#------------------------------------------------------------------------------
#$Date: 2023-05-31 01:56:01 +0300 (Wed, 31 May 2023) $
#$Revision: 284075 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/31/7713193.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_7713193
loop_
_publ_author_name
'Morrison, Gregory'
'Masachchi, Lakshani W.'
'Tisdale, Hunter B.'
'Chang, Tieyan'
'Jones, Virginia G.'
'Zamorano, K. Pilar'
'Breton, Logan S.'
'Smith, Mark D.'
'Chen, Yu-Sheng'
'Zur Loye, Hans-Conrad'
_publ_section_title
;
 Polymorphism in A3MF6 (A = Rb, Cs; M = Al, Ga) Grown using Mixed Halide
 Fluxes
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT00352C
_journal_year                    2023
_chemical_formula_moiety         '0.08(Al12 Cs36 F72)'
_chemical_formula_sum            'Al Cs3 F6'
_chemical_formula_weight         539.71
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_audit_creation_date             2022-01-12
_audit_creation_method
;
Olex2 1.2
(compiled May 18 2018 14:05:52 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2022-07-28 deposited with the CCDC.	2023-05-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 109.6410(10)
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   11.2739(2)
_cell_length_b                   19.5018(4)
_cell_length_c                   11.3248(2)
_cell_measurement_reflns_used    9264
_cell_measurement_temperature    300.00
_cell_measurement_theta_max      36.2454
_cell_measurement_theta_min      3.2991
_cell_volume                     2345.02(8)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'Bruker APEX3 v2016.5-0 (Bruker, 2016)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 013)'
_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 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      300.0
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0374
_diffrn_reflns_av_unetI/netI     0.0117
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            108074
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.142
_diffrn_reflns_theta_min         2.184
_diffrn_source                   'microfocus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    14.061
_exptl_absorpt_correction_T_max  0.7471
_exptl_absorpt_correction_T_min  0.6507
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016) was used for absorption correction.
wR2(int) was 0.1122 before and 0.0580 after correction.
The Ratio of minimum to maximum transmission is 0.8710.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    4.586
_exptl_crystal_description       polyhedron
_exptl_crystal_F_000             2784
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         3.972
_refine_diff_density_min         -2.609
_refine_diff_density_rms         0.199
_refine_ls_extinction_coef       0.000148(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.166
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     166
_refine_ls_number_reflns         4590
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.165
_refine_ls_R_factor_all          0.0273
_refine_ls_R_factor_gt           0.0244
_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)+(0.0242P)²+18.9315P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0586
_refine_ls_wR_factor_ref         0.0619
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4298
_reflns_number_total             4590
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt00352c2.cif
_cod_data_source_block           Cs3AlF6_C2_m
_cod_database_code               7713193
_shelx_shelxl_version_number     2018/3
_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   0.603
_shelx_estimated_absorpt_t_min   0.603
_olex2_refinement_description
;
1. Twinned data refinement
 Scales: 0.9415(13)
 0.0585(13)
2. Uiso/Uaniso restraints and constraints
Uanis(F2A) = Uanis(F2B) = Uanis(F2C)
Uanis(Cs1A) = Uanis(Cs1B)
Uanis(F1A) = Uanis(F1B)
3. Others
 2*[Sof(Cs1A)+Sof(Cs1B)+Sof(F1A)+Sof(F2A)+Sof(F2C)]+1*[Sof(F1B)+Sof(F2B)]=1
 with esd of 0.001
 2*[Sof(Cs1A)+Sof(Cs1B)+Sof(F1A)+Sof(F2A)+Sof(F2C)]+1*[Sof(F1B)+Sof(F2B)]=1
 with esd of 0.001
 Sof(Cs1A)=1-FVAR(1)
 Sof(Cs1B)=Sof(F1A)=Sof(F2A)=Sof(F2C)=FVAR(1)
 Sof(F1B)=0.5*FVAR(3)
 Sof(F2B)=FVAR(2)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
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
Cs1A Cs 0.63952(11) 0.68949(6) 0.85473(10) 0.02180(13) Uani 0.685(4) 1 d . . . .
.
Cs1B Cs 0.6297(2) 0.67719(11) 0.8651(2) 0.02180(13) Uani 0.315(4) 1 d . . . . .
Cs2 Cs 0.35484(3) 0.500000 0.57122(3) 0.02420(7) Uani 1 2 d S T P . .
Cs3 Cs 0.79277(3) 1.000000 1.21052(3) 0.02485(7) Uani 1 2 d S T P . .
Cs4 Cs 0.28282(2) 0.64406(2) 0.77842(2) 0.02494(6) Uani 1 1 d . . . . .
Cs5 Cs -0.08368(4) 0.500000 0.14290(3) 0.02811(7) Uani 1 2 d S T P . .
Cs6 Cs 0.62593(2) 0.83220(2) 0.37939(2) 0.02601(5) Uani 1 1 d . . . . .
Al1 Al 0.500000 0.83413(6) 1.000000 0.0130(2) Uani 1 2 d S T P . .
Al2 Al 0.500000 0.500000 1.000000 0.0152(3) Uani 1 4 d S T P . .
Al3 Al 0.000000 0.500000 0.500000 0.0140(3) Uani 1 4 d S T P . .
Al4 Al 0.500000 0.67271(7) 0.500000 0.0132(2) Uani 1 2 d S T P . .
F1A F 0.4602(17) 0.4815(13) 0.835(2) 0.069(6) Uani 0.315(4) 1 d . . . . .
F1B F 0.421(3) 0.500000 0.835(4) 0.069(6) Uani 0.370(8) 2 d S T P . .
F2A F 0.5469(14) 0.5811(7) 0.9622(13) 0.059(2) Uani 0.315(4) 1 d . . . . .
F2B F 0.6132(12) 0.5641(7) 0.9840(11) 0.059(2) Uani 0.370(8) 1 d . . . . .
F2C F 0.6588(12) 0.5272(6) 1.0288(12) 0.059(2) Uani 0.315(4) 1 d . . . . .
F3 F 0.0975(3) 0.500000 0.3988(3) 0.0305(7) Uani 1 2 d S T P . .
F4 F 0.1000(3) 0.56511(14) 0.5967(3) 0.0359(6) Uani 1 1 d . . . . .
F5 F 0.4026(2) 0.60616(12) 0.3995(2) 0.0285(5) Uani 1 1 d . . . . .
F6 F 0.5991(2) 0.73864(11) 0.5988(2) 0.0260(4) Uani 1 1 d . . . . .
F7 F 0.4004(2) 0.67169(13) 0.5959(2) 0.0296(5) Uani 1 1 d . . . . .
F8 F 0.4029(2) 0.76783(12) 0.9020(2) 0.0311(5) Uani 1 1 d . . . . .
F9 F 0.4018(3) 0.83498(13) 1.0981(3) 0.0306(5) Uani 1 1 d . . . . .
F10 F 0.6001(2) 0.89954(13) 1.0980(2) 0.0310(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
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
F2A Cs1A F2B 15.5(3) . . ?
F2A Cs1A F2C 24.3(4) . . ?
F2A Cs1A F5 92.5(3) . 2_656 ?
F2A Cs1A F6 135.7(3) . . ?
F2A Cs1A F7 89.7(3) . . ?
F2A Cs1A F8 80.7(3) . . ?
F2A Cs1A F8 129.1(3) . 8_565 ?
F2A Cs1A F8 79.0(3) . 2_657 ?
F2A Cs1A F9 122.7(3) . 2_657 ?
F2A Cs1A F9 83.7(3) . 8_565 ?
F2A Cs1A F10 88.5(4) . 7_667 ?
F2B Cs1A F2C 8.8(3) . . ?
F2B Cs1A F5 90.9(2) . 2_656 ?
F2B Cs1A F6 139.5(2) . . ?
F2B Cs1A F7 99.7(2) . . ?
F2B Cs1A F8 94.8(3) . . ?
F2B Cs1A F8 84.4(2) . 2_657 ?
F2B Cs1A F8 114.3(3) . 8_565 ?
F2B Cs1A F9 131.8(2) . 2_657 ?
F2B Cs1A F9 71.1(2) . 8_565 ?
F2B Cs1A F10 73.3(3) . 7_667 ?
F5 Cs1A F2C 90.53(19) 2_656 . ?
F5 Cs1A F7 46.39(6) 2_656 . ?
F5 Cs1A F8 120.14(7) 2_656 . ?
F5 Cs1A F8 163.85(8) 2_656 2_657 ?
F5 Cs1A F9 119.60(7) 2_656 8_565 ?
F5 Cs1A F10 74.53(6) 2_656 7_667 ?
F6 Cs1A F2C 140.08(19) . . ?
F6 Cs1A F5 49.56(6) . 2_656 ?
F6 Cs1A F7 48.85(6) . . ?
F6 Cs1A F8 84.27(7) . 8_565 ?
F6 Cs1A F8 130.53(7) . 2_657 ?
F6 Cs1A F8 98.30(8) . . ?
F6 Cs1A F9 83.31(7) . 2_657 ?
F6 Cs1A F9 131.54(7) . 8_565 ?
F6 Cs1A F10 99.58(8) . 7_667 ?
F7 Cs1A F2C 105.7(2) . . ?
F7 Cs1A F8 119.19(7) . 2_657 ?
F7 Cs1A F8 73.99(6) . . ?
F7 Cs1A F9 164.36(7) . 8_565 ?
F7 Cs1A F10 120.74(7) . 7_667 ?
F8 Cs1A F2C 102.6(2) . . ?
F8 Cs1A F2C 87.2(2) 2_657 . ?
F8 Cs1A F2C 105.6(2) 8_565 . ?
F8 Cs1A F5 98.19(8) 8_565 2_656 ?
F8 Cs1A F7 131.96(8) 8_565 . ?
F8 Cs1A F8 131.61(5) 8_565 . ?
F8 Cs1A F8 45.31(8) . 2_657 ?
F8 Cs1A F8 97.82(7) 8_565 2_657 ?
F8 Cs1A F9 48.05(6) 8_565 8_565 ?
F8 Cs1A F9 73.43(6) 2_657 8_565 ?
F8 Cs1A F9 118.53(7) . 8_565 ?
F8 Cs1A F10 161.89(8) . 7_667 ?
F8 Cs1A F10 48.16(6) 8_565 7_667 ?
F9 Cs1A F2C 135.3(2) 2_657 . ?
F9 Cs1A F2C 63.85(19) 8_565 . ?
F9 Cs1A F5 131.77(8) 2_657 2_656 ?
F9 Cs1A F7 97.58(8) 2_657 . ?
F9 Cs1A F8 48.29(6) 2_657 . ?
F9 Cs1A F8 48.14(6) 2_657 2_657 ?
F9 Cs1A F8 84.63(8) 2_657 8_565 ?
F9 Cs1A F9 97.93(7) 2_657 8_565 ?
F9 Cs1A F10 131.51(8) 2_657 7_667 ?
F10 Cs1A F2C 64.7(2) 7_667 . ?
F10 Cs1A F8 118.44(7) 7_667 2_657 ?
F10 Cs1A F9 45.20(6) 7_667 8_565 ?
F2A Cs1B F2B 17.3(4) . . ?
F2A Cs1B F2C 26.4(5) . . ?
F2A Cs1B F5 98.3(3) . 2_656 ?
F2A Cs1B F6 140.0(3) . . ?
F2A Cs1B F7 95.2(3) . . ?
F2A Cs1B F8 133.4(4) . 8_565 ?
F2A Cs1B F8 83.8(3) . 2_657 ?
F2A Cs1B F8 85.7(4) . . ?
F2A Cs1B F9 126.8(4) . 2_657 ?
F2A Cs1B F9 88.8(4) . 8_565 ?
F2A Cs1B F10 94.0(4) . 7_667 ?
F2B Cs1B F2C 9.2(4) . . ?
F2B Cs1B F5 96.4(3) . 2_656 ?
F2B Cs1B F6 143.8(3) . . ?
F2B Cs1B F7 106.3(3) . . ?
F2B Cs1B F8 116.9(3) . 8_565 ?
F2B Cs1B F8 89.6(3) . 2_657 ?
F2B Cs1B F8 101.3(3) . . ?
F2B Cs1B F9 136.4(3) . 2_657 ?
F2B Cs1B F9 74.8(3) . 8_565 ?
F2B Cs1B F10 77.0(3) . 7_667 ?
F5 Cs1B F2C 95.6(2) 2_656 . ?
F5 Cs1B F7 46.29(7) 2_656 . ?
F5 Cs1B F8 120.52(10) 2_656 . ?
F5 Cs1B F8 166.02(11) 2_656 2_657 ?
F5 Cs1B F9 119.78(10) 2_656 8_565 ?
F5 Cs1B F10 74.46(8) 2_656 7_667 ?
F6 Cs1B F2C 143.4(2) . . ?
F6 Cs1B F5 47.91(7) . 2_656 ?
F6 Cs1B F7 47.38(7) . . ?
F6 Cs1B F8 94.49(10) . . ?
F6 Cs1B F8 123.73(9) . 2_657 ?
F6 Cs1B F9 124.26(9) . 8_565 ?
F6 Cs1B F10 95.36(9) . 7_667 ?
F7 Cs1B F2C 112.3(2) . . ?
F7 Cs1B F8 119.85(10) . 2_657 ?
F7 Cs1B F9 165.93(11) . 8_565 ?
F7 Cs1B F10 120.75(10) . 7_667 ?
F8 Cs1B F2C 107.9(2) 8_565 . ?
F8 Cs1B F2C 109.4(2) . . ?
F8 Cs1B F2C 92.4(2) 2_657 . ?
F8 Cs1B F5 94.01(10) 8_565 2_656 ?
F8 Cs1B F6 77.63(8) 8_565 . ?
F8 Cs1B F7 124.45(9) 8_565 . ?
F8 Cs1B F7 74.23(8) . . ?
F8 Cs1B F8 45.66(8) . 2_657 ?
F8 Cs1B F8 94.48(10) 8_565 2_657 ?
F8 Cs1B F8 125.01(8) 8_565 . ?
F8 Cs1B F9 73.96(8) 2_657 8_565 ?
F8 Cs1B F9 46.96(7) 8_565 8_565 ?
F8 Cs1B F9 119.62(10) . 8_565 ?
F8 Cs1B F10 46.91(7) 8_565 7_667 ?
F8 Cs1B F10 164.93(11) . 7_667 ?
F9 Cs1B F2C 67.2(2) 8_565 . ?
F9 Cs1B F2C 139.5(2) 2_657 . ?
F9 Cs1B F5 124.37(10) 2_657 2_656 ?
F9 Cs1B F6 76.93(8) 2_657 . ?
F9 Cs1B F7 93.83(10) 2_657 . ?
F9 Cs1B F8 47.24(7) 2_657 . ?
F9 Cs1B F8 47.20(7) 2_657 2_657 ?
F9 Cs1B F8 78.36(8) 2_657 8_565 ?
F9 Cs1B F9 94.59(9) 2_657 8_565 ?
F9 Cs1B F10 124.71(10) 2_657 7_667 ?
F10 Cs1B F2C 68.1(2) 7_667 . ?
F10 Cs1B F8 119.30(10) 7_667 2_657 ?
F10 Cs1B F9 45.34(7) 7_667 8_565 ?
F1A Cs2 F1A 14.6(10) 6_565 . ?
F1A Cs2 F3 132.6(3) 6_565 . ?
F1A Cs2 F3 132.6(3) . . ?
F1A Cs2 F4 85.8(3) . 6_565 ?
F1A Cs2 F4 91.5(3) . . ?
F1A Cs2 F4 85.8(3) 6_565 . ?
F1A Cs2 F4 91.5(3) 6_565 6_565 ?
F1A Cs2 F5 119.3(5) 6_565 . ?
F1A Cs2 F5 86.3(4) . 2_656 ?
F1A Cs2 F5 77.2(4) . 5_666 ?
F1A Cs2 F5 131.6(4) . . ?
F1A Cs2 F5 86.3(4) 6_565 5_666 ?
F1A Cs2 F5 131.6(4) 6_565 6_565 ?
F1A Cs2 F5 119.3(5) . 6_565 ?
F1A Cs2 F5 77.2(4) 6_565 2_656 ?
F1A Cs2 F7 92.3(5) 6_565 6_565 ?
F1A Cs2 F7 92.3(5) . . ?
F1A Cs2 F7 77.8(5) . 6_565 ?
F1A Cs2 F7 77.8(5) 6_565 . ?
F1B Cs2 F1A 11.6(6) . 6_565 ?
F1B Cs2 F1A 11.6(6) . . ?
F1B Cs2 F3 124.1(7) . . ?
F1B Cs2 F4 80.4(6) . 6_565 ?
F1B Cs2 F4 80.4(6) . . ?
F1B Cs2 F5 88.8(5) . 2_656 ?
F1B Cs2 F5 129.9(3) . . ?
F1B Cs2 F5 88.8(5) . 5_666 ?
F1B Cs2 F5 129.9(3) . 6_565 ?
F1B Cs2 F7 86.22(10) . 6_565 ?
F1B Cs2 F7 86.22(10) . . ?
F3 Cs2 F4 49.03(7) . 6_565 ?
F3 Cs2 F4 49.03(7) . . ?
F3 Cs2 F5 85.45(7) . . ?
F3 Cs2 F5 131.56(5) . 2_656 ?
F3 Cs2 F5 85.45(7) . 6_565 ?
F3 Cs2 F5 131.56(5) . 5_666 ?
F3 Cs2 F7 98.35(5) . . ?
F3 Cs2 F7 98.35(5) . 6_565 ?
F4 Cs2 F4 46.12(9) 6_565 . ?
F4 Cs2 F5 117.82(6) 6_565 5_666 ?
F4 Cs2 F5 117.82(6) . 2_656 ?
F4 Cs2 F5 161.80(7) . 5_666 ?
F4 Cs2 F5 161.80(7) 6_565 2_656 ?
F4 Cs2 F7 119.65(6) . 6_565 ?
F4 Cs2 F7 119.65(6) 6_565 . ?
F4 Cs2 F7 73.73(6) 6_565 6_565 ?
F4 Cs2 F7 73.73(6) . . ?
F5 Cs2 F4 133.10(6) . 6_565 ?
F5 Cs2 F4 133.10(6) 6_565 . ?
F5 Cs2 F4 98.30(7) . . ?
F5 Cs2 F4 98.30(7) 6_565 6_565 ?
F5 Cs2 F5 86.91(9) . 6_565 ?
F5 Cs2 F5 99.87(6) 6_565 2_656 ?
F5 Cs2 F5 47.37(8) . 2_656 ?
F5 Cs2 F5 47.37(8) 6_565 5_666 ?
F5 Cs2 F5 99.87(6) . 5_666 ?
F5 Cs2 F5 76.18(8) 2_656 5_666 ?
F5 Cs2 F7 46.98(6) 6_565 6_565 ?
F5 Cs2 F7 44.40(6) 5_666 6_565 ?
F5 Cs2 F7 132.73(6) . 6_565 ?
F5 Cs2 F7 46.98(6) . . ?
F5 Cs2 F7 120.40(6) 5_666 . ?
F5 Cs2 F7 44.40(6) 2_656 . ?
F5 Cs2 F7 120.40(6) 2_656 6_565 ?
F5 Cs2 F7 132.73(6) 6_565 . ?
F7 Cs2 F7 163.16(9) . 6_565 ?
F1A Cs3 F1A 13.8(9) 7_667 4_657 ?
F1A Cs3 F1B 7.0(5) 4_657 7_667 ?
F1A Cs3 F1B 7.0(5) 7_667 7_667 ?
F1A Cs3 F2A 43.2(5) 4_657 4_657 ?
F1A Cs3 F2A 33.1(5) 7_667 4_657 ?
F1B Cs3 F2A 38.7(5) 7_667 4_657 ?
F2B Cs3 F1A 49.8(5) 7_667 7_667 ?
F2B Cs3 F1A 41.9(5) 4_657 7_667 ?
F2B Cs3 F1A 41.9(5) 7_667 4_657 ?
F2B Cs3 F1A 49.8(5) 4_657 4_657 ?
F2B Cs3 F1B 46.5(6) 4_657 7_667 ?
F2B Cs3 F1B 46.5(6) 7_667 7_667 ?
F2B Cs3 F2A 11.4(3) 4_657 4_657 ?
F2B Cs3 F2A 53.0(2) 7_667 4_657 ?
F2B Cs3 F2B 48.9(5) 7_667 4_657 ?
F2C Cs3 F1A 53.6(5) 7_667 7_667 ?
F2C Cs3 F1A 50.5(5) 4_657 7_667 ?
F2C Cs3 F1A 53.6(5) 4_657 4_657 ?
F2C Cs3 F1A 50.5(5) 7_667 4_657 ?
F2C Cs3 F1B 52.8(7) 4_657 7_667 ?
F2C Cs3 F1B 52.8(7) 7_667 7_667 ?
F2C Cs3 F2A 27.9(4) 4_657 4_657 ?
F2C Cs3 F2A 43.8(3) 7_667 4_657 ?
F2C Cs3 F2B 17.8(3) 7_667 7_667 ?
F2C Cs3 F2B 36.4(4) 7_667 4_657 ?
F2C Cs3 F2B 17.8(3) 4_657 4_657 ?
F2C Cs3 F2B 36.4(4) 4_657 7_667 ?
F2C Cs3 F2C 20.5(5) 7_667 4_657 ?
F5 Cs3 F1A 81.5(4) 3_556 7_667 ?
F5 Cs3 F1A 91.2(5) 3_556 4_657 ?
F5 Cs3 F1A 91.2(5) 8_566 7_667 ?
F5 Cs3 F1A 81.5(4) 8_566 4_657 ?
F5 Cs3 F1B 85.6(5) 8_566 7_667 ?
F5 Cs3 F1B 85.6(5) 3_556 7_667 ?
F5 Cs3 F2A 124.2(2) 8_566 4_657 ?
F5 Cs3 F2A 85.3(3) 3_556 4_657 ?
F5 Cs3 F2B 94.3(3) 3_556 4_657 ?
F5 Cs3 F2B 131.2(2) 8_566 4_657 ?
F5 Cs3 F2B 131.2(2) 3_556 7_667 ?
F5 Cs3 F2B 94.3(3) 8_566 7_667 ?
F5 Cs3 F2C 112.0(3) 8_566 7_667 ?
F5 Cs3 F2C 128.74(19) 8_566 4_657 ?
F5 Cs3 F2C 112.0(3) 3_556 4_657 ?
F5 Cs3 F2C 128.74(19) 3_556 7_667 ?
F5 Cs3 F5 89.69(10) 3_556 8_566 ?
F10 Cs3 F1A 116.4(5) 6_575 7_667 ?
F10 Cs3 F1A 127.4(4) . 7_667 ?
F10 Cs3 F1A 127.4(4) 6_575 4_657 ?
F10 Cs3 F1A 116.4(5) . 4_657 ?
F10 Cs3 F1B 122.6(4) 6_575 7_667 ?
F10 Cs3 F1B 122.6(4) . 7_667 ?
F10 Cs3 F2A 84.2(2) 6_575 4_657 ?
F10 Cs3 F2A 121.3(3) . 4_657 ?
F10 Cs3 F2B 110.9(3) 6_575 7_667 ?
F10 Cs3 F2B 110.9(3) . 4_657 ?
F10 Cs3 F2B 78.1(2) . 7_667 ?
F10 Cs3 F2B 78.1(2) 6_575 4_657 ?
F10 Cs3 F2C 79.6(2) 6_575 4_657 ?
F10 Cs3 F2C 93.4(3) . 4_657 ?
F10 Cs3 F2C 79.6(2) . 7_667 ?
F10 Cs3 F2C 93.4(3) 6_575 7_667 ?
F10 Cs3 F5 150.64(7) . 3_556 ?
F10 Cs3 F5 85.04(7) . 8_566 ?
F10 Cs3 F5 150.64(7) 6_575 8_566 ?
F10 Cs3 F5 85.04(7) 6_575 3_556 ?
F10 Cs3 F10 85.57(11) . 6_575 ?
F1A Cs4 F1A 6.9(5) 6_565 . ?
F1A Cs4 F1B 10.4(7) 6_565 . ?
F1A Cs4 F2A 34.6(5) 6_565 . ?
F1A Cs4 F2A 49.6(5) 6_565 2_657 ?
F1A Cs4 F6 155.3(4) 6_565 8_465 ?
F1B Cs4 F1A 4.1(7) . . ?
F1B Cs4 F2A 41.6(7) . . ?
F1B Cs4 F6 154.9(7) . 8_465 ?
F2A Cs4 F1A 51.8(4) 2_657 . ?
F2A Cs4 F1A 40.2(4) . . ?
F2A Cs4 F1B 50.6(8) 2_657 . ?
F2A Cs4 F2A 28.3(4) 2_657 . ?
F2A Cs4 F6 154.4(2) 2_657 8_465 ?
F2A Cs4 F6 155.6(2) . 8_465 ?
F2B Cs4 F1A 50.9(4) 2_657 . ?
F2B Cs4 F1A 50.9(4) 2_657 6_565 ?
F2B Cs4 F1B 48.5(7) 2_657 . ?
F2B Cs4 F2A 14.1(3) 2_657 2_657 ?
F2B Cs4 F2A 39.4(3) 2_657 . ?
F2B Cs4 F2C 17.6(3) 2_657 2_657 ?
F2B Cs4 F6 153.4(2) 2_657 8_465 ?
F2C Cs4 F1A 42.6(3) 2_657 . ?
F2C Cs4 F1A 45.2(4) 2_657 6_565 ?
F2C Cs4 F1B 39.2(7) 2_657 . ?
F2C Cs4 F2A 48.1(3) 2_657 . ?
F2C Cs4 F2A 30.1(4) 2_657 2_657 ?
F2C Cs4 F6 153.6(2) 2_657 8_465 ?
F4 Cs4 F1A 89.0(5) . 6_565 ?
F4 Cs4 F1A 83.0(4) . . ?
F4 Cs4 F1B 81.6(7) . . ?
F4 Cs4 F2A 123.2(2) . . ?
F4 Cs4 F2A 122.0(3) . 2_657 ?
F4 Cs4 F2B 109.9(3) . 2_657 ?
F4 Cs4 F2C 92.5(3) . 2_657 ?
F4 Cs4 F6 77.02(7) . 8_465 ?
F4 Cs4 F7 88.75(8) . . ?
F4 Cs4 F8 156.27(8) . . ?
F4 Cs4 F9 87.83(8) . 7_567 ?
F6 Cs4 F1A 153.7(4) 8_465 . ?
F7 Cs4 F1A 86.1(3) . . ?
F7 Cs4 F1A 82.7(3) . 6_565 ?
F7 Cs4 F1B 89.9(6) . . ?
F7 Cs4 F2A 89.2(2) . . ?
F7 Cs4 F2A 117.4(3) . 2_657 ?
F7 Cs4 F2B 127.8(2) . 2_657 ?
F7 Cs4 F2C 127.9(2) . 2_657 ?
F7 Cs4 F6 76.74(7) . 8_465 ?
F7 Cs4 F8 86.40(8) . . ?
F7 Cs4 F9 154.83(7) . 7_567 ?
F8 Cs4 F1A 119.7(3) . . ?
F8 Cs4 F1A 113.4(5) . 6_565 ?
F8 Cs4 F1B 121.6(7) . . ?
F8 Cs4 F2A 80.5(3) . 2_657 ?
F8 Cs4 F2A 80.0(2) . . ?
F8 Cs4 F2B 91.2(3) . 2_657 ?
F8 Cs4 F2C 108.8(3) . 2_657 ?
F8 Cs4 F6 79.27(7) . 8_465 ?
F8 Cs4 F9 86.78(8) . 7_567 ?
F9 Cs4 F1A 122.1(3) 7_567 6_565 ?
F9 Cs4 F1A 118.2(3) 7_567 . ?
F9 Cs4 F1B 114.2(6) 7_567 . ?
F9 Cs4 F2A 113.3(2) 7_567 . ?
F9 Cs4 F2A 85.2(2) 7_567 2_657 ?
F9 Cs4 F2B 76.5(2) 7_567 2_657 ?
F9 Cs4 F2C 77.2(2) 7_567 2_657 ?
F9 Cs4 F6 78.19(7) 7_567 8_465 ?
F2C Cs5 F2B 11.0(3) 6_464 6_464 ?
F2C Cs5 F2B 32.1(3) 1_454 6_464 ?
F2C Cs5 F2C 21.8(5) 6_464 1_454 ?
F2C Cs5 F3 136.5(3) 1_454 . ?
F2C Cs5 F3 136.5(3) 6_464 . ?
F2C Cs5 F4 97.2(2) 6_464 2_556 ?
F2C Cs5 F4 97.2(2) 1_454 5_566 ?
F2C Cs5 F4 88.8(3) 6_464 5_566 ?
F2C Cs5 F4 88.8(3) 1_454 2_556 ?
F2C Cs5 F9 75.6(2) 1_454 8_464 ?
F2C Cs5 F9 97.2(2) 1_454 3_444 ?
F2C Cs5 F9 97.2(2) 6_464 8_464 ?
F2C Cs5 F9 75.6(2) 6_464 3_444 ?
F2C Cs5 F10 135.1(2) 1_454 3_444 ?
F2C Cs5 F10 88.3(3) 6_464 7_566 ?
F2C Cs5 F10 88.3(3) 1_454 4_546 ?
F2C Cs5 F10 75.3(2) 1_454 7_566 ?
F2C Cs5 F10 135.1(2) 6_464 8_464 ?
F2C Cs5 F10 75.3(2) 6_464 4_546 ?
F2C Cs5 F10 117.6(2) 1_454 8_464 ?
F2C Cs5 F10 117.6(2) 6_464 3_444 ?
F3 Cs5 F2B 137.8(2) . 6_464 ?
F3 Cs5 F4 48.74(7) . 5_566 ?
F3 Cs5 F4 48.74(7) . 2_556 ?
F3 Cs5 F9 97.82(5) . 3_444 ?
F3 Cs5 F9 97.82(5) . 8_464 ?
F3 Cs5 F10 129.91(6) . 4_546 ?
F3 Cs5 F10 82.91(7) . 8_464 ?
F3 Cs5 F10 82.91(7) . 3_444 ?
F3 Cs5 F10 129.91(6) . 7_566 ?
F4 Cs5 F2B 89.08(19) 5_566 6_464 ?
F4 Cs5 F2B 105.1(2) 2_556 6_464 ?
F4 Cs5 F4 45.66(9) 2_556 5_566 ?
F4 Cs5 F10 165.26(7) 2_556 4_546 ?
F4 Cs5 F10 120.54(6) 5_566 4_546 ?
F4 Cs5 F10 120.54(6) 2_556 7_566 ?
F4 Cs5 F10 165.26(7) 5_566 7_566 ?
F9 Cs5 F2B 65.09(19) 3_444 6_464 ?
F9 Cs5 F2B 106.42(19) 8_464 6_464 ?
F9 Cs5 F4 120.62(6) 3_444 2_556 ?
F9 Cs5 F4 75.03(6) 3_444 5_566 ?
F9 Cs5 F4 120.62(6) 8_464 5_566 ?
F9 Cs5 F4 75.03(6) 8_464 2_556 ?
F9 Cs5 F9 163.09(9) 3_444 8_464 ?
F9 Cs5 F10 45.62(6) 8_464 7_566 ?
F9 Cs5 F10 45.62(6) 3_444 4_546 ?
F9 Cs5 F10 118.07(6) 3_444 7_566 ?
F9 Cs5 F10 118.07(6) 8_464 4_546 ?
F10 Cs5 F2B 90.75(19) 7_566 6_464 ?
F10 Cs5 F2B 65.9(2) 4_546 6_464 ?
F10 Cs5 F2B 138.57(19) 8_464 6_464 ?
F10 Cs5 F2B 106.71(19) 3_444 6_464 ?
F10 Cs5 F4 98.61(7) 3_444 5_566 ?
F10 Cs5 F4 130.83(6) 8_464 5_566 ?
F10 Cs5 F4 98.61(7) 8_464 2_556 ?
F10 Cs5 F4 130.83(6) 3_444 2_556 ?
F10 Cs5 F9 48.14(6) 8_464 8_464 ?
F10 Cs5 F9 48.14(6) 3_444 3_444 ?
F10 Cs5 F9 128.14(6) 3_444 8_464 ?
F10 Cs5 F9 128.14(6) 8_464 3_444 ?
F10 Cs5 F10 95.55(7) 8_464 4_546 ?
F10 Cs5 F10 95.55(7) 3_444 7_566 ?
F10 Cs5 F10 47.82(8) 8_464 7_566 ?
F10 Cs5 F10 47.82(8) 3_444 4_546 ?
F10 Cs5 F10 81.01(10) 8_464 3_444 ?
F10 Cs5 F10 72.51(8) 4_546 7_566 ?
F3 Cs6 F4 45.82(7) 3 7_566 ?
F3 Cs6 F6 121.02(7) 3 7_666 ?
F3 Cs6 F8 117.11(7) 3 2_656 ?
F3 Cs6 F9 89.33(8) 3 1_554 ?
F3 Cs6 F10 72.37(7) 3 1_554 ?
F4 Cs6 F3 46.06(7) 8_565 3 ?
F4 Cs6 F4 45.77(8) 8_565 7_566 ?
F4 Cs6 F5 92.69(7) 8_565 8_565 ?
F4 Cs6 F6 164.86(6) 7_566 7_666 ?
F4 Cs6 F6 121.12(6) 8_565 7_666 ?
F4 Cs6 F8 118.25(6) 7_566 2_656 ?
F4 Cs6 F8 161.21(6) 8_565 2_656 ?
F4 Cs6 F9 73.30(6) 7_566 1_554 ?
F4 Cs6 F9 118.64(6) 8_565 1_554 ?
F4 Cs6 F10 90.99(7) 7_566 1_554 ?
F4 Cs6 F10 118.26(6) 8_565 1_554 ?
F5 Cs6 F3 75.13(7) 8_565 3 ?
F5 Cs6 F4 120.72(6) 8_565 7_566 ?
F5 Cs6 F6 46.05(6) 8_565 7_666 ?
F5 Cs6 F8 89.39(6) 8_565 2_656 ?
F5 Cs6 F9 117.27(6) 8_565 1_554 ?
F5 Cs6 F10 72.57(6) 8_565 1_554 ?
F6 Cs6 F3 117.56(7) 2_656 3 ?
F6 Cs6 F3 118.68(7) . 3 ?
F6 Cs6 F4 90.29(7) . 7_566 ?
F6 Cs6 F4 72.92(6) . 8_565 ?
F6 Cs6 F4 91.00(7) 2_656 8_565 ?
F6 Cs6 F4 71.83(6) 2_656 7_566 ?
F6 Cs6 F5 164.53(6) 2_656 8_565 ?
F6 Cs6 F5 119.64(6) . 8_565 ?
F6 Cs6 F6 47.65(8) . 2_656 ?
F6 Cs6 F6 92.00(6) . 7_666 ?
F6 Cs6 F6 120.034(14) 2_656 7_666 ?
F6 Cs6 F7 73.30(6) . 8_565 ?
F6 Cs6 F7 120.57(6) 2_656 8_565 ?
F6 Cs6 F8 121.76(6) . 2_656 ?
F6 Cs6 F8 72.77(6) 7_666 2_656 ?
F6 Cs6 F8 91.94(6) 2_656 2_656 ?
F6 Cs6 F9 117.74(6) 7_666 1_554 ?
F6 Cs6 F9 121.02(6) . 1_554 ?
F6 Cs6 F9 73.57(6) 2_656 1_554 ?
F6 Cs6 F10 164.38(6) . 1_554 ?
F6 Cs6 F10 118.46(6) 2_656 1_554 ?
F6 Cs6 F10 90.81(6) 7_666 1_554 ?
F7 Cs6 F3 93.56(8) 8_565 3 ?
F7 Cs6 F3 163.71(7) 2_656 3 ?
F7 Cs6 F4 119.44(6) 2_656 7_566 ?
F7 Cs6 F4 120.37(6) 2_656 8_565 ?
F7 Cs6 F4 75.44(6) 8_565 8_565 ?
F7 Cs6 F4 121.06(6) 8_565 7_566 ?
F7 Cs6 F5 118.15(6) 2_656 8_565 ?
F7 Cs6 F5 46.48(6) 8_565 8_565 ?
F7 Cs6 F6 72.28(6) 2_656 7_666 ?
F7 Cs6 F6 47.87(6) 2_656 2_656 ?
F7 Cs6 F6 45.95(6) 8_565 7_666 ?
F7 Cs6 F6 47.68(6) 2_656 . ?
F7 Cs6 F7 90.23(7) 2_656 8_565 ?
F7 Cs6 F8 74.38(6) 2_656 2_656 ?
F7 Cs6 F8 118.39(6) 8_565 2_656 ?
F7 Cs6 F9 161.37(6) 8_565 1_554 ?
F7 Cs6 F9 92.12(7) 2_656 1_554 ?
F7 Cs6 F10 118.82(6) 8_565 1_554 ?
F7 Cs6 F10 119.24(6) 2_656 1_554 ?
F8 Cs6 F10 45.05(6) 2_656 1_554 ?
F9 Cs6 F8 45.16(6) 1_554 2_656 ?
F9 Cs6 F10 45.02(6) 1_554 1_554 ?
Cs1A Al1 Cs1A 166.31(5) 8_465 7_667 ?
Cs1A Al1 Cs1A 104.62(3) 2_657 7_667 ?
Cs1A Al1 Cs1A 64.74(3) . 7_667 ?
Cs1A Al1 Cs1A 86.01(5) 2_657 . ?
Cs1A Al1 Cs1A 64.74(3) 2_657 8_465 ?
Cs1A Al1 Cs1A 104.62(3) . 8_465 ?
Cs1A Al1 Cs5 103.95(2) . 7_566 ?
Cs1A Al1 Cs5 103.95(2) 2_657 3_556 ?
Cs1A Al1 Cs5 84.75(2) 8_465 3_556 ?
Cs1A Al1 Cs5 106.89(2) 8_465 7_566 ?
Cs1A Al1 Cs5 168.70(3) . 3_556 ?
Cs1A Al1 Cs5 168.70(3) 2_657 7_566 ?
Cs1A Al1 Cs5 106.89(2) 7_667 3_556 ?
Cs1A Al1 Cs5 84.75(2) 7_667 7_566 ?
Cs5 Al1 Cs5 66.72(2) 3_556 7_566 ?
F8 Al1 Cs1A 57.73(9) 2_657 2_657 ?
F8 Al1 Cs1A 59.36(9) . 2_657 ?
F8 Al1 Cs1A 59.36(9) 2_657 . ?
F8 Al1 Cs1A 47.32(9) . 8_465 ?
F8 Al1 Cs1A 47.32(9) 2_657 7_667 ?
F8 Al1 Cs1A 120.52(9) 2_657 8_465 ?
F8 Al1 Cs1A 57.73(9) . . ?
F8 Al1 Cs1A 120.52(9) . 7_667 ?
F8 Al1 Cs5 132.05(9) . 3_556 ?
F8 Al1 Cs5 121.46(9) . 7_566 ?
F8 Al1 Cs5 132.05(9) 2_657 7_566 ?
F8 Al1 Cs5 121.46(9) 2_657 3_556 ?
F8 Al1 F8 88.98(18) 2_657 . ?
F8 Al1 F9 89.95(13) . 2_657 ?
F8 Al1 F9 90.80(13) . . ?
F8 Al1 F9 90.79(13) 2_657 2_657 ?
F8 Al1 F9 89.95(13) 2_657 . ?
F8 Al1 F10 178.80(13) . . ?
F8 Al1 F10 90.20(12) 2_657 . ?
F8 Al1 F10 178.80(13) 2_657 2_657 ?
F8 Al1 F10 90.20(12) . 2_657 ?
F9 Al1 Cs1A 47.52(9) 2_657 . ?
F9 Al1 Cs1A 47.53(9) . 2_657 ?
F9 Al1 Cs1A 133.52(10) . . ?
F9 Al1 Cs1A 120.78(9) 2_657 8_465 ?
F9 Al1 Cs1A 133.52(10) 2_657 2_657 ?
F9 Al1 Cs1A 59.37(9) 2_657 7_667 ?
F9 Al1 Cs1A 120.78(9) . 7_667 ?
F9 Al1 Cs1A 59.37(9) . 8_465 ?
F9 Al1 Cs5 56.75(9) . 3_556 ?
F9 Al1 Cs5 56.75(9) 2_657 7_566 ?
F9 Al1 Cs5 122.22(10) 2_657 3_556 ?
F9 Al1 Cs5 122.22(10) . 7_566 ?
F9 Al1 F9 178.96(18) . 2_657 ?
F9 Al1 F10 89.19(13) . 2_657 ?
F9 Al1 F10 90.07(13) . . ?
F9 Al1 F10 89.19(13) 2_657 . ?
F9 Al1 F10 90.08(13) 2_657 2_657 ?
F10 Al1 Cs1A 121.08(9) . . ?
F10 Al1 Cs1A 133.88(9) . 8_465 ?
F10 Al1 Cs1A 133.88(9) 2_657 7_667 ?
F10 Al1 Cs1A 120.82(9) 2_657 . ?
F10 Al1 Cs1A 58.29(9) 2_657 8_465 ?
F10 Al1 Cs1A 58.30(9) . 7_667 ?
F10 Al1 Cs1A 120.82(9) . 2_657 ?
F10 Al1 Cs1A 121.07(9) 2_657 2_657 ?
F10 Al1 Cs5 58.64(9) 2_657 3_556 ?
F10 Al1 Cs5 58.64(9) . 7_566 ?
F10 Al1 Cs5 49.14(9) . 3_556 ?
F10 Al1 Cs5 49.15(9) 2_657 7_566 ?
F10 Al1 F10 90.64(18) 2_657 . ?
F1A Al2 F1A 180.0(15) . 5_667 ?
F1B Al2 F1A 161.6(10) 5_667 . ?
F1B Al2 F1A 18.4(10) . . ?
F1B Al2 F1A 161.6(10) . 5_667 ?
F1B Al2 F1A 18.3(10) 5_667 5_667 ?
F1B Al2 F1B 179.998(10) . 5_667 ?
F1B Al2 F2C 72.0(10) . 2_657 ?
F1B Al2 F2C 72.0(10) 5_667 6_565 ?
F1B Al2 F2C 108.0(10) 5_667 5_667 ?
F1B Al2 F2C 108.0(10) 5_667 2_657 ?
F1B Al2 F2C 108.0(10) . . ?
F1B Al2 F2C 72.0(10) 5_667 . ?
F1B Al2 F2C 108.0(10) . 6_565 ?
F1B Al2 F2C 72.0(10) . 5_667 ?
F2A Al2 F1A 85.4(9) . . ?
F2A Al2 F1A 85.4(9) 5_667 5_667 ?
F2A Al2 F1A 63.9(9) 2_657 5_667 ?
F2A Al2 F1A 94.6(9) 5_667 . ?
F2A Al2 F1A 116.1(9) 6_565 5_667 ?
F2A Al2 F1A 116.1(9) 2_657 . ?
F2A Al2 F1A 94.6(9) . 5_667 ?
F2A Al2 F1A 63.9(9) 6_565 . ?
F2A Al2 F1B 99.7(6) . 5_667 ?
F2A Al2 F1B 99.7(6) 5_667 . ?
F2A Al2 F1B 99.7(6) 6_565 5_667 ?
F2A Al2 F1B 80.3(6) 2_657 5_667 ?
F2A Al2 F1B 80.3(6) 6_565 . ?
F2A Al2 F1B 99.7(6) 2_657 . ?
F2A Al2 F1B 80.3(6) . . ?
F2A Al2 F1B 80.3(6) 5_667 5_667 ?
F2A Al2 F2A 127.3(10) . 6_565 ?
F2A Al2 F2A 180.0 . 5_667 ?
F2A Al2 F2A 127.3(10) 5_667 2_657 ?
F2A Al2 F2A 52.7(10) . 2_657 ?
F2A Al2 F2A 180.0 6_565 2_657 ?
F2A Al2 F2A 52.7(10) 5_667 6_565 ?
F2A Al2 F2C 54.2(7) . . ?
F2A Al2 F2C 125.8(7) 2_657 6_565 ?
F2A Al2 F2C 125.8(7) 6_565 2_657 ?
F2A Al2 F2C 125.8(7) 5_667 . ?
F2A Al2 F2C 93.1(7) . 2_657 ?
F2A Al2 F2C 86.9(7) 6_565 . ?
F2A Al2 F2C 86.9(7) 2_657 5_667 ?
F2A Al2 F2C 93.1(7) 2_657 . ?
F2A Al2 F2C 54.2(7) 5_667 5_667 ?
F2A Al2 F2C 125.8(7) . 5_667 ?
F2A Al2 F2C 86.9(7) 5_667 2_657 ?
F2A Al2 F2C 86.9(7) . 6_565 ?
F2A Al2 F2C 54.2(7) 2_657 2_657 ?
F2A Al2 F2C 93.1(7) 5_667 6_565 ?
F2A Al2 F2C 54.2(7) 6_565 6_565 ?
F2A Al2 F2C 93.1(7) 6_565 5_667 ?
F2C Al2 F1A 89.2(7) 2_657 . ?
F2C Al2 F1A 89.2(7) 6_565 5_667 ?
F2C Al2 F1A 97.6(6) 5_667 5_667 ?
F2C Al2 F1A 97.6(6) . . ?
F2C Al2 F1A 82.4(6) . 5_667 ?
F2C Al2 F1A 90.8(7) 2_657 5_667 ?
F2C Al2 F1A 82.4(6) 5_667 . ?
F2C Al2 F1A 90.8(7) 6_565 . ?
F2C Al2 F2C 145.5(9) 5_667 6_565 ?
F2C Al2 F2C 180.0(8) 6_565 2_657 ?
F2C Al2 F2C 34.5(9) 6_565 . ?
F2C Al2 F2C 145.5(9) 2_657 . ?
F2C Al2 F2C 180.0 5_667 . ?
F2C Al2 F2C 34.5(9) 5_667 2_657 ?
Cs2 Al3 Cs2 180.0 . 5_566 ?
Cs2 Al3 Cs5 95.280(8) 5_566 5_566 ?
Cs2 Al3 Cs5 95.280(8) . . ?
Cs2 Al3 Cs5 84.720(8) 5_566 . ?
Cs2 Al3 Cs5 84.720(8) . 5_566 ?
Cs2 Al3 Cs6 113.416(4) . 4_546 ?
Cs2 Al3 Cs6 113.416(4) 5_566 8_465 ?
Cs2 Al3 Cs6 66.584(4) . 8_465 ?
Cs2 Al3 Cs6 66.584(4) 5_566 4_546 ?
Cs5 Al3 Cs5 180.000(12) . 5_566 ?
Cs5 Al3 Cs6 68.165(4) 5_566 4_546 ?
Cs5 Al3 Cs6 68.165(5) . 8_465 ?
Cs5 Al3 Cs6 111.835(5) 5_566 8_465 ?
Cs5 Al3 Cs6 111.835(5) . 4_546 ?
Cs6 Al3 Cs6 180.0 4_546 8_465 ?
F3 Al3 Cs2 132.47(11) . 5_566 ?
F3 Al3 Cs2 47.53(11) . . ?
F3 Al3 Cs2 132.47(11) 5_566 . ?
F3 Al3 Cs2 47.53(11) 5_566 5_566 ?
F3 Al3 Cs5 132.25(11) 5_566 . ?
F3 Al3 Cs5 47.75(11) 5_566 5_566 ?
F3 Al3 Cs5 132.25(11) . 5_566 ?
F3 Al3 Cs5 47.75(11) . . ?
F3 Al3 Cs6 124.816(4) . 4_546 ?
F3 Al3 Cs6 55.184(4) . 8_465 ?
F3 Al3 Cs6 55.184(5) 5_566 4_546 ?
F3 Al3 Cs6 124.816(5) 5_566 8_465 ?
F3 Al3 F3 180.0 . 5_566 ?
F4 Al3 Cs2 58.23(10) 5_566 5_566 ?
F4 Al3 Cs2 58.23(10) 2_556 5_566 ?
F4 Al3 Cs2 121.77(10) 5_566 . ?
F4 Al3 Cs2 121.77(10) 6_565 5_566 ?
F4 Al3 Cs2 121.77(10) 2_556 . ?
F4 Al3 Cs2 121.77(10) . 5_566 ?
F4 Al3 Cs2 58.23(10) . . ?
F4 Al3 Cs2 58.23(10) 6_565 . ?
F4 Al3 Cs5 58.48(9) 6_565 5_566 ?
F4 Al3 Cs5 121.52(9) 6_565 . ?
F4 Al3 Cs5 121.52(9) 5_566 5_566 ?
F4 Al3 Cs5 121.52(9) 2_556 5_566 ?
F4 Al3 Cs5 121.52(9) . . ?
F4 Al3 Cs5 58.48(9) . 5_566 ?
F4 Al3 Cs5 58.48(9) 5_566 . ?
F4 Al3 Cs5 58.48(9) 2_556 . ?
F4 Al3 Cs6 53.71(9) 5_566 4_546 ?
F4 Al3 Cs6 124.34(10) 2_556 4_546 ?
F4 Al3 Cs6 126.29(9) 5_566 8_465 ?
F4 Al3 Cs6 55.66(10) 2_556 8_465 ?
F4 Al3 Cs6 53.71(9) . 8_465 ?
F4 Al3 Cs6 55.66(10) 6_565 4_546 ?
F4 Al3 Cs6 126.29(9) . 4_546 ?
F4 Al3 Cs6 124.34(10) 6_565 8_465 ?
F4 Al3 F3 90.24(12) 5_566 . ?
F4 Al3 F3 89.76(12) . . ?
F4 Al3 F3 90.24(12) 2_556 . ?
F4 Al3 F3 89.76(12) 6_565 . ?
F4 Al3 F3 90.24(12) 6_565 5_566 ?
F4 Al3 F3 89.76(12) 2_556 5_566 ?
F4 Al3 F3 90.24(12) . 5_566 ?
F4 Al3 F3 89.76(12) 5_566 5_566 ?
F4 Al3 F4 180.0 5_566 . ?
F4 Al3 F4 90.48(19) 2_556 . ?
F4 Al3 F4 90.48(19) 5_566 6_565 ?
F4 Al3 F4 89.52(19) 5_566 2_556 ?
F4 Al3 F4 180.0 6_565 2_556 ?
F4 Al3 F4 89.52(19) 6_565 . ?
Cs1A Al4 Cs1A 170.13(5) 2_656 . ?
Cs1A Al4 Cs1B 4.31(3) 2_656 2_656 ?
Cs1A Al4 Cs1B 173.37(6) . 2_656 ?
Cs1A Al4 Cs1B 173.37(6) 2_656 . ?
Cs1A Al4 Cs1B 4.31(3) . . ?
Cs1A Al4 Cs6 68.11(2) 2_656 . ?
Cs1A Al4 Cs6 68.11(2) . 2_656 ?
Cs1A Al4 Cs6 103.53(3) 2_656 2_656 ?
Cs1A Al4 Cs6 103.53(3) . . ?
Cs1B Al4 Cs1B 177.43(8) . 2_656 ?
Cs6 Al4 Cs1B 69.96(4) . 2_656 ?
Cs6 Al4 Cs1B 107.84(4) . . ?
Cs6 Al4 Cs1B 69.97(4) 2_656 . ?
Cs6 Al4 Cs1B 107.84(4) 2_656 2_656 ?
Cs6 Al4 Cs6 72.42(2) . 2_656 ?
F5 Al4 Cs1A 57.00(8) . 2_656 ?
F5 Al4 Cs1A 131.82(9) 2_656 2_656 ?
F5 Al4 Cs1A 57.00(8) 2_656 . ?
F5 Al4 Cs1A 131.81(9) . . ?
F5 Al4 Cs1B 127.51(9) . . ?
F5 Al4 Cs1B 127.51(9) 2_656 2_656 ?
F5 Al4 Cs1B 54.75(8) 2_656 . ?
F5 Al4 Cs1B 54.75(8) . 2_656 ?
F5 Al4 Cs6 124.59(8) . . ?
F5 Al4 Cs6 125.27(9) 2_656 . ?
F5 Al4 Cs6 125.27(9) . 2_656 ?
F5 Al4 Cs6 124.59(8) 2_656 2_656 ?
F5 Al4 F5 89.59(17) 2_656 . ?
F6 Al4 Cs1A 122.62(9) . 2_656 ?
F6 Al4 Cs1A 122.62(9) 2_656 . ?
F6 Al4 Cs1A 48.66(8) . . ?
F6 Al4 Cs1A 48.66(8) 2_656 2_656 ?
F6 Al4 Cs1B 124.80(9) 2_656 . ?
F6 Al4 Cs1B 52.96(8) 2_656 2_656 ?
F6 Al4 Cs1B 52.96(8) . . ?
F6 Al4 Cs1B 124.79(9) . 2_656 ?
F6 Al4 Cs6 55.61(8) . 2_656 ?
F6 Al4 Cs6 54.90(8) 2_656 2_656 ?
F6 Al4 Cs6 54.90(8) . . ?
F6 Al4 Cs6 55.61(8) 2_656 . ?
F6 Al4 F5 90.15(11) . 2_656 ?
F6 Al4 F5 179.00(12) . . ?
F6 Al4 F5 90.15(11) 2_656 . ?
F6 Al4 F5 179.00(12) 2_656 2_656 ?
F6 Al4 F6 90.12(16) . 2_656 ?
F7 Al4 Cs1A 59.05(9) 2_656 2_656 ?
F7 Al4 Cs1A 59.05(9) . . ?
F7 Al4 Cs1A 121.07(9) . 2_656 ?
F7 Al4 Cs1A 121.07(9) 2_656 . ?
F7 Al4 Cs1B 56.59(10) 2_656 2_656 ?
F7 Al4 Cs1B 56.59(10) . . ?
F7 Al4 Cs1B 123.44(10) . 2_656 ?
F7 Al4 Cs1B 123.44(10) 2_656 . ?
F7 Al4 Cs6 126.84(10) . . ?
F7 Al4 Cs6 54.42(9) . 2_656 ?
F7 Al4 Cs6 54.42(9) 2_656 . ?
F7 Al4 Cs6 126.84(10) 2_656 2_656 ?
F7 Al4 F5 90.10(12) . . ?
F7 Al4 F5 90.10(12) 2_656 2_656 ?
F7 Al4 F5 89.01(12) 2_656 . ?
F7 Al4 F5 89.00(12) . 2_656 ?
F7 Al4 F6 90.03(12) . 2_656 ?
F7 Al4 F6 90.86(12) . . ?
F7 Al4 F6 90.86(12) 2_656 2_656 ?
F7 Al4 F6 90.03(12) 2_656 . ?
F7 Al4 F7 178.74(19) 2_656 . ?
Cs1B F1A Cs4 175.7(7) 6_565 . ?
Cs2 F1A Cs1B 103.3(6) . 6_565 ?
Cs2 F1A Cs3 83.7(5) . 7_667 ?
Cs2 F1A Cs4 82.6(6) . 6_565 ?
Cs2 F1A Cs4 72.4(5) . . ?
Cs3 F1A Cs1B 68.1(4) 7_667 6_565 ?
Cs3 F1A Cs4 129.0(7) 7_667 6_565 ?
Cs3 F1A Cs4 110.2(7) 7_667 . ?
Cs4 F1A Cs1B 67.9(5) 6_565 6_565 ?
Cs4 F1A Cs4 111.7(5) 6_565 . ?
Al2 F1A Cs1B 97.7(9) . 6_565 ?
Al2 F1A Cs2 158.9(12) . . ?
Al2 F1A Cs3 103.3(8) . 7_667 ?
Al2 F1A Cs4 106.9(8) . 6_565 ?
Al2 F1A Cs4 86.5(8) . . ?
F1A F1A Cs1B 149.5(3) 6_565 6_565 ?
F1A F1A Cs2 82.7(5) 6_565 . ?
F1A F1A Cs3 83.1(5) 6_565 7_667 ?
F1A F1A Cs4 142.4(4) 6_565 6_565 ?
F1A F1A Cs4 30.7(3) 6_565 . ?
F1A F1A Al2 78.5(8) 6_565 . ?
F1B F1A Cs1B 159(4) . 6_565 ?
F1B F1A Cs2 83(6) . . ?
F1B F1A Cs3 133(4) . 7_667 ?
F1B F1A Cs4 24(4) . . ?
F1B F1A Cs4 93(4) . 6_565 ?
F1B F1A Al2 78(6) . . ?
F1B F1A F1A 51(4) . 6_565 ?
Cs2 F1B Cs3 76.6(7) . 7_667 ?
Cs2 F1B Cs4 81.3(8) . 6_565 ?
Cs2 F1B Cs4 81.3(8) . . ?
Cs4 F1B Cs3 113.0(5) 6_565 7_667 ?
Cs4 F1B Cs3 113.0(5) . 7_667 ?
Cs4 F1B Cs4 124.7(12) 6_565 . ?
Al2 F1B Cs2 166.2(16) . . ?
Al2 F1B Cs3 89.7(13) . 7_667 ?
Al2 F1B Cs4 104.6(8) . . ?
Al2 F1B Cs4 104.6(8) . 6_565 ?
F1A F1B Cs2 85(6) 6_565 . ?
F1A F1B Cs2 85(6) . . ?
F1A F1B Cs3 40(4) . 7_667 ?
F1A F1B Cs3 40(4) 6_565 7_667 ?
F1A F1B Cs4 76(4) 6_565 . ?
F1A F1B Cs4 76(4) . 6_565 ?
F1A F1B Cs4 152(4) . . ?
F1A F1B Cs4 152(4) 6_565 6_565 ?
F1A F1B Al2 84(7) . . ?
F1A F1B Al2 84(7) 6_565 . ?
F1A F1B F1A 78(7) 6_565 . ?
Cs1A F2A Cs1B 101.0(4) . 2_657 ?
Cs1A F2A Cs3 76.0(3) . 7_667 ?
Cs1A F2A Cs4 85.0(3) . 2_657 ?
Cs1A F2A Cs4 80.3(4) . . ?
Cs1B F2A Cs1A 0.44(9) . . ?
Cs1B F2A Cs1B 101.4(5) . 2_657 ?
Cs1B F2A Cs3 75.6(3) . 7_667 ?
Cs1B F2A Cs4 85.3(3) . 2_657 ?
Cs1B F2A Cs4 80.4(4) . . ?
Cs3 F2A Cs1B 176.6(5) 7_667 2_657 ?
Cs4 F2A Cs1B 65.4(3) 2_657 2_657 ?
Cs4 F2A Cs1B 67.1(3) . 2_657 ?
Cs4 F2A Cs3 115.6(4) 2_657 7_667 ?
Cs4 F2A Cs3 110.6(4) . 7_667 ?
Cs4 F2A Cs4 126.0(5) 2_657 . ?
Al2 F2A Cs1A 164.6(7) . . ?
Al2 F2A Cs1B 164.2(8) . . ?
Al2 F2A Cs1B 93.8(5) . 2_657 ?
Al2 F2A Cs3 89.0(6) . 7_667 ?
Al2 F2A Cs4 102.1(5) . . ?
Al2 F2A Cs4 105.1(6) . 2_657 ?
F2A F2A Cs1A 130.8(4) 2_657 . ?
F2A F2A Cs1B 131.2(4) 2_657 . ?
F2A F2A Cs1B 30.4(2) 2_657 2_657 ?
F2A F2A Cs3 152.2(3) 2_657 7_667 ?
F2A F2A Cs4 78.7(10) 2_657 2_657 ?
F2A F2A Cs4 73.0(10) 2_657 . ?
F2A F2A Al2 63.6(5) 2_657 . ?
F2A F2A F2C 108.0(11) 2_657 . ?
F2B F2A Cs1A 90.0(15) . . ?
F2B F2A Cs1B 89.9(15) . . ?
F2B F2A Cs1B 132.3(17) . 2_657 ?
F2B F2A Cs3 49.9(14) . 7_667 ?
F2B F2A Cs4 160.1(18) . . ?
F2B F2A Cs4 69.7(14) . 2_657 ?
F2B F2A Al2 82.9(17) . . ?
F2B F2A F2A 125(2) . 2_657 ?
F2B F2A F2C 20.2(13) . . ?
F2C F2A Cs1A 110.2(7) . . ?
F2C F2A Cs1B 123.5(8) . 2_657 ?
F2C F2A Cs1B 110.0(7) . . ?
F2C F2A Cs3 59.6(6) . 7_667 ?
F2C F2A Cs4 161.2(7) . . ?
F2C F2A Cs4 71.7(6) . 2_657 ?
F2C F2A Al2 63.6(6) . . ?
Cs1A F2B Cs3 82.0(3) . 7_667 ?
Cs1A F2B Cs4 86.5(3) . 2_657 ?
Cs1A F2B Cs5 108.1(3) . 1_656 ?
Cs1B F2B Cs1A 1.67(8) . . ?
Cs1B F2B Cs3 82.6(3) . 7_667 ?
Cs1B F2B Cs4 87.1(3) . 2_657 ?
Cs1B F2B Cs5 109.7(3) . 1_656 ?
Cs3 F2B Cs5 72.9(3) 7_667 1_656 ?
Cs4 F2B Cs3 138.2(4) 2_657 7_667 ?
Cs4 F2B Cs5 72.8(3) 2_657 1_656 ?
Al2 F2B Cs1A 144.2(7) . . ?
Al2 F2B Cs1B 142.5(7) . . ?
Al2 F2B Cs3 102.5(5) . 7_667 ?
Al2 F2B Cs4 110.0(5) . 2_657 ?
Al2 F2B Cs5 107.2(6) . 1_656 ?
F2A F2B Cs1A 74.5(16) . . ?
F2A F2B Cs1B 72.9(16) . . ?
F2A F2B Cs3 118.8(16) . 7_667 ?
F2A F2B Cs4 96.2(15) . 2_657 ?
F2A F2B Cs5 168.3(17) . 1_656 ?
F2A F2B Al2 72.3(13) . . ?
F2A F2B F2C 143(2) . . ?
F2C F2B Cs1A 142.4(12) . . ?
F2C F2B Cs1B 144.0(13) . . ?
F2C F2B Cs3 79.2(12) . 7_667 ?
F2C F2B Cs4 86.3(11) . 2_657 ?
F2C F2B Cs5 35.0(9) . 1_656 ?
F2C F2B Al2 72.2(10) . . ?
Cs1B F2C Cs1A 2.01(6) . . ?
Cs3 F2C Cs1A 70.4(2) 7_667 . ?
Cs3 F2C Cs1B 70.9(3) 7_667 . ?
Cs3 F2C Cs4 135.7(3) 7_667 2_657 ?
Cs4 F2C Cs1A 72.8(2) 2_657 . ?
Cs4 F2C Cs1B 73.1(3) 2_657 . ?
Cs5 F2C Cs1A 105.9(3) 1_656 . ?
Cs5 F2C Cs1B 107.9(3) 1_656 . ?
Cs5 F2C Cs3 84.7(4) 1_656 7_667 ?
Cs5 F2C Cs4 82.6(3) 1_656 2_657 ?
Al2 F2C Cs1A 106.3(6) . . ?
Al2 F2C Cs1B 104.3(6) . . ?
Al2 F2C Cs3 105.0(5) . 7_667 ?
Al2 F2C Cs4 108.2(6) . 2_657 ?
Al2 F2C Cs5 147.8(6) . 1_656 ?
F2A F2C Cs1A 45.5(5) . . ?
F2A F2C Cs1B 43.5(5) . . ?
F2A F2C Cs3 92.5(7) . 7_667 ?
F2A F2C Cs4 78.2(7) . 2_657 ?
F2A F2C Cs5 149.4(7) . 1_656 ?
F2A F2C Al2 62.1(6) . . ?
F2B F2C Cs1A 28.8(9) . . ?
F2B F2C Cs1B 26.8(9) . . ?
F2B F2C Cs3 83.0(11) . 7_667 ?
F2B F2C Cs4 76.1(10) . 2_657 ?
F2B F2C Cs5 134.0(11) . 1_656 ?
F2B F2C Al2 78.1(12) . . ?
F2B F2C F2A 16.8(10) . . ?
F2B F2C F2C 140.7(10) . 6_565 ?
F2C F2C Cs1A 148.91(19) 6_565 . ?
F2C F2C Cs1B 148.8(2) 6_565 . ?
F2C F2C Cs3 79.8(2) 6_565 7_667 ?
F2C F2C Cs4 137.9(2) 6_565 2_657 ?
F2C F2C Cs5 79.1(2) 6_565 1_656 ?
F2C F2C Al2 72.8(4) 6_565 . ?
F2C F2C F2A 130.5(5) 6_565 . ?
Cs2 F3 Cs3 73.87(7) . 3_444 ?
Cs2 F3 Cs5 150.72(13) . . ?
Cs2 F3 Cs6 86.99(6) . 8_465 ?
Cs2 F3 Cs6 86.99(6) . 3_445 ?
Cs5 F3 Cs3 76.85(8) . 3_444 ?
Cs5 F3 Cs6 89.15(6) . 3_445 ?
Cs5 F3 Cs6 89.15(6) . 8_465 ?
Cs6 F3 Cs3 82.31(6) 8_465 3_444 ?
Cs6 F3 Cs3 82.31(6) 3_445 3_444 ?
Cs6 F3 Cs6 164.51(12) 8_465 3_445 ?
Al3 F3 Cs2 104.65(15) . . ?
Al3 F3 Cs3 178.52(17) . 3_444 ?
Al3 F3 Cs5 104.62(14) . . ?
Al3 F3 Cs6 97.66(6) . 8_465 ?
Al3 F3 Cs6 97.66(6) . 3_445 ?
Cs2 F4 Cs5 104.37(8) . 5_566 ?
Cs2 F4 Cs6 165.98(9) . 7_566 ?
Cs2 F4 Cs6 82.32(7) . 8_465 ?
Cs4 F4 Cs2 80.04(7) . . ?
Cs4 F4 Cs5 78.66(7) . 5_566 ?
Cs4 F4 Cs6 90.21(7) . 7_566 ?
Cs4 F4 Cs6 89.22(7) . 8_465 ?
Cs5 F4 Cs6 83.31(7) 5_566 7_566 ?
Cs6 F4 Cs5 164.75(9) 8_465 5_566 ?
Cs6 F4 Cs6 87.54(7) 8_465 7_566 ?
Al3 F4 Cs2 93.55(11) . . ?
Al3 F4 Cs4 168.18(15) . . ?
Al3 F4 Cs5 93.50(11) . 5_566 ?
Al3 F4 Cs6 99.82(11) . 8_465 ?
Al3 F4 Cs6 97.71(11) . 7_566 ?
Cs1A F5 Cs1B 5.43(3) 2_656 2_656 ?
Cs1A F5 Cs2 105.76(8) 2_656 5_666 ?
Cs1A F5 Cs6 84.33(6) 2_656 8_465 ?
Cs1B F5 Cs2 101.04(8) 2_656 5_666 ?
Cs1B F5 Cs6 88.28(7) 2_656 8_465 ?
Cs2 F5 Cs1A 157.81(8) . 2_656 ?
Cs2 F5 Cs1B 155.68(9) . 2_656 ?
Cs2 F5 Cs2 80.13(6) . 5_666 ?
Cs2 F5 Cs6 85.67(7) . 8_465 ?
Cs3 F5 Cs1A 78.66(6) 3_444 2_656 ?
Cs3 F5 Cs1B 74.69(7) 3_444 2_656 ?
Cs3 F5 Cs2 82.11(6) 3_444 . ?
Cs3 F5 Cs2 76.52(6) 3_444 5_666 ?
Cs3 F5 Cs6 92.84(6) 3_444 8_465 ?
Cs6 F5 Cs2 163.25(8) 8_465 5_666 ?
Al4 F5 Cs1A 94.36(9) . 2_656 ?
Al4 F5 Cs1B 97.51(10) . 2_656 ?
Al4 F5 Cs2 94.44(10) . 5_666 ?
Al4 F5 Cs2 106.65(10) . . ?
Al4 F5 Cs3 166.39(14) . 3_444 ?
Al4 F5 Cs6 98.12(10) . 8_465 ?
Cs1A F6 Cs1B 4.04(6) . . ?
Cs1A F6 Cs4 76.14(6) . 8_565 ?
Cs1A F6 Cs6 87.68(6) . 7_666 ?
Cs1A F6 Cs6 88.53(7) . 2_656 ?
Cs1A F6 Cs6 159.11(8) . . ?
Cs1B F6 Cs4 80.18(7) . 8_565 ?
Cs1B F6 Cs6 88.36(8) . 7_666 ?
Cs1B F6 Cs6 163.15(9) . . ?
Cs1B F6 Cs6 88.73(8) . 2_656 ?
Cs4 F6 Cs6 82.27(5) 8_565 7_666 ?
Cs6 F6 Cs4 83.03(5) . 8_565 ?
Cs6 F6 Cs4 84.65(5) 2_656 8_565 ?
Cs6 F6 Cs6 88.00(6) . 7_666 ?
Cs6 F6 Cs6 91.11(6) . 2_656 ?
Cs6 F6 Cs6 166.90(7) 2_656 7_666 ?
Al4 F6 Cs1A 103.63(10) . . ?
Al4 F6 Cs1B 99.60(10) . . ?
Al4 F6 Cs4 178.92(12) . 8_565 ?
Al4 F6 Cs6 97.16(9) . . ?
Al4 F6 Cs6 96.67(9) . 7_666 ?
Al4 F6 Cs6 96.41(9) . 2_656 ?
Cs1A F7 Cs1B 5.33(3) . . ?
Cs1A F7 Cs2 103.64(8) . . ?
Cs1B F7 Cs2 99.20(8) . . ?
Cs4 F7 Cs1A 79.30(6) . . ?
Cs4 F7 Cs1B 75.24(7) . . ?
Cs4 F7 Cs2 77.21(6) . . ?
Cs4 F7 Cs6 92.42(7) . 2_656 ?
Cs4 F7 Cs6 89.17(7) . 8_465 ?
Cs6 F7 Cs1A 83.64(7) 2_656 . ?
Cs6 F7 Cs1A 166.42(8) 8_465 . ?
Cs6 F7 Cs1B 87.33(8) 2_656 . ?
Cs6 F7 Cs1B 164.00(9) 8_465 . ?
Cs6 F7 Cs2 80.47(6) 8_465 . ?
Cs6 F7 Cs2 165.76(8) 2_656 . ?
Cs6 F7 Cs6 89.76(7) 2_656 8_465 ?
Al4 F7 Cs1A 92.65(10) . . ?
Al4 F7 Cs1B 95.96(11) . . ?
Al4 F7 Cs2 93.97(10) . . ?
Al4 F7 Cs4 166.13(14) . . ?
Al4 F7 Cs6 100.02(10) . 8_465 ?
Al4 F7 Cs6 97.94(11) . 2_656 ?
Cs1A F8 Cs1A 82.18(7) 8_465 2_657 ?
Cs1A F8 Cs1A 158.02(9) 8_465 . ?
Cs1A F8 Cs1A 105.88(8) . 2_657 ?
Cs1A F8 Cs1B 101.36(9) . 2_657 ?
Cs1A F8 Cs1B 156.42(9) 8_465 . ?
Cs1A F8 Cs1B 4.30(5) 8_465 8_465 ?
Cs1A F8 Cs1B 85.44(8) 8_465 2_657 ?
Cs1A F8 Cs6 87.22(7) 8_465 2_656 ?
Cs1A F8 Cs6 165.86(8) 2_657 2_656 ?
Cs1A F8 Cs6 80.93(7) . 2_656 ?
Cs1B F8 Cs1A 5.33(3) . . ?
Cs1B F8 Cs1A 162.00(9) 8_465 . ?
Cs1B F8 Cs1A 81.95(8) 8_465 2_657 ?
Cs1B F8 Cs1A 5.24(3) 2_657 2_657 ?
Cs1B F8 Cs1A 101.27(9) . 2_657 ?
Cs1B F8 Cs1B 85.52(9) 8_465 2_657 ?
Cs1B F8 Cs1B 96.63(9) . 2_657 ?
Cs1B F8 Cs1B 160.68(11) 8_465 . ?
Cs1B F8 Cs6 164.64(9) 2_657 2_656 ?
Cs1B F8 Cs6 88.17(8) 8_465 2_656 ?
Cs1B F8 Cs6 84.83(8) . 2_656 ?
Cs4 F8 Cs1A 82.46(7) . 8_465 ?
Cs4 F8 Cs1A 80.96(7) . 2_657 ?
Cs4 F8 Cs1A 78.79(6) . . ?
Cs4 F8 Cs1B 77.26(7) . 2_657 ?
Cs4 F8 Cs1B 86.68(8) . 8_465 ?
Cs4 F8 Cs1B 75.16(7) . . ?
Cs4 F8 Cs6 88.41(6) . 2_656 ?
Al1 F8 Cs1A 94.32(10) . . ?
Al1 F8 Cs1A 92.64(10) . 2_657 ?
Al1 F8 Cs1A 105.87(11) . 8_465 ?
Al1 F8 Cs1B 95.71(11) . 2_657 ?
Al1 F8 Cs1B 97.32(11) . . ?
Al1 F8 Cs1B 101.58(11) . 8_465 ?
Al1 F8 Cs4 168.82(14) . . ?
Al1 F8 Cs6 99.27(10) . 2_656 ?
Cs1A F9 Cs1A 82.07(7) 2_657 8_465 ?
Cs1A F9 Cs1B 85.14(8) 2_657 8_465 ?
Cs1A F9 Cs1B 4.48(5) 2_657 2_657 ?
Cs1A F9 Cs5 157.65(9) 2_657 3_556 ?
Cs1A F9 Cs6 85.78(7) 2_657 1_556 ?
Cs1A F9 Cs6 164.81(8) 8_465 1_556 ?
Cs1B F9 Cs1A 5.23(3) 8_465 8_465 ?
Cs1B F9 Cs1A 82.01(8) 2_657 8_465 ?
Cs1B F9 Cs1B 85.41(9) 2_657 8_465 ?
Cs1B F9 Cs5 161.84(9) 2_657 3_556 ?
Cs1B F9 Cs6 163.83(9) 8_465 1_556 ?
Cs1B F9 Cs6 86.58(8) 2_657 1_556 ?
Cs4 F9 Cs1A 82.28(6) 7_567 2_657 ?
Cs4 F9 Cs1A 80.67(7) 7_567 8_465 ?
Cs4 F9 Cs1B 76.82(7) 7_567 8_465 ?
Cs4 F9 Cs1B 86.71(7) 7_567 2_657 ?
Cs4 F9 Cs5 78.00(6) 7_567 3_556 ?
Cs4 F9 Cs6 88.72(7) 7_567 1_556 ?
Cs5 F9 Cs1A 104.78(8) 3_556 8_465 ?
Cs5 F9 Cs1B 100.35(8) 3_556 8_465 ?
Cs5 F9 Cs6 83.38(6) 3_556 1_556 ?
Al1 F9 Cs1A 105.55(11) . 2_657 ?
Al1 F9 Cs1A 92.69(10) . 8_465 ?
Al1 F9 Cs1B 95.97(11) . 8_465 ?
Al1 F9 Cs1B 101.07(11) . 2_657 ?
Al1 F9 Cs4 169.05(14) . 7_567 ?
Al1 F9 Cs5 95.48(10) . 3_556 ?
Al1 F9 Cs6 99.34(11) . 1_556 ?
Cs1A F10 Cs5 104.21(8) 7_667 7_566 ?
Cs1A F10 Cs6 81.48(6) 7_667 1_556 ?
Cs1B F10 Cs1A 5.28(3) 7_667 7_667 ?
Cs1B F10 Cs5 99.59(8) 7_667 7_566 ?
Cs1B F10 Cs6 85.44(7) 7_667 1_556 ?
Cs3 F10 Cs1A 77.80(6) . 7_667 ?
Cs3 F10 Cs1B 74.06(7) . 7_667 ?
Cs3 F10 Cs5 86.69(6) . 3_556 ?
Cs3 F10 Cs5 77.73(6) . 7_566 ?
Cs3 F10 Cs6 91.96(7) . 1_556 ?
Cs5 F10 Cs1A 159.99(9) 3_556 7_667 ?
Cs5 F10 Cs1B 158.84(9) 3_556 7_667 ?
Cs5 F10 Cs5 84.45(7) 3_556 7_566 ?
Cs5 F10 Cs6 166.65(8) 7_566 1_556 ?
Cs5 F10 Cs6 86.54(7) 3_556 1_556 ?
Al1 F10 Cs1A 93.78(10) . 7_667 ?
Al1 F10 Cs1B 96.71(11) . 7_667 ?
Al1 F10 Cs3 165.74(14) . . ?
Al1 F10 Cs5 93.49(10) . 7_566 ?
Al1 F10 Cs5 103.80(11) . 3_556 ?
Al1 F10 Cs6 98.22(10) . 1_556 ?
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
Cs1A F2A 2.810(12) . ?
Cs1A F2B 2.916(13) . ?
Cs1A F2C 3.696(12) . ?
Cs1A F5 3.200(3) 2_656 ?
Cs1A F6 2.939(3) . ?
Cs1A F7 3.266(3) . ?
Cs1A F8 3.271(3) . ?
Cs1A F8 3.322(3) 2_657 ?
Cs1A F8 2.954(3) 8_565 ?
Cs1A F9 2.953(3) 2_657 ?
Cs1A F9 3.330(3) 8_565 ?
Cs1A F10 3.296(3) 7_667 ?
Cs1B F2A 2.507(12) . ?
Cs1B F2B 2.623(13) . ?
Cs1B F2C 3.419(12) . ?
Cs1B F5 3.209(4) 2_656 ?
Cs1B F6 3.154(3) . ?
Cs1B F7 3.270(4) . ?
Cs1B F8 3.153(4) 8_565 ?
Cs1B F8 3.249(4) . ?
Cs1B F8 3.297(4) 2_657 ?
Cs1B F9 3.314(4) 8_565 ?
Cs1B F9 3.141(3) 2_657 ?
Cs1B F10 3.292(4) 7_667 ?
Cs2 F1A 2.84(2) . ?
Cs2 F1A 2.84(2) 6_565 ?
Cs2 F1B 2.83(4) . ?
Cs2 F3 2.902(4) . ?
Cs2 F4 3.242(3) . ?
Cs2 F4 3.242(3) 6_565 ?
Cs2 F5 3.010(2) . ?
Cs2 F5 3.010(2) 6_565 ?
Cs2 F5 3.356(3) 2_656 ?
Cs2 F5 3.356(3) 5_666 ?
Cs2 F7 3.385(3) 6_565 ?
Cs2 F7 3.385(3) . ?
Cs3 F1A 3.019(15) 7_667 ?
Cs3 F1A 3.019(15) 4_657 ?
Cs3 F1B 3.44(3) 7_667 ?
Cs3 F2A 3.460(15) 4_657 ?
Cs3 F2B 3.018(12) 7_667 ?
Cs3 F2B 3.018(12) 4_657 ?
Cs3 F2C 2.986(12) 7_667 ?
Cs3 F2C 2.986(12) 4_657 ?
Cs3 F5 2.936(2) 8_566 ?
Cs3 F5 2.936(2) 3_556 ?
Cs3 F10 2.884(2) 6_575 ?
Cs3 F10 2.884(2) . ?
Cs4 F1A 3.09(2) 6_565 ?
Cs4 F1A 3.69(2) . ?
Cs4 F1B 3.172(17) . ?
Cs4 F2A 3.246(17) . ?
Cs4 F2A 3.167(13) 2_657 ?
Cs4 F2B 2.987(11) 2_657 ?
Cs4 F2C 3.071(12) 2_657 ?
Cs4 F4 2.829(2) . ?
Cs4 F6 3.290(2) 8_465 ?
Cs4 F7 2.857(2) . ?
Cs4 F8 2.889(2) . ?
Cs4 F9 2.900(2) 7_567 ?
Cs5 F2B 3.514(14) 6_464 ?
Cs5 F2C 2.803(14) 1_454 ?
Cs5 F2C 2.803(14) 6_464 ?
Cs5 F3 2.931(4) . ?
Cs5 F4 3.272(3) 5_566 ?
Cs5 F4 3.272(3) 2_556 ?
Cs5 F9 3.254(3) 3_444 ?
Cs5 F9 3.254(3) 8_464 ?
Cs5 F10 3.016(3) 3_444 ?
Cs5 F10 3.016(3) 8_464 ?
Cs5 F10 3.313(3) 4_546 ?
Cs5 F10 3.313(3) 7_566 ?
Cs6 F3 3.3025(5) 3 ?
Cs6 F4 3.322(3) 7_566 ?
Cs6 F4 3.261(3) 8_565 ?
Cs6 F5 3.278(3) 8_565 ?
Cs6 F6 3.178(2) . ?
Cs6 F6 3.201(3) 2_656 ?
Cs6 F6 3.327(3) 7_666 ?
Cs6 F7 3.166(3) 2_656 ?
Cs6 F7 3.239(3) 8_565 ?
Cs6 F8 3.338(3) 2_656 ?
Cs6 F9 3.336(3) 1_554 ?
Cs6 F10 3.367(3) 1_554 ?
Al1 F8 1.812(2) 2_657 ?
Al1 F8 1.812(2) . ?
Al1 F9 1.813(2) . ?
Al1 F9 1.813(2) 2_657 ?
Al1 F10 1.814(2) . ?
Al1 F10 1.814(2) 2_657 ?
Al2 F1A 1.81(2) 5_667 ?
Al2 F1A 1.81(2) . ?
Al2 F1B 1.78(4) 5_667 ?
Al2 F1B 1.78(4) . ?
Al2 F2A 1.765(12) 6_565 ?
Al2 F2A 1.765(12) . ?
Al2 F2A 1.765(12) 2_657 ?
Al2 F2A 1.765(12) 5_667 ?
Al2 F2C 1.789(11) 2_657 ?
Al2 F2C 1.789(11) 6_565 ?
Al2 F2C 1.789(11) . ?
Al2 F2C 1.789(11) 5_667 ?
Al3 F3 1.836(3) 5_566 ?
Al3 F3 1.836(3) . ?
Al3 F4 1.803(2) . ?
Al3 F4 1.803(2) 2_556 ?
Al3 F4 1.803(2) 5_566 ?
Al3 F4 1.803(2) 6_565 ?
Al4 F5 1.829(2) . ?
Al4 F5 1.829(2) 2_656 ?
Al4 F6 1.820(2) . ?
Al4 F6 1.820(2) 2_656 ?
Al4 F7 1.805(2) 2_656 ?
Al4 F7 1.805(2) . ?
F1A F1A 0.72(5) 6_565 ?
F1A F1B 0.57(3) . ?
F2A F2A 1.57(3) 2_657 ?
F2A F2B 0.778(18) . ?
F2A F2C 1.62(2) . ?
F2B F2C 0.930(17) . ?
F2C F2C 1.06(2) 6_565 ?
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.9415(13)
2 0.0585(13)
