250 0.0248(3) Uani 1 2 d S
Rb7 Rb 0.0000 0.0000 0.1250(3) 0.073(2) Uani 0.506(8) 2 d SP
Rb77 Rb 0.03759(18) 0.97794(16) 0.1396(3) 0.0466(18) Uani 0.247(4) 1 d P
Np1 Np 0.012737(11) 0.152420(12) 0.20886(2) 0.01905(9) Uani 1 1 d .
Np2 Np 0.124145(11) 0.086813(11) 0.23634(2) 0.01386(8) Uani 1 1 d .
Np3 Np 0.308927(10) 0.180509(10) 0.12162(2) 0.01279(7) Uani 1 1 d .
Np4 Np 0.425597(15) 0.2500 0.1250 0.01406(10) Uani 1 2 d S
P1 P 0.05138(9) 0.09631(10) 0.36828(18) 0.0313(7) Uani 1 1 d .
P2 P 0.06676(8) 0.10124(8) 0.06225(15) 0.0210(5) Uani 1 1 d .
P3 P 0.21181(7) 0.14349(7) 0.17791(15) 0.0172(5) Uani 1 1 d .
P4 P 0.33471(7) 0.08549(7) 0.03977(15) 0.0166(5) Uani 1 1 d .
P5 P 0.34773(7) 0.25078(8) 0.27063(14) 0.0197(5) Uani 1 1 d .
P6 P 0.50007(7) 0.18636(8) 0.04382(14) 0.0171(5) Uani 1 1 d .
P7 P 0.01318(11) 0.2500 0.1250 0.0183(7) Uani 1 2 d S
S1 S 0.00394(8) 0.10079(10) 0.08438(18) 0.0359(7) Uani 1 1 d .
S2 S 0.00867(10) 0.09664(11) 0.44673(19) 0.0427(8) Uani 1 1 d .
S3 S 0.02675(8) 0.26242(7) 0.49526(16) 0.0256(6) Uani 1 1 d .
S4 S 0.03273(8) 0.07086(8) 0.26319(16) 0.0280(6) Uani 1 1 d .
S5 S 0.04867(8) 0.26672(8) 0.03504(15) 0.0224(5) Uani 1 1 d .
S6 S 0.07029(8) 0.62199(8) 0.03842(15) 0.0234(5) Uani 1 1 d .
S7 S 0.07361(9) 0.15332(9) 0.32443(15) 0.0278(6) Uani 1 1 d .
S8 S 0.07960(9) 0.38928(9) 0.29509(16) 0.0318(6) Uani 1 1 d .
S9 S 0.08918(7) 0.14725(7) 0.13335(14) 0.0191(5) Uani 1 1 d .
S10 S 0.09475(8) 0.04883(8) 0.10467(15) 0.0238(6) Uani 1 1 d .
S11 S 0.10462(8) 0.06432(9) 0.38744(15) 0.0270(6) Uani 1 1 d .
S12 S 0.13549(7) 0.50063(7) 0.02454(14) 0.0185(5) Uani 1 1 d .
S13 S 0.15404(10) 0.25434(10) 0.36931(17) 0.0416(7) Uani 1 1 d .
S14 S 0.17031(7) 0.16071(7) 0.25827(14) 0.0186(5) Uani 1 1 d .
S15 S 0.18719(7) 0.09327(7) 0.12539(15) 0.0199(5) Uani 1 1 d .
S16 S 0.19777(7) 0.06089(7) 0.31611(15) 0.0195(5) Uani 1 1 d .
S17 S 0.20164(11) 0.47583(11) 0.3511(2) 0.0473(9) Uani 1 1 d .
S18 S 0.22283(7) 0.19067(7) 0.10285(14) 0.0187(5) Uani 1 1 d .
S19 S 0.26929(7) 0.13312(7) 0.22548(14) 0.0190(5) Uani 1 1 d .
S20 S 0.28911(6) 0.25066(7) 0.02723(13) 0.0156(4) Uani 1 1 d .
S21 S 0.29230(8) 0.12820(8) 0.00321(16) 0.0274(6) Uani 1 1 d .
S22 S 0.30341(9) 0.03267(8) 0.06516(16) 0.0290(6) Uani 1 1 d .
S23 S 0.36248(7) 0.11261(7) 0.13143(14) 0.0168(5) Uani 1 1 d .
S24 S 0.37633(8) 0.19919(8) 0.02808(16) 0.0265(6) Uani 1 1 d .
S25 S 0.37645(7) 0.30141(7) 0.02370(14) 0.0173(5) Uani 1 1 d .
S26 S 0.46425(7) 0.17419(7) 0.13674(15) 0.0193(5) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
P P 0.1023 0.0942 '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'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Np Np -11.4937 4.1493 '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
S17 Rb1 S12 144.58(8) 11_455 11_455
S17 Rb1 S5 61.01(7) 11_455 14_454
S12 Rb1 S5 154.09(8) 11_455 14_454
S17 Rb1 S8 101.71(9) 11_455 .
S12 Rb1 S8 77.64(7) 11_455 .
S5 Rb1 S8 104.75(7) 14_454 .
S17 Rb1 S15 86.14(8) 11_455 15_454
S12 Rb1 S15 69.48(6) 11_455 15_454
S5 Rb1 S15 121.03(7) 14_454 15_454
S8 Rb1 S15 130.49(8) . 15_454
S17 Rb1 S3 144.76(8) 11_455 .
S12 Rb1 S3 59.64(6) 11_455 .
S5 Rb1 S3 96.43(7) 14_454 .
S8 Rb1 S3 110.58(8) . .
S15 Rb1 S3 83.55(7) 15_454 .
S17 Rb1 S10 94.58(8) 11_455 15_454
S12 Rb1 S10 50.54(6) 11_455 15_454
S5 Rb1 S10 155.37(8) 14_454 15_454
S8 Rb1 S10 75.39(7) . 15_454
S15 Rb1 S10 55.19(6) 15_454 15_454
S3 Rb1 S10 106.65(6) . 15_454
S17 Rb1 S22 75.02(8) 11_455 15_454
S12 Rb1 S22 117.68(7) 11_455 15_454
S5 Rb1 S22 54.54(6) 14_454 15_454
S8 Rb1 S22 158.30(8) . 15_454
S15 Rb1 S22 71.11(6) 15_454 15_454
S3 Rb1 S22 69.76(6) . 15_454
S10 Rb1 S22 125.97(7) 15_454 15_454
S17 Rb1 S1 54.89(8) 11_455 14_454
S12 Rb1 S1 101.89(7) 11_455 14_454
S5 Rb1 S1 100.02(7) 14_454 14_454
S8 Rb1 S1 54.16(7) . 14_454
S15 Rb1 S1 97.41(7) 15_454 14_454
S3 Rb1 S1 160.05(7) . 14_454
S10 Rb1 S1 59.51(6) 15_454 14_454
S22 Rb1 S1 129.50(7) 15_454 14_454
S17 Rb1 P7 30.22(7) 11_455 .
S12 Rb1 P7 174.45(8) 11_455 .
S5 Rb1 P7 30.82(5) 14_454 .
S8 Rb1 P7 104.38(7) . .
S15 Rb1 P7 105.70(7) 15_454 .
S3 Rb1 P7 123.43(5) . .
S10 Rb1 P7 124.64(7) 15_454 .
S22 Rb1 P7 61.92(5) 15_454 .
S1 Rb1 P7 75.65(5) 14_454 .
S17 Rb1 P6 153.55(8) 11_455 10
S12 Rb1 P6 30.33(6) 11_455 10
S5 Rb1 P6 127.01(7) 14_454 10
S8 Rb1 P6 99.84(7) . 10
S15 Rb1 P6 68.15(6) 15_454 10
S3 Rb1 P6 30.61(5) . 10
S10 Rb1 P6 76.21(6) 15_454 10
S22 Rb1 P6 90.24(6) 15_454 10
S1 Rb1 P6 132.08(6) 14_454 10
P7 Rb1 P6 151.32(5) . 10
S17 Rb1 P2 72.87(8) 11_455 14_454
S12 Rb1 P2 99.86(6) 11_455 14_454
S5 Rb1 P2 92.37(6) 14_454 14_454
S8 Rb1 P2 28.92(6) . 14_454
S15 Rb1 P2 124.90(7) 15_454 14_454
S3 Rb1 P2 138.90(7) . 14_454
S10 Rb1 P2 75.97(6) 15_454 14_454
S22 Rb1 P2 142.39(6) 15_454 14_454
S1 Rb1 P2 29.67(6) 14_454 14_454
P7 Rb1 P2 80.51(5) . 14_454
P6 Rb1 P2 126.71(6) 10 14_454
S8 Rb2 S17 90.48(9) . .
S8 Rb2 S21 107.18(7) . 10
S17 Rb2 S21 75.70(8) . 10
S8 Rb2 S15 84.00(7) . 14_454
S17 Rb2 S15 82.41(8) . 14_454
S21 Rb2 S15 155.31(8) 10 14_454
S8 Rb2 S21 154.70(8) . 14_454
S17 Rb2 S21 83.98(8) . 14_454
S21 Rb2 S21 95.36(7) 10 14_454
S15 Rb2 S21 70.82(6) 14_454 14_454
S8 Rb2 S18 111.05(7) . 14_454
S17 Rb2 S18 127.65(8) . 14_454
S21 Rb2 S18 133.88(7) 10 14_454
S15 Rb2 S18 54.99(5) 14_454 14_454
S21 Rb2 S18 56.11(6) 14_454 14_454
S8 Rb2 S6 57.65(7) . 11_455
S17 Rb2 S6 57.62(7) . 11_455
S21 Rb2 S6 54.98(6) 10 11_455
S15 Rb2 S6 120.83(7) 14_454 11_455
S21 Rb2 S6 134.56(7) 14_454 11_455
S18 Rb2 S6 168.63(7) 14_454 11_455
S8 Rb2 S13 87.37(8) . .
S17 Rb2 S13 152.75(8) . .
S21 Rb2 S13 79.01(7) 10 .
S15 Rb2 S13 124.27(7) 14_454 .
S21 Rb2 S13 108.52(8) 14_454 .
S18 Rb2 S13 77.98(7) 14_454 .
S6 Rb2 S13 99.15(7) 11_455 .
S8 Rb2 Rb2 154.70(7) . 5
S17 Rb2 Rb2 75.99(7) . 5
S21 Rb2 Rb2 49.12(5) 10 5
S15 Rb2 Rb2 114.55(6) 14_454 5
S21 Rb2 Rb2 46.25(5) 14_454 5
S18 Rb2 Rb2 94.04(5) 14_454 5
S6 Rb2 Rb2 97.18(5) 11_455 5
S13 Rb2 Rb2 94.98(5) . 5
S8 Rb2 Rb1 80.66(6) . 12
S17 Rb2 Rb1 39.56(7) . 12
S21 Rb2 Rb1 115.23(6) 10 12
S15 Rb2 Rb1 43.53(4) 14_454 12
S21 Rb2 Rb1 79.40(5) 14_454 12
S18 Rb2 Rb1 95.77(5) 14_454 12
S6 Rb2 Rb1 83.98(5) 11_455 12
S13 Rb2 Rb1 163.56(6) . 12
Rb2 Rb2 Rb1 100.66(3) 5 12
S8 Rb2 Rb5 78.87(6) . .
S17 Rb2 Rb5 151.38(8) . .
S21 Rb2 Rb5 132.77(6) 10 .
S15 Rb2 Rb5 70.19(4) 14_454 .
S21 Rb2 Rb5 94.36(5) 14_454 .
S18 Rb2 Rb5 38.84(4) 14_454 .
S6 Rb2 Rb5 131.05(5) 11_455 .
S13 Rb2 Rb5 54.12(5) . .
Rb2 Rb2 Rb5 122.54(3) 5 .
Rb1 Rb2 Rb5 111.98(3) 12 .
S19 Rb3 S22 85.76(7) . .
S19 Rb3 S26 144.04(7) . 12_545
S22 Rb3 S26 123.71(7) . 12_545
S19 Rb3 S3 105.69(6) . 7_554
S22 Rb3 S3 80.98(7) . 7_554
S26 Rb3 S3 64.68(6) 12_545 7_554
S19 Rb3 S11 103.52(7) . 5
S22 Rb3 S11 134.48(7) . 5
S26 Rb3 S11 71.75(7) 12_545 5
S3 Rb3 S11 135.31(7) 7_554 5
S19 Rb3 S16 85.23(6) . 5
S22 Rb3 S16 166.91(7) . 5
S26 Rb3 S16 61.81(6) 12_545 5
S3 Rb3 S16 92.34(7) 7_554 5
S11 Rb3 S16 57.29(6) 5 5
S19 Rb3 S23 63.11(6) . .
S22 Rb3 S23 61.10(6) . .
S26 Rb3 S23 146.23(6) 12_545 .
S3 Rb3 S23 140.39(7) 7_554 .
S11 Rb3 S23 83.35(6) 5 .
S16 Rb3 S23 122.18(6) 5 .
S19 Rb3 S2 140.21(8) . 7_554
S22 Rb3 S2 77.24(8) . 7_554
S26 Rb3 S2 72.36(7) 12_545 7_554
S3 Rb3 S2 106.73(8) 7_554 7_554
S11 Rb3 S2 67.28(7) 5 7_554
S16 Rb3 S2 115.62(8) 5 7_554
S23 Rb3 S2 77.21(7) . 7_554
S19 Rb3 P6 114.78(6) . 12_545
S22 Rb3 P6 153.07(6) . 12_545
S26 Rb3 P6 31.10(6) 12_545 12_545
S3 Rb3 P6 76.86(6) 7_554 12_545
S11 Rb3 P6 60.35(6) 5 12_545
S16 Rb3 P6 30.71(5) 5 12_545
S23 Rb3 P6 142.75(6) . 12_545
S2 Rb3 P6 94.63(7) 7_554 12_545
S19 Rb3 S16 59.51(5) . .
S22 Rb3 S16 102.77(7) . .
S26 Rb3 S16 91.39(6) 12_545 .
S3 Rb3 S16 53.53(6) 7_554 .
S11 Rb3 S16 120.52(6) 5 .
S16 Rb3 S16 64.38(7) 5 .
S23 Rb3 S16 121.32(6) . .
S2 Rb3 S16 159.32(7) 7_554 .
P6 Rb3 S16 75.94(5) 12_545 .
S19 Rb3 P4 70.10(6) . .
S22 Rb3 P4 30.32(6) . .
S26 Rb3 P4 145.59(6) 12_545 .
S3 Rb3 P4 110.01(7) 7_554 .
S11 Rb3 P4 111.37(6) 5 .
S16 Rb3 P4 150.13(6) 5 .
S23 Rb3 P4 30.95(5) . .
S2 Rb3 P4 77.55(7) 7_554 .
P6 Rb3 P4 170.71(6) 12_545 .
S16 Rb3 P4 113.07(5) . .
S19 Rb3 Rb4 146.02(5) . 12_545
S22 Rb3 Rb4 119.80(6) . 12_545
S26 Rb3 Rb4 38.85(4) 12_545 12_545
S3 Rb3 Rb4 100.55(5) 7_554 12_545
S11 Rb3 Rb4 42.80(5) 5 12_545
S16 Rb3 Rb4 72.36(5) 5 12_545
S23 Rb3 Rb4 107.69(5) . 12_545
S2 Rb3 Rb4 44.24(6) 7_554 12_545
P6 Rb3 Rb4 51.23(4) 12_545 12_545
S16 Rb3 Rb4 126.44(5) . 12_545
P4 Rb3 Rb4 120.15(4) . 12_545
S26 Rb4 S23 68.49(6) . .
S26 Rb4 S2 133.82(8) . 7_554
S23 Rb4 S2 77.08(7) . 7_554
S26 Rb4 S12 58.17(6) . 4_655
S23 Rb4 S12 99.73(7) . 4_655
S2 Rb4 S12 161.43(8) 7_554 4_655
S26 Rb4 S11 68.26(6) . 8_554
S23 Rb4 S11 135.98(7) . 8_554
S2 Rb4 S11 131.25(8) 7_554 8_554
S12 Rb4 S11 63.20(6) 4_655 8_554
S26 Rb4 S2 68.37(8) . 5
S23 Rb4 S2 93.81(8) . 5
S2 Rb4 S2 84.72(8) 7_554 5
S12 Rb4 S2 113.82(7) 4_655 5
S11 Rb4 S2 62.73(7) 8_554 5
S26 Rb4 S6 97.29(6) . 4_655
S23 Rb4 S6 55.83(6) . 4_655
S2 Rb4 S6 87.42(8) 7_554 4_655
S12 Rb4 S6 76.00(6) 4_655 4_655
S11 Rb4 S6 138.48(7) 8_554 4_655
S2 Rb4 S6 149.63(7) 5 4_655
S26 Rb4 S4 156.83(8) . 7_554
S23 Rb4 S4 99.45(6) . 7_554
S2 Rb4 S4 56.21(7) 7_554 7_554
S12 Rb4 S4 107.18(7) 4_655 7_554
S11 Rb4 S4 123.94(7) 8_554 7_554
S2 Rb4 S4 133.84(8) 5 7_554
S6 Rb4 S4 60.21(6) 4_655 7_554
S26 Rb4 Rb77 111.65(10) . 8_454
S23 Rb4 Rb77 109.52(10) . 8_454
S2 Rb4 Rb77 108.23(10) 7_554 8_454
S12 Rb4 Rb77 55.13(9) 4_655 8_454
S11 Rb4 Rb77 93.60(8) 8_554 8_454
S2 Rb4 Rb77 155.14(9) 5 8_454
S6 Rb4 Rb77 54.42(9) 4_655 8_454
S4 Rb4 Rb77 52.18(9) 7_554 8_454
S26 Rb4 Rb7 123.30(6) . 7_554
S23 Rb4 Rb7 120.82(6) . 7_554
S2 Rb4 Rb7 100.36(6) 7_554 7_554
S12 Rb4 Rb7 65.23(5) 4_655 7_554
S11 Rb4 Rb7 90.00(5) 8_554 7_554
S2 Rb4 Rb7 145.33(6) 5 7_554
S6 Rb4 Rb7 65.00(5) 4_655 7_554
S4 Rb4 Rb7 44.91(5) 7_554 7_554
Rb77 Rb4 Rb7 14.78(9) 8_454 7_554
S26 Rb4 Rb4 146.05(6) . 2_655
S23 Rb4 Rb4 143.73(6) . 2_655
S2 Rb4 Rb4 68.27(6) 7_554 2_655
S12 Rb4 Rb4 109.62(5) 4_655 2_655
S11 Rb4 Rb4 77.99(5) 8_554 2_655
S2 Rb4 Rb4 93.37(6) 5 2_655
S6 Rb4 Rb4 110.79(5) 4_655 2_655
S4 Rb4 Rb4 52.24(5) 7_554 2_655
Rb77 Rb4 Rb4 73.06(9) 8_454 2_655
Rb7 Rb4 Rb4 58.28(3) 7_554 2_655
S26 Rb4 Rb3 37.60(4) . 11
S23 Rb4 Rb3 97.66(5) . 11
S2 Rb4 Rb3 125.20(7) 7_554 11
S12 Rb4 Rb3 73.23(5) 4_655 11
S11 Rb4 Rb3 39.92(4) 8_554 11
S2 Rb4 Rb3 40.73(5) 5 11
S6 Rb4 Rb3 134.52(5) 4_655 11
S4 Rb4 Rb3 162.53(5) 7_554 11
Rb77 Rb4 Rb3 124.22(7) 8_454 11
Rb7 Rb4 Rb3 126.43(3) 7_554 11
Rb4 Rb4 Rb3 110.67(3) 2_655 11
S5 Rb5 S5 60.96(9) . 14_454
S5 Rb5 S18 131.77(6) . 14_454
S5 Rb5 S18 137.41(6) 14_454 14_454
S5 Rb5 S18 137.41(6) . .
S5 Rb5 S18 131.76(6) 14_454 .
S18 Rb5 S18 71.10(9) 14_454 .
S5 Rb5 S9 78.18(6) . .
S5 Rb5 S9 57.67(6) 14_454 .
S18 Rb5 S9 149.10(6) 14_454 .
S18 Rb5 S9 80.81(5) . .
S5 Rb5 S9 57.67(6) . 14_454
S5 Rb5 S9 78.18(6) 14_454 14_454
S18 Rb5 S9 80.81(5) 14_454 14_454
S18 Rb5 S9 149.10(6) . 14_454
S9 Rb5 S9 129.17(8) . 14_454
S5 Rb5 S14 79.40(5) . 14_454
S5 Rb5 S14 130.25(6) 14_454 14_454
S18 Rb5 S14 55.37(5) 14_454 14_454
S18 Rb5 S14 97.58(6) . 14_454
S9 Rb5 S14 144.07(5) . 14_454
S9 Rb5 S14 54.58(5) 14_454 14_454
S5 Rb5 S14 130.25(6) . .
S5 Rb5 S14 79.40(5) 14_454 .
S18 Rb5 S14 97.58(6) 14_454 .
S18 Rb5 S14 55.37(5) . .
S9 Rb5 S14 54.58(5) . .
S9 Rb5 S14 144.07(5) 14_454 .
S14 Rb5 S14 148.89(8) 14_454 .
S5 Rb5 P7 30.48(4) . .
S5 Rb5 P7 30.48(4) 14_454 .
S18 Rb5 P7 144.45(4) 14_454 .
S18 Rb5 P7 144.45(4) . .
S9 Rb5 P7 64.59(4) . .
S9 Rb5 P7 64.59(4) 14_454 .
S14 Rb5 P7 105.55(4) 14_454 .
S14 Rb5 P7 105.55(4) . .
S5 Rb5 Rb2 93.14(5) . 14_454
S5 Rb5 Rb2 114.87(5) 14_454 14_454
S18 Rb5 Rb2 105.37(5) 14_454 14_454
S18 Rb5 Rb2 44.45(5) . 14_454
S9 Rb5 Rb2 58.99(4) . 14_454
S9 Rb5 Rb2 138.76(4) 14_454 14_454
S14 Rb5 Rb2 94.82(4) 14_454 14_454
S14 Rb5 Rb2 76.58(4) . 14_454
P7 Rb5 Rb2 106.01(2) . 14_454
S5 Rb5 Rb2 114.87(5) . .
S5 Rb5 Rb2 93.15(5) 14_454 .
S18 Rb5 Rb2 44.45(5) 14_454 .
S18 Rb5 Rb2 105.37(5) . .
S9 Rb5 Rb2 138.76(4) . .
S9 Rb5 Rb2 58.99(4) 14_454 .
S14 Rb5 Rb2 76.58(4) 14_454 .
S14 Rb5 Rb2 94.83(4) . .
P7 Rb5 Rb2 106.01(2) . .
Rb2 Rb5 Rb2 147.97(4) 14_454 .
S19 Rb6 S19 108.69(9) 8_554 11
S19 Rb6 S14 58.72(6) 8_554 8_554
S19 Rb6 S14 99.08(6) 11 8_554
S19 Rb6 S14 99.08(6) 8_554 11
S19 Rb6 S14 58.72(6) 11 11
S14 Rb6 S14 143.88(9) 8_554 11
S19 Rb6 S20 168.97(5) 8_554 15_554
S19 Rb6 S20 67.23(6) 11 15_554
S14 Rb6 S20 111.04(5) 8_554 15_554
S14 Rb6 S20 87.54(5) 11 15_554
S19 Rb6 S20 67.23(6) 8_554 4_655
S19 Rb6 S20 168.97(5) 11 4_655
S14 Rb6 S20 87.54(5) 8_554 4_655
S14 Rb6 S20 111.04(5) 11 4_655
S20 Rb6 S20 118.67(9) 15_554 4_655
S19 Rb6 S13 100.11(6) 8_554 11
S19 Rb6 S13 116.32(6) 11 11
S14 Rb6 S13 143.74(7) 8_554 11
S14 Rb6 S13 61.50(6) 11 11
S20 Rb6 S13 90.79(6) 15_554 11
S20 Rb6 S13 56.27(6) 4_655 11
S19 Rb6 S13 116.32(6) 8_554 8_554
S19 Rb6 S13 100.11(6) 11 8_554
S14 Rb6 S13 61.50(6) 8_554 8_554
S14 Rb6 S13 143.74(7) 11 8_554
S20 Rb6 S13 56.27(6) 15_554 8_554
S20 Rb6 S13 90.79(6) 4_655 8_554
S13 Rb6 S13 115.87(10) 11 8_554
S19 Rb6 P3 30.39(5) 8_554 8_554
S19 Rb6 P3 113.26(6) 11 8_554
S14 Rb6 P3 30.04(5) 8_554 8_554
S14 Rb6 P3 128.10(6) 11 8_554
S20 Rb6 P3 140.37(5) 15_554 8_554
S20 Rb6 P3 68.83(5) 4_655 8_554
S13 Rb6 P3 119.53(6) 11 8_554
S13 Rb6 P3 86.16(6) 8_554 8_554
S19 Rb6 P3 113.26(6) 8_554 11
S19 Rb6 P3 30.39(5) 11 11
S14 Rb6 P3 128.10(6) 8_554 11
S14 Rb6 P3 30.04(5) 11 11
S20 Rb6 P3 68.83(5) 15_554 11
S20 Rb6 P3 140.37(5) 4_655 11
S13 Rb6 P3 86.16(6) 11 11
S13 Rb6 P3 119.53(6) 8_554 11
P3 Rb6 P3 132.70(8) 8_554 11
S19 Rb6 P5 75.95(5) 8_554 8_554
S19 Rb6 P5 139.70(5) 11 8_554
S14 Rb6 P5 115.67(5) 8_554 8_554
S14 Rb6 P5 80.98(5) 11 8_554
S20 Rb6 P5 114.02(6) 15_554 8_554
S20 Rb6 P5 30.47(5) 4_655 8_554
S13 Rb6 P5 28.79(6) 11 8_554
S13 Rb6 P5 113.76(7) 8_554 8_554
P3 Rb6 P5 90.99(5) 8_554 8_554
P3 Rb6 P5 109.91(5) 11 8_554
S19 Rb6 P5 139.70(5) 8_554 11
S19 Rb6 P5 75.95(5) 11 11
S14 Rb6 P5 80.98(5) 8_554 11
S14 Rb6 P5 115.67(5) 11 11
S20 Rb6 P5 30.47(5) 15_554 11
S20 Rb6 P5 114.02(6) 4_655 11
S13 Rb6 P5 113.76(7) 11 11
S13 Rb6 P5 28.79(6) 8_554 11
P3 Rb6 P5 109.91(5) 8_554 11
P3 Rb6 P5 90.99(5) 11 11
P5 Rb6 P5 127.03(8) 8_554 11
Rb77 Rb7 Rb77 158.9(6) 1_545 2_565
Rb77 Rb7 S1 119.5(2) 1_545 .
Rb77 Rb7 S1 65.6(2) 2_565 .
Rb77 Rb7 S1 65.6(2) 1_545 2
Rb77 Rb7 S1 119.5(2) 2_565 2
S1 Rb7 S1 154.8(2) . 2
Rb77 Rb7 S10 122.8(2) 1_545 2
Rb77 Rb7 S10 59.8(2) 2_565 2
S1 Rb7 S10 117.07(8) . 2
S1 Rb7 S10 59.94(6) 2 2
Rb77 Rb7 S10 59.8(2) 1_545 .
Rb77 Rb7 S10 122.8(2) 2_565 .
S1 Rb7 S10 59.94(6) . .
S1 Rb7 S10 117.07(8) 2 .
S10 Rb7 S10 167.94(18) 2 .
Rb77 Rb7 S4 86.6(3) 1_545 .
Rb77 Rb7 S4 78.7(3) 2_565 .
S1 Rb7 S4 60.62(7) . .
S1 Rb7 S4 142.73(14) 2 .
S10 Rb7 S4 129.28(12) 2 .
S10 Rb7 S4 60.92(7) . .
Rb77 Rb7 S4 78.7(3) 1_545 2
Rb77 Rb7 S4 86.6(3) 2_565 2
S1 Rb7 S4 142.73(14) . 2
S1 Rb7 S4 60.62(7) 2 2
S10 Rb7 S4 60.92(7) 2 2
S10 Rb7 S4 129.28(12) . 2
S4 Rb7 S4 91.05(15) . 2
Rb77 Rb7 P2 90.1(2) 1_545 .
Rb77 Rb7 P2 95.7(2) 2_565 .
S1 Rb7 P2 30.36(6) . .
S1 Rb7 P2 137.97(12) 2 .
S10 Rb7 P2 143.55(10) 2 .
S10 Rb7 P2 30.42(6) . .
S4 Rb7 P2 60.99(6) . .
S4 Rb7 P2 150.61(13) 2 .
Rb77 Rb7 P2 95.7(2) 1_545 2
Rb77 Rb7 P2 90.1(2) 2_565 2
S1 Rb7 P2 137.97(12) . 2
S1 Rb7 P2 30.36(6) 2 2
S10 Rb7 P2 30.42(6) 2 2
S10 Rb7 P2 143.55(10) . 2
S4 Rb7 P2 150.61(13) . 2
S4 Rb7 P2 60.99(6) 2 2
P2 Rb7 P2 147.99(15) . 2
Rb77 Rb7 Rb7 100.5(3) 1_545 3
Rb77 Rb7 Rb7 100.5(3) 2_565 3
S1 Rb7 Rb7 77.42(10) . 3
S1 Rb7 Rb7 77.42(10) 2 3
S10 Rb7 Rb7 83.97(9) 2 3
S10 Rb7 Rb7 83.97(9) . 3
S4 Rb7 Rb7 134.48(7) . 3
S4 Rb7 Rb7 134.48(7) 2 3
P2 Rb7 Rb7 74.00(8) . 3
P2 Rb7 Rb7 74.00(8) 2 3
Rb77 Rb7 Rb77 100.1(3) 1_545 3_455
Rb77 Rb7 Rb77 100.1(3) 2_565 3_455
S1 Rb7 Rb77 92.08(13) . 3_455
S1 Rb7 Rb77 63.01(11) 2 3_455
S10 Rb7 Rb77 70.12(11) 2 3_455
S10 Rb7 Rb77 97.97(12) . 3_455
S4 Rb7 Rb77 150.91(11) . 3_455
S4 Rb7 Rb77 117.99(10) 2 3_455
P2 Rb7 Rb77 90.52(11) . 3_455
P2 Rb7 Rb77 57.48(10) 2 3_455
Rb7 Rb7 Rb77 16.55(7) 3 3_455
Rb7 Rb77 Rb77 10.5(3) 1_565 2_575
Rb7 Rb77 S10 95.9(2) 1_565 1_565
Rb77 Rb77 S10 98.3(2) 2_575 1_565
Rb7 Rb77 S1 89.0(2) 1_565 2_565
Rb77 Rb77 S1 92.5(2) 2_575 2_565
S10 Rb77 S1 147.1(2) 1_565 2_565
Rb7 Rb77 S8 139.4(4) 1_565 7_564
Rb77 Rb77 S8 149.69(12) 2_575 7_564
S10 Rb77 S8 83.55(15) 1_565 7_564
S1 Rb77 S8 72.05(14) 2_565 7_564
Rb7 Rb77 S4 78.0(3) 1_565 2_565
Rb77 Rb77 S4 70.86(16) 2_575 2_565
S10 Rb77 S4 149.6(2) 1_565 2_565
S1 Rb77 S4 63.14(12) 2_565 2_565
S8 Rb77 S4 120.40(16) 7_564 2_565
Rb7 Rb77 S12 136.9(3) 1_565 14_464
Rb77 Rb77 S12 131.5(2) 2_575 14_464
S10 Rb77 S12 53.16(10) 1_565 14_464
S1 Rb77 S12 133.7(2) 2_565 14_464
S8 Rb77 S12 73.17(13) 7_564 14_464
S4 Rb77 S12 112.55(16) 2_565 14_464
Rb7 Rb77 S6 138.9(3) 1_565 14_464
Rb77 Rb77 S6 134.5(2) 2_575 14_464
S10 Rb77 S6 124.88(19) 1_565 14_464
S1 Rb77 S6 60.04(11) 2_565 14_464
S8 Rb77 S6 59.76(12) 7_564 14_464
S4 Rb77 S6 64.48(11) 2_565 14_464
S12 Rb77 S6 76.28(13) 14_464 14_464
Rb7 Rb77 S4 70.9(3) 1_565 1_565
Rb77 Rb77 S4 63.69(16) 2_575 1_565
S10 Rb77 S4 62.42(11) 1_565 1_565
S1 Rb77 S4 147.9(2) 2_565 1_565
S8 Rb77 S4 138.85(17) 7_564 1_565
S4 Rb77 S4 87.72(15) 2_565 1_565
S12 Rb77 S4 68.12(11) 14_464 1_565
S6 Rb77 S4 121.08(17) 14_464 1_565
Rb7 Rb77 Rb4 117.5(4) 1_565 16_454
Rb77 Rb77 Rb4 106.94(9) 2_575 16_454
S10 Rb77 Rb4 98.99(14) 1_565 16_454
S1 Rb77 Rb4 107.43(15) 2_565 16_454
S8 Rb77 Rb4 102.59(15) 7_564 16_454
S4 Rb77 Rb4 59.88(10) 2_565 16_454
S12 Rb77 Rb4 52.82(9) 14_464 16_454
S6 Rb77 Rb4 57.10(9) 14_464 16_454
S4 Rb77 Rb4 63.98(10) 1_565 16_454
Rb7 Rb77 Np1 101.6(2) 1_565 2_565
Rb77 Rb77 Np1 99.0(2) 2_575 2_565
S10 Rb77 Np1 162.42(19) 1_565 2_565
S1 Rb77 Np1 34.98(8) 2_565 2_565
S8 Rb77 Np1 83.29(12) 7_564 2_565
S4 Rb77 Np1 37.93(7) 2_565 2_565
S12 Rb77 Np1 111.49(14) 14_464 2_565
S6 Rb77 Np1 37.59(6) 14_464 2_565
S4 Rb77 Np1 123.47(15) 1_565 2_565
Rb4 Rb77 Np1 72.65(9) 16_454 2_565
Rb7 Rb77 Np2 101.2(2) 1_565 1_565
Rb77 Rb77 Np2 97.5(2) 2_575 1_565
S10 Rb77 Np2 33.10(8) 1_565 1_565
S1 Rb77 Np2 169.76(19) 2_565 1_565
S8 Rb77 Np2 99.93(13) 7_564 1_565
S4 Rb77 Np2 118.19(15) 2_565 1_565
S12 Rb77 Np2 36.12(6) 14_464 1_565
S6 Rb77 Np2 110.63(13) 14_464 1_565
S4 Rb77 Np2 39.08(6) 1_565 1_565
Rb4 Rb77 Np2 67.47(8) 16_454 1_565
Np1 Rb77 Np2 139.74(13) 2_565 1_565
S17 Np1 S22 87.47(11) 8_454 15_454
S17 Np1 S1 75.13(11) 8_454 .
S22 Np1 S1 142.53(8) 15_454 .
S17 Np1 S9 94.40(9) 8_454 .
S22 Np1 S9 144.72(7) 15_454 .
S1 Np1 S9 70.82(8) . .
S17 Np1 S7 142.71(9) 8_454 .
S22 Np1 S7 82.08(8) 15_454 .
S1 Np1 S7 130.81(8) . .
S9 Np1 S7 75.25(8) . .
S17 Np1 S6 78.77(9) 8_454 13_444
S22 Np1 S6 70.81(7) 15_454 13_444
S1 Np1 S6 73.34(8) . 13_444
S9 Np1 S6 144.07(7) . 13_444
S7 Np1 S6 129.62(8) . 13_444
S17 Np1 S5 71.16(8) 8_454 14_454
S22 Np1 S5 73.79(8) 15_454 14_454
S1 Np1 S5 128.00(9) . 14_454
S9 Np1 S5 73.57(7) . 14_454
S7 Np1 S5 71.55(8) . 14_454
S6 Np1 S5 133.98(7) 13_444 14_454
S17 Np1 S4 148.92(9) 8_454 .
S22 Np1 S4 110.74(9) 15_454 .
S1 Np1 S4 75.35(9) . .
S9 Np1 S4 84.93(8) . .
S7 Np1 S4 67.06(8) . .
S6 Np1 S4 83.69(8) 13_444 .
S5 Np1 S4 136.97(7) 14_454 .
S17 Np1 Rb77 100.50(10) 8_454 2_565
S22 Np1 Rb77 117.23(9) 15_454 2_565
S1 Np1 Rb77 38.52(10) . 2_565
S9 Np1 Rb77 97.10(9) . 2_565
S7 Np1 Rb77 116.14(9) . 2_565
S6 Np1 Rb77 50.88(9) 13_444 2_565
S5 Np1 Rb77 166.52(9) 14_454 2_565
S4 Np1 Rb77 49.08(9) . 2_565
S10 Np2 S14 131.07(8) . .
S10 Np2 S15 71.93(7) . .
S14 Np2 S15 70.15(7) . .
S10 Np2 S12 63.65(7) . 14_454
S14 Np2 S12 140.64(7) . 14_454
S15 Np2 S12 86.16(7) . 14_454
S10 Np2 S11 127.12(8) . .
S14 Np2 S11 101.39(8) . .
S15 Np2 S11 146.26(7) . .
S12 Np2 S11 80.92(8) 14_454 .
S10 Np2 S16 124.22(7) . .
S14 Np2 S16 75.16(7) . .
S15 Np2 S16 77.22(7) . .
S12 Np2 S16 69.05(7) 14_454 .
S11 Np2 S16 69.06(7) . .
S10 Np2 S9 68.40(7) . .
S14 Np2 S9 74.22(7) . .
S15 Np2 S9 77.69(7) . .
S12 Np2 S9 132.02(7) 14_454 .
S11 Np2 S9 132.91(7) . .
S16 Np2 S9 145.47(7) . .
S10 Np2 S4 74.43(8) . .
S14 Np2 S4 129.12(7) . .
S15 Np2 S4 144.79(7) . .
S12 Np2 S4 88.15(7) 14_454 .
S11 Np2 S4 66.06(8) . .
S16 Np2 S4 132.15(7) . .
S9 Np2 S4 80.62(7) . .
S10 Np2 S7 123.02(7) . .
S14 Np2 S7 68.09(7) . .
S15 Np2 S7 132.39(7) . .
S12 Np2 S7 141.40(7) 14_454 .
S11 Np2 S7 65.39(7) . .
S16 Np2 S7 112.22(7) . .
S9 Np2 S7 69.92(7) . .
S4 Np2 S7 61.88(7) . .
S10 Np2 P1 113.18(8) . .
S14 Np2 P1 101.18(7) . .
S15 Np2 P1 170.51(7) . .
S12 Np2 P1 103.24(7) 14_454 .
S11 Np2 P1 37.22(7) . .
S16 Np2 P1 104.75(8) . .
S9 Np2 P1 96.51(7) . .
S4 Np2 P1 38.80(7) . .
S7 Np2 P1 38.18(8) . .
S10 Np2 Rb77 35.58(9) . 1_545
S14 Np2 Rb77 165.43(9) . 1_545
S15 Np2 Rb77 102.54(9) . 1_545
S12 Np2 Rb77 47.73(9) 14_454 1_545
S11 Np2 Rb77 91.54(9) . 1_545
S16 Np2 Rb77 116.29(8) . 1_545
S9 Np2 Rb77 92.08(8) . 1_545
S4 Np2 Rb77 50.83(9) . 1_545
S7 Np2 Rb77 112.36(9) . 1_545
P1 Np2 Rb77 85.03(9) . 1_545
S19 Np3 S21 95.11(8) . .
S19 Np3 S23 78.91(7) . .
S21 Np3 S23 71.90(7) . .
S19 Np3 S24 152.85(7) . .
S21 Np3 S24 79.89(8) . .
S23 Np3 S24 74.17(7) . .
S19 Np3 S18 71.57(7) . .
S21 Np3 S18 77.77(7) . .
S23 Np3 S18 135.08(7) . .
S24 Np3 S18 131.86(7) . .
S19 Np3 S20 137.11(7) . .
S21 Np3 S20 89.28(7) . .
S23 Np3 S20 141.79(7) . .
S24 Np3 S20 69.87(7) . .
S18 Np3 S20 67.78(6) . .
S19 Np3 S25 91.42(7) . 14_454
S21 Np3 S25 139.13(7) . 14_454
S23 Np3 S25 69.91(6) . 14_454
S24 Np3 S25 76.27(7) . 14_454
S18 Np3 S25 141.79(7) . 14_454
S20 Np3 S25 112.40(6) . 14_454
S19 Np3 S20 84.37(7) . 14_454
S21 Np3 S20 153.27(7) . 14_454
S23 Np3 S20 133.53(7) . 14_454
S24 Np3 S20 111.93(7) . 14_454
S18 Np3 S20 76.74(7) . 14_454
S20 Np3 S20 73.74(7) . 14_454
S25 Np3 S20 67.51(6) 14_454 14_454
S26 Np4 S26 126.15(10) . 14_454
S26 Np4 S3 79.40(7) . 5
S26 Np4 S3 71.87(7) 14_454 5
S26 Np4 S3 71.87(7) . 10_554
S26 Np4 S3 79.40(7) 14_454 10_554
S3 Np4 S3 113.73(12) 5 10_554
S26 Np4 S24 77.84(7) . .
S26 Np4 S24 135.46(8) 14_454 .
S3 Np4 S24 152.07(7) 5 .
S3 Np4 S24 73.90(8) 10_554 .
S26 Np4 S24 135.47(8) . 14_454
S26 Np4 S24 77.84(7) 14_454 14_454
S3 Np4 S24 73.90(8) 5 14_454
S3 Np4 S24 152.07(7) 10_554 14_454
S24 Np4 S24 112.66(11) . 14_454
S26 Np4 S25 72.21(7) . 14_454
S26 Np4 S25 142.82(7) 14_454 14_454
S3 Np4 S25 82.28(7) 5 14_454
S3 Np4 S25 136.64(7) 10_554 14_454
S24 Np4 S25 75.52(7) . 14_454
S24 Np4 S25 69.44(7) 14_454 14_454
S26 Np4 S25 142.82(7) . .
S26 Np4 S25 72.20(7) 14_454 .
S3 Np4 S25 136.64(7) 5 .
S3 Np4 S25 82.29(7) 10_554 .
S24 Np4 S25 69.44(7) . .
S24 Np4 S25 75.51(7) 14_454 .
S25 Np4 S25 114.32(9) 14_454 .
S2 P1 S11 118.3(2) . .
S2 P1 S7 119.7(2) . .
S11 P1 S7 102.50(17) . .
S2 P1 S4 115.63(19) . .
S11 P1 S4 101.02(17) . .
S7 P1 S4 95.90(16) . .
S2 P1 Np2 175.04(18) . .
S11 P1 Np2 58.61(10) . .
S7 P1 Np2 65.26(11) . .
S4 P1 Np2 62.71(10) . .
S8 P2 S10 112.98(17) 14_454 .
S8 P2 S1 113.00(18) 14_454 .
S10 P2 S1 110.70(18) . .
S8 P2 S9 114.06(17) 14_454 .
S10 P2 S9 101.97(15) . .
S1 P2 S9 103.21(15) . .
S8 P2 Rb7 119.99(15) 14_454 .
S10 P2 Rb7 58.14(10) . .
S1 P2 Rb7 54.70(11) . .
S9 P2 Rb7 125.93(14) . .
S8 P2 Rb1 55.22(11) 14_454 14_454
S10 P2 Rb1 166.03(13) . 14_454
S1 P2 Rb1 71.69(12) . 14_454
S9 P2 Rb1 90.56(11) . 14_454
Rb7 P2 Rb1 118.83(8) . 14_454
S15 P3 S14 106.61(14) . .
S15 P3 S18 110.78(16) . .
S14 P3 S18 111.78(15) . .
S15 P3 S19 114.29(15) . .
S14 P3 S19 110.02(16) . .
S18 P3 S19 103.47(14) . .
S15 P3 Rb6 146.81(13) . 12_545
S14 P3 Rb6 58.67(9) . 12_545
S18 P3 Rb6 102.42(11) . 12_545
S19 P3 Rb6 55.80(9) . 12_545
S22 P4 S6 107.00(15) . 4_655
S22 P4 S21 107.66(16) . .
S6 P4 S21 113.62(17) 4_655 .
S22 P4 S23 113.18(16) . .
S6 P4 S23 110.51(15) 4_655 .
S21 P4 S23 104.98(14) . .
S22 P4 Rb3 54.89(10) . .
S6 P4 Rb3 131.82(12) 4_655 .
S21 P4 Rb3 114.47(12) . .
S23 P4 Rb3 58.74(9) . .
S13 P5 S24 113.01(18) 5 14_454
S13 P5 S20 112.73(16) 5 14_454
S24 P5 S20 104.58(15) 14_454 14_454
S13 P5 S25 116.14(17) 5 14_454
S24 P5 S25 105.93(15) 14_454 14_454
S20 P5 S25 103.33(15) 14_454 14_454
S13 P5 Rb6 63.16(12) 5 12_545
S24 P5 Rb6 152.90(13) 14_454 12_545
S20 P5 Rb6 58.45(8) 14_454 12_545
S25 P5 Rb6 98.98(11) 14_454 12_545
S16 P6 S12 105.82(14) 8_554 4_655
S16 P6 S3 110.04(15) 8_554 10_554
S12 P6 S3 112.77(16) 4_655 10_554
S16 P6 S26 114.62(16) 8_554 .
S12 P6 S26 108.83(15) 4_655 .
S3 P6 S26 104.93(14) 10_554 .
S16 P6 Rb3 58.78(10) 8_554 11
S12 P6 Rb3 124.11(12) 4_655 11
S3 P6 Rb3 123.05(12) 10_554 11
S26 P6 Rb3 55.84(9) . 11
S16 P6 Rb1 106.21(12) 8_554 10_554
S12 P6 Rb1 54.59(9) 4_655 10_554
S3 P6 Rb1 61.63(10) 10_554 10_554
S26 P6 Rb1 139.06(12) . 10_554
Rb3 P6 Rb1 164.84(7) 11 10_554
S17 P7 S17 106.6(3) 8_454 11_455
S17 P7 S5 107.26(11) 8_454 14_454
S17 P7 S5 111.81(13) 11_455 14_454
S17 P7 S5 111.80(13) 8_454 .
S17 P7 S5 107.26(11) 11_455 .
S5 P7 S5 112.0(2) 14_454 .
S17 P7 Rb1 123.84(14) 8_454 .
S17 P7 Rb1 54.92(11) 11_455 .
S5 P7 Rb1 56.96(8) 14_454 .
S5 P7 Rb1 124.19(10) . .
S17 P7 Rb1 54.92(11) 8_454 14_454
S17 P7 Rb1 123.84(14) 11_455 14_454
S5 P7 Rb1 124.19(10) 14_454 14_454
S5 P7 Rb1 56.96(8) . 14_454
Rb1 P7 Rb1 178.30(11) . 14_454
S17 P7 Rb5 126.68(14) 8_454 .
S17 P7 Rb5 126.68(14) 11_455 .
S5 P7 Rb5 55.99(11) 14_454 .
S5 P7 Rb5 55.99(11) . .
Rb1 P7 Rb5 90.85(5) . .
Rb1 P7 Rb5 90.85(5) 14_454 .
P2 S1 Np1 92.80(12) . .
P2 S1 Rb77 120.09(19) . 2_565
Np1 S1 Rb77 106.50(15) . 2_565
P2 S1 Rb7 94.94(13) . .
Np1 S1 Rb7 114.30(14) . .
Rb77 S1 Rb7 25.40(12) 2_565 .
P2 S1 Rb1 78.63(13) . 14_454
Np1 S1 Rb1 96.80(9) . 14_454
Rb77 S1 Rb1 148.50(15) 2_565 14_454
Rb7 S1 Rb1 148.60(12) . 14_454
P1 S2 Rb3 122.06(17) . 15_454
P1 S2 Rb4 101.32(16) . 15_454
Rb3 S2 Rb4 101.19(9) 15_454 15_454
P1 S2 Rb4 117.70(16) . 5
Rb3 S2 Rb4 95.02(8) 15_454 5
Rb4 S2 Rb4 119.70(10) 15_454 5
P6 S3 Np4 89.76(12) 10 10
P6 S3 Rb3 107.79(13) 10 15_454
Np4 S3 Rb3 104.73(8) 10 15_454
P6 S3 Rb1 87.76(11) 10 .
Np4 S3 Rb1 150.54(10) 10 .
Rb3 S3 Rb1 103.97(7) 15_454 .
P1 S4 Np1 90.52(12) . .
P1 S4 Np2 78.49(11) . .
Np1 S4 Np2 90.54(8) . .
P1 S4 Rb7 161.63(15) . .
Np1 S4 Rb7 106.77(9) . .
Np2 S4 Rb7 106.85(9) . .
P1 S4 Rb77 154.29(16) . 2_565
Np1 S4 Rb77 92.99(12) . 2_565
Np2 S4 Rb77 126.89(13) . 2_565
Rb7 S4 Rb77 23.35(10) . 2_565
P1 S4 Rb77 144.93(16) . 1_545
Np1 S4 Rb77 122.97(12) . 1_545
Np2 S4 Rb77 90.09(11) . 1_545
Rb7 S4 Rb77 22.51(9) . 1_545
Rb77 S4 Rb77 45.44(19) 2_565 1_545
P1 S4 Rb4 86.39(12) . 15_454
Np1 S4 Rb4 100.92(8) . 15_454
Np2 S4 Rb4 161.13(10) . 15_454
Rb7 S4 Rb4 84.31(7) . 15_454
Rb77 S4 Rb4 67.94(10) 2_565 15_454
Rb77 S4 Rb4 96.02(10) 1_545 15_454
P7 S5 Np1 89.06(10) . 14_454
P7 S5 Rb5 93.53(12) . .
Np1 S5 Rb5 118.59(8) 14_454 .
P7 S5 Rb1 92.22(9) . 14_454
Np1 S5 Rb1 124.02(9) 14_454 14_454
Rb5 S5 Rb1 117.17(8) . 14_454
P4 S6 Np1 90.10(11) 3_565 13_454
P4 S6 Rb77 157.39(17) 3_565 14_464
Np1 S6 Rb77 91.53(11) 13_454 14_464
P4 S6 Rb4 89.29(11) 3_565 3_565
Np1 S6 Rb4 104.47(8) 13_454 3_565
Rb77 S6 Rb4 68.48(10) 14_464 3_565
P4 S6 Rb2 90.42(11) 3_565 12
Np1 S6 Rb2 106.02(8) 13_454 12
Rb77 S6 Rb2 110.73(12) 14_464 12
Rb4 S6 Rb2 149.51(8) 3_565 12
P1 S7 Np1 91.51(13) . .
P1 S7 Np2 76.56(11) . .
Np1 S7 Np2 89.23(7) . .
P2 S8 Rb1 95.85(13) 14_454 .
P2 S8 Rb2 108.17(14) 14_454 .
Rb1 S8 Rb2 119.78(9) . .
P2 S8 Rb77 104.86(17) 14_454 15_554
Rb1 S8 Rb77 95.61(11) . 15_554
Rb2 S8 Rb77 127.51(12) . 15_554
P2 S9 Np1 91.78(11) . .
P2 S9 Np2 92.51(11) . .
Np1 S9 Np2 94.33(7) . .
P2 S9 Rb5 140.06(13) . .
Np1 S9 Rb5 109.98(7) . .
Np2 S9 Rb5 117.64(7) . .
P2 S10 Np2 95.65(11) . .
P2 S10 Rb77 115.60(17) . 1_545
Np2 S10 Rb77 111.32(14) . 1_545
P2 S10 Rb7 91.44(12) . .
Np2 S10 Rb7 114.05(12) . .
Rb77 S10 Rb7 24.29(12) 1_545 .
P2 S10 Rb1 137.26(14) . 7_554
Np2 S10 Rb1 95.54(7) . 7_554
Rb77 S10 Rb1 98.16(14) 1_545 7_554
Rb7 S10 Rb1 120.69(7) . 7_554
P1 S11 Np2 84.16(12) . .
P1 S11 Rb3 148.73(15) . 5
Np2 S11 Rb3 116.92(8) . 5
P1 S11 Rb4 101.22(14) . 16_444
Np2 S11 Rb4 100.67(8) . 16_444
Rb3 S11 Rb4 97.29(7) 5 16_444
P6 S12 Np2 92.94(11) 3_565 14_454
P6 S12 Rb1 95.08(11) 3_565 12
Np2 S12 Rb1 103.19(8) 14_454 12
P6 S12 Rb4 94.20(11) 3_565 3_565
Np2 S12 Rb4 104.14(7) 14_454 3_565
Rb1 S12 Rb4 150.57(8) 12 3_565
P6 S12 Rb77 165.01(15) 3_565 14_464
Np2 S12 Rb77 96.15(11) 14_454 14_464
Rb1 S12 Rb77 94.41(12) 12 14_464
Rb4 S12 Rb77 72.04(10) 3_565 14_464
P5 S13 Rb6 88.05(13) 5 12_545
P5 S13 Rb2 108.74(14) 5 .
Rb6 S13 Rb2 107.61(8) 12_545 .
P3 S14 Np2 91.04(11) . .
P3 S14 Rb6 91.29(11) . 12_545
Np2 S14 Rb6 136.93(9) . 12_545
P3 S14 Rb5 86.86(11) . .
Np2 S14 Rb5 113.44(8) . .
Rb6 S14 Rb5 109.63(6) 12_545 .
P3 S15 Np2 90.87(11) . .
P3 S15 Rb1 152.74(13) . 7_554
Np2 S15 Rb1 98.07(7) . 7_554
P3 S15 Rb2 100.67(11) . 14_454
Np2 S15 Rb2 131.11(8) . 14_454
Rb1 S15 Rb2 92.74(7) 7_554 14_454
P6 S16 Np2 91.92(11) 16_444 .
P6 S16 Rb3 90.51(11) 16_444 5
Np2 S16 Rb3 116.04(8) . 5
P6 S16 Rb3 88.32(10) 16_444 .
Np2 S16 Rb3 131.39(8) . .
Rb3 S16 Rb3 112.56(7) 5 .
P7 S17 Np1 92.26(12) 12 16_454
P7 S17 Rb1 94.86(13) 12 12
Np1 S17 Rb1 115.14(13) 16_454 12
P7 S17 Rb2 138.39(18) 12 .
Np1 S17 Rb2 117.54(10) 16_454 .
Rb1 S17 Rb2 97.29(9) 12 .
P3 S18 Np3 90.37(10) . .
P3 S18 Rb5 101.73(11) . .
Np3 S18 Rb5 148.70(9) . .
P3 S18 Rb2 93.56(11) . 14_454
Np3 S18 Rb2 111.39(7) . 14_454
Rb5 S18 Rb2 96.71(6) . 14_454
P3 S19 Np3 92.84(11) . .
P3 S19 Rb3 126.14(12) . .
Np3 S19 Rb3 111.85(8) . .
P3 S19 Rb6 93.81(11) . 12_545
Np3 S19 Rb6 107.40(8) . 12_545
Rb3 S19 Rb6 120.34(8) . 12_545
P5 S20 Np3 91.25(10) 14_454 .
P5 S20 Np3 94.17(11) 14_454 14_454
Np3 S20 Np3 100.59(7) . 14_454
P5 S20 Rb6 91.08(10) 14_454 3_565
Np3 S20 Rb6 159.02(8) . 3_565
Np3 S20 Rb6 100.03(7) 14_454 3_565
P4 S21 Np3 92.09(12) . .
P4 S21 Rb2 99.89(12) . 10_554
Np3 S21 Rb2 134.28(11) . 10_554
P4 S21 Rb2 137.86(14) . 14_454
Np3 S21 Rb2 114.61(8) . 14_454
Rb2 S21 Rb2 84.62(6) 10_554 14_454
P4 S22 Np1 91.95(12) . 7_554
P4 S22 Rb3 94.79(12) . .
Np1 S22 Rb3 132.35(11) 7_554 .
P4 S22 Rb1 140.22(14) . 7_554
Np1 S22 Rb1 107.48(8) 7_554 7_554
Rb3 S22 Rb1 96.72(7) . 7_554
P4 S23 Np3 90.80(10) . .
P4 S23 Rb4 98.16(11) . .
Np3 S23 Rb4 150.52(8) . .
P4 S23 Rb3 90.31(10) . .
Np3 S23 Rb3 105.64(7) . .
Rb4 S23 Rb3 102.35(6) . .
P5 S24 Np3 94.23(12) 14_454 .
P5 S24 Np4 93.23(12) 14_454 .
Np3 S24 Np4 101.05(9) . .
P5 S25 Np4 91.07(11) 14_454 .
P5 S25 Np3 94.22(11) 14_454 14_454
Np4 S25 Np3 96.89(7) . 14_454
P6 S26 Np4 91.33(11) . .
P6 S26 Rb3 93.06(10) . 11
Np4 S26 Rb3 107.17(7) . 11
P6 S26 Rb4 96.26(11) . .
Np4 S26 Rb4 147.87(9) . .
Rb3 S26 Rb4 103.55(7) 11 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rb1 S17 3.260(4) 11_455
Rb1 S12 3.283(3) 11_455
Rb1 S5 3.329(3) 14_454
Rb1 S8 3.356(3) .
Rb1 S15 3.500(3) 15_454
Rb1 S3 3.534(3) .
Rb1 S10 3.639(3) 15_454
Rb1 S22 3.933(3) 15_454
Rb1 S1 3.936(4) 14_454
Rb1 P7 3.9685(12) .
Rb1 P6 4.013(3) 10
Rb1 P2 4.064(3) 14_454
Rb2 S8 3.399(3) .
Rb2 S17 3.500(4) .
Rb2 S21 3.505(3) 10
Rb2 S15 3.513(3) 14_454
Rb2 S21 3.669(3) 14_454
Rb2 S18 3.730(3) 14_454
Rb2 S6 3.830(3) 11_455
Rb2 S13 3.981(4) .
Rb2 Rb2 4.830(3) 5
Rb2 Rb1 5.076(2) 12
Rb2 Rb5 5.2907(15) .
Rb3 S19 3.249(2) .
Rb3 S22 3.273(3) .
Rb3 S26 3.283(3) 12_545
Rb3 S3 3.322(3) 7_554
Rb3 S11 3.384(3) 5
Rb3 S16 3.389(3) 5
Rb3 S23 3.408(3) .
Rb3 S2 3.427(3) 7_554
Rb3 P6 3.962(3) 12_545
Rb3 S16 3.968(3) .
Rb3 P4 3.987(3) .
Rb3 Rb4 5.2313(17) 12_545
Rb4 S26 3.376(3) .
Rb4 S23 3.403(2) .
Rb4 S2 3.441(4) 7_554
Rb4 S12 3.455(3) 4_655
Rb4 S11 3.583(3) 8_554
Rb4 S2 3.664(4) 5
Rb4 S6 3.723(3) 4_655
Rb4 S4 3.850(3) 7_554
Rb4 Rb77 4.125(6) 8_454
Rb4 Rb7 4.944(4) 7_554
Rb4 Rb4 5.199(2) 2_655
Rb4 Rb3 5.2314(17) 11
Rb5 S5 3.325(3) .
Rb5 S5 3.325(3) 14_454
Rb5 S18 3.341(2) 14_454
Rb5 S18 3.341(2) .
Rb5 S9 3.651(2) .
Rb5 S9 3.651(2) 14_454
Rb5 S14 3.857(2) 14_454
Rb5 S14 3.858(2) .
Rb5 P7 4.004(4) .
Rb5 Rb2 5.2906(15) 14_454
Rb6 S19 3.359(3) 8_554
Rb6 S19 3.359(3) 11
Rb6 S14 3.462(2) 8_554
Rb6 S14 3.462(2) 11
Rb6 S20 3.468(2) 15_554
Rb6 S20 3.468(2) 4_655
Rb6 S13 3.633(3) 11
Rb6 S13 3.633(3) 8_554
Rb6 P3 4.052(3) 8_554
Rb6 P3 4.052(3) 11
Rb6 P5 4.069(3) 8_554
Rb6 P5 4.069(3) 11
Rb7 Rb77 1.421(6) 1_545
Rb7 Rb77 1.421(6) 2_565
Rb7 S1 3.314(4) .
Rb7 S1 3.314(4) 2
Rb7 S10 3.437(3) 2
Rb7 S10 3.437(3) .
Rb7 S4 3.508(4) .
Rb7 S4 3.508(4) 2
Rb7 P2 4.045(3) .
Rb7 P2 4.045(3) 2
Rb7 Rb7 4.444(10) 3
Rb7 Rb77 4.907(7) 3_455
Rb77 Rb7 1.421(6) 1_565
Rb77 Rb77 2.795(12) 2_575
Rb77 S10 2.985(5) 1_565
Rb77 S1 3.018(6) 2_565
Rb77 S8 3.424(7) 7_564
Rb77 S4 3.516(6) 2_565
Rb77 S12 3.558(6) 14_464
Rb77 S6 3.606(6) 14_464
Rb77 S4 3.706(6) 1_565
Rb77 Rb4 4.125(6) 16_454
Rb77 Np1 4.647(5) 2_565
Rb77 Np2 4.780(5) 1_565
Np1 S17 2.749(3) 8_454
Np1 S22 2.774(3) 15_454
Np1 S1 2.778(3) .
Np1 S9 2.800(2) .
Np1 S7 2.834(3) .
Np1 S6 2.836(2) 13_444
Np1 S5 2.839(3) 14_454
Np1 S4 2.860(3) .
Np1 Rb77 4.647(5) 2_565
Np2 S10 2.802(3) .
Np2 S14 2.821(2) .
Np2 S15 2.832(2) .
Np2 S12 2.834(2) 14_454
Np2 S11 2.851(3) .
Np2 S16 2.877(2) .
Np2 S9 2.892(2) .
Np2 S4 3.013(3) .
Np2 S7 3.103(3) .
Np2 P1 3.323(3) .
Np2 Rb77 4.780(5) 1_545
Np3 S19 2.708(2) .
Np3 S21 2.744(3) .
Np3 S23 2.778(2) .
Np3 S24 2.792(3) .
Np3 S18 2.800(2) .
Np3 S20 2.877(2) .
Np3 S25 2.913(2) 14_454
Np3 S20 2.917(2) 14_454
Np4 S26 2.736(2) .
Np4 S26 2.736(2) 14_454
Np4 S3 2.795(3) 5
Np4 S3 2.795(3) 10_554
Np4 S24 2.849(3) .
Np4 S24 2.850(3) 14_454
Np4 S25 2.906(2) 14_454
Np4 S25 2.906(2) .
P1 S2 1.955(4) .
P1 S11 2.020(4) .
P1 S7 2.111(4) .
P1 S4 2.125(4) .
P2 S8 1.976(4) 14_454
P2 S10 2.049(4) .
P2 S1 2.052(4) .
P2 S9 2.071(4) .
P2 Rb1 4.064(3) 14_454
P3 S15 2.022(3) .
P3 S14 2.029(3) .
P3 S18 2.048(3) .
P3 S19 2.055(3) .
P3 Rb6 4.052(3) 12_545
P4 S22 2.020(4) .
P4 S6 2.024(3) 4_655
P4 S21 2.036(3) .
P4 S23 2.051(3) .
P5 S13 1.961(4) 5
P5 S24 2.040(4) 14_454
P5 S20 2.064(3) 14_454
P5 S25 2.066(3) 14_454
P5 Rb6 4.069(3) 12_545
P6 S16 2.023(3) 8_554
P6 S12 2.034(3) 4_655
P6 S3 2.045(3) 10_554
P6 S26 2.050(4) .
P6 Rb3 3.962(3) 11
P6 Rb1 4.013(3) 10_554
P7 S17 2.005(4) 8_454
P7 S17 2.005(4) 11_455
P7 S5 2.035(3) 14_454
P7 S5 2.035(3) .
P7 Rb1 3.9685(12) 14_454
S1 Rb77 3.018(6) 2_565
S1 Rb1 3.936(4) 14_454
S2 Rb3 3.427(3) 15_454
S2 Rb4 3.441(4) 15_454
S2 Rb4 3.664(4) 5
S3 P6 2.045(3) 10
S3 Np4 2.795(3) 10
S3 Rb3 3.322(3) 15_454
S4 Rb77 3.516(6) 2_565
S4 Rb77 3.706(6) 1_545
S4 Rb4 3.850(3) 15_454
S5 Np1 2.839(3) 14_454
S5 Rb1 3.329(3) 14_454
S6 P4 2.024(3) 3_565
S6 Np1 2.836(2) 13_454
S6 Rb77 3.606(6) 14_464
S6 Rb4 3.723(3) 3_565
S6 Rb2 3.831(3) 12
S8 P2 1.976(4) 14_454
S8 Rb77 3.424(7) 15_554
S10 Rb77 2.985(5) 1_545
S10 Rb1 3.638(3) 7_554
S11 Rb3 3.384(3) 5
S11 Rb4 3.583(3) 16_444
S12 P6 2.034(3) 3_565
S12 Np2 2.834(2) 14_454
S12 Rb1 3.283(3) 12
S12 Rb4 3.455(3) 3_565
S12 Rb77 3.558(6) 14_464
S13 P5 1.961(4) 5
S13 Rb6 3.633(3) 12_545
S14 Rb6 3.462(2) 12_545
S15 Rb1 3.500(3) 7_554
S15 Rb2 3.513(3) 14_454
S16 P6 2.023(3) 16_444
S16 Rb3 3.389(3) 5
S17 P7 2.005(4) 12
S17 Np1 2.749(3) 16_454
S17 Rb1 3.259(4) 12
S18 Rb2 3.730(3) 14_454
S19 Rb6 3.359(3) 12_545
S20 P5 2.064(3) 14_454
S20 Np3 2.917(2) 14_454
S20 Rb6 3.468(2) 3_565
S21 Rb2 3.505(3) 10_554
S21 Rb2 3.669(3) 14_454
S22 Np1 2.774(3) 7_554
S22 Rb1 3.933(3) 7_554
S24 P5 2.040(4) 14_454
S25 P5 2.066(3) 14_454
S25 Np3 2.913(2) 14_454
S26 Rb3 3.283(3) 11
