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#$Date: 2016-03-23 21:04:08 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179438 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/35/4333517.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_4333517
loop_
_publ_author_name
'Kazuhiko Matsumoto'
'Takaaki Oka'
'Toshiyuki Nohira'
'Rika Hagiwara'
_publ_contact_author_address
;
Graduate School of Energy Science, Kyoto University
Yoshida, Sakyo-ku, Kyoto 606-8501, Japan
;
_publ_contact_author_email       k-matsumoto@energy.kyoto-u.ac.jp
_publ_contact_author_fax         81-75-753-4817
_publ_contact_author_name        'Kazuhiko Matsumoto'
_publ_contact_author_phone       81-75-753-4817
_publ_section_title
;
 Polymorphism of Alkali Bis(fluorosulfonyl)amides (M[N(SO2F)2], M = Na, K,
 and Cs)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              568
_journal_page_last               576
_journal_paper_doi               10.1021/ic3010486
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety
;
(Cs +), (N(SO2F)2 -)
;
_chemical_formula_sum            'Cs F2 N O4 S2'
_chemical_formula_weight         313.04
_chemical_name_common            Cs[N(SO2F)2]
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 89.398(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.7505(4)
_cell_length_b                   8.7347(5)
_cell_length_c                   10.0852(6)
_cell_measurement_reflns_used    6331
_cell_measurement_temperature    298
_cell_measurement_theta_max      54.93
_cell_measurement_theta_min      6.17
_cell_volume                     682.71(7)
_computing_cell_refinement       'RAPID AUTO 2.40 (Rigaku 2006)'
_computing_data_collection       'Rigaku R-AXIS Rapid-II'
_computing_data_reduction        'RAPID AUTO 2.40 (Rigaku 2006)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altmare et al., 1994)'
_diffrn_ambient_temperature      298
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku R-AXIS RapidII'
_diffrn_measurement_method       'imaging plate'
_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  0.0508
_diffrn_reflns_av_sigmaI/netI    0.0427
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6438
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    6.033
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.420
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'RAPID AUTO 2.40 (Rigaku 2006)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.046
_exptl_crystal_description       chunk
_exptl_crystal_F_000             576
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.225
_refine_diff_density_min         -2.030
_refine_diff_density_rms         0.208
_refine_ls_extinction_coef       0.0268(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     93
_refine_ls_number_reflns         1554
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0372
_refine_ls_R_factor_gt           0.0356
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0541P)²+0.3447P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0865
_refine_ls_wR_factor_ref         0.0880
_reflns_number_gt                1444
_reflns_number_total             1554
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic3010486_si_001_01.cif
_cod_data_source_block           Cs[N(SO2F)2]_I-298K
_cod_database_code               4333517
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Cs1 Cs 0.28666(3) 0.15522(3) 0.39467(3) 0.04248(17) Uani 1 1 d . .
S1 S 0.74552(14) 0.33620(10) 0.51363(11) 0.0413(3) Uani 1 1 d . .
S2 S 0.69045(14) 0.48318(13) 0.27735(10) 0.0466(3) Uani 1 1 d . .
O1 O 0.7539(5) 0.4715(4) 0.5914(3) 0.0584(8) Uani 1 1 d . .
F2A F 0.8694(4) 0.4794(4) 0.2333(3) 0.0672(12) Uani 0.37(5) 1 d P 1
O3A O 0.6640(6) 0.6328(3) 0.3451(4) 0.0726(13) Uani 0.37(5) 1 d P 1
O3B O 0.8694(4) 0.4794(4) 0.2333(3) 0.0672(12) Uani 0.63(5) 1 d P 2
F2B F 0.6640(6) 0.6328(3) 0.3451(4) 0.0726(13) Uani 0.63(5) 1 d P 2
F1 F 0.9351(4) 0.3024(5) 0.4761(4) 0.0776(10) Uani 1 1 d . .
O2 O 0.6820(5) 0.2033(5) 0.5783(4) 0.0682(10) Uani 1 1 d . .
O4 O 0.5748(5) 0.4699(5) 0.1712(4) 0.0746(11) Uani 1 1 d . .
N1 N 0.6513(5) 0.3528(3) 0.3797(4) 0.0390(7) 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
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
Cs Cs -0.3680 2.1192 '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
F1 Cs1 O2 117.07(10) 1_455 3_656
F1 Cs1 F2B 70.16(11) 1_455 3_666
O2 Cs1 F2B 119.20(10) 3_656 3_666
F1 Cs1 O3A 70.16(11) 1_455 3_666
O2 Cs1 O3A 119.20(10) 3_656 3_666
F2B Cs1 O3A 0.00(8) 3_666 3_666
F1 Cs1 O1 108.09(10) 1_455 4_565
O2 Cs1 O1 75.59(10) 3_656 4_565
F2B Cs1 O1 164.62(9) 3_666 4_565
O3A Cs1 O1 164.62(9) 3_666 4_565
F1 Cs1 O1 59.67(11) 1_455 3_666
O2 Cs1 O1 172.50(10) 3_656 3_666
F2B Cs1 O1 53.74(8) 3_666 3_666
O3A Cs1 O1 53.74(8) 3_666 3_666
O1 Cs1 O1 111.66(8) 4_565 3_666
F1 Cs1 O4 60.99(12) 1_455 2_545
O2 Cs1 O4 66.27(12) 3_656 2_545
F2B Cs1 O4 123.36(11) 3_666 2_545
O3A Cs1 O4 123.36(11) 3_666 2_545
O1 Cs1 O4 64.64(10) 4_565 2_545
O1 Cs1 O4 114.47(10) 3_666 2_545
F1 Cs1 N1 122.70(10) 1_455 .
O2 Cs1 N1 117.06(9) 3_656 .
F2B Cs1 N1 68.36(10) 3_666 .
O3A Cs1 N1 68.36(10) 3_666 .
O1 Cs1 N1 102.04(10) 4_565 .
O1 Cs1 N1 64.23(9) 3_666 .
O4 Cs1 N1 165.73(9) 2_545 .
F1 Cs1 O3B 171.24(10) 1_455 2_645
O2 Cs1 O3B 60.85(9) 3_656 2_645
F2B Cs1 O3B 118.52(10) 3_666 2_645
O3A Cs1 O3B 118.52(10) 3_666 2_645
O1 Cs1 O3B 63.26(10) 4_565 2_645
O1 Cs1 O3B 123.50(9) 3_666 2_645
O4 Cs1 O3B 111.91(10) 2_545 2_645
N1 Cs1 O3B 62.80(8) . 2_645
F1 Cs1 F2A 171.24(10) 1_455 2_645
O2 Cs1 F2A 60.85(9) 3_656 2_645
F2B Cs1 F2A 118.52(10) 3_666 2_645
O3A Cs1 F2A 118.52(10) 3_666 2_645
O1 Cs1 F2A 63.26(10) 4_565 2_645
O1 Cs1 F2A 123.50(9) 3_666 2_645
O4 Cs1 F2A 111.91(10) 2_545 2_645
N1 Cs1 F2A 62.80(8) . 2_645
O3B Cs1 F2A 0.00(14) 2_645 2_645
F1 Cs1 O4 60.21(10) 1_455 4_566
O2 Cs1 O4 69.32(10) 3_656 4_566
F2B Cs1 O4 65.11(9) 3_666 4_566
O3A Cs1 O4 65.11(9) 3_666 4_566
O1 Cs1 O4 128.13(9) 4_565 4_566
O1 Cs1 O4 103.83(10) 3_666 4_566
O4 Cs1 O4 66.74(9) 2_545 4_566
N1 Cs1 O4 127.50(9) . 4_566
O3B Cs1 O4 123.22(10) 2_645 4_566
F2A Cs1 O4 123.22(10) 2_645 4_566
F1 Cs1 O2 83.40(9) 1_455 4_565
O2 Cs1 O2 116.44(10) 3_656 4_565
F2B Cs1 O2 124.31(8) 3_666 4_565
O3A Cs1 O2 124.31(8) 3_666 4_565
O1 Cs1 O2 41.39(10) 4_565 4_565
O1 Cs1 O2 70.57(8) 3_666 4_565
O4 Cs1 O2 77.67(9) 2_545 4_565
N1 Cs1 O2 88.87(9) . 4_565
O3B Cs1 O2 90.10(9) 2_645 4_565
F2A Cs1 O2 90.10(9) 2_645 4_565
O4 Cs1 O2 137.84(9) 4_566 4_565
O2 S1 O1 116.5(3) . .
O2 S1 F1 106.4(2) . .
O1 S1 F1 104.2(2) . .
O2 S1 N1 108.3(2) . .
O1 S1 N1 115.34(18) . .
F1 S1 N1 105.1(2) . .
O2 S1 Cs1 65.8(2) . 4_666
O1 S1 Cs1 55.22(15) . 4_666
F1 S1 Cs1 99.17(15) . 4_666
N1 S1 Cs1 155.63(15) . 4_666
O2 S1 Cs1 61.2(2) . .
O1 S1 Cs1 121.95(18) . .
F1 S1 Cs1 133.21(17) . .
N1 S1 Cs1 50.22(13) . .
Cs1 S1 Cs1 112.41(3) 4_666 .
O4 S2 F2A 112.3(2) . .
O4 S2 O3A 109.6(3) . .
F2A S2 O3A 106.7(2) . .
O4 S2 N1 108.7(2) . .
F2A S2 N1 111.3(2) . .
O3A S2 N1 108.16(19) . .
O4 S2 Cs1 51.08(18) . 4_665
F2A S2 Cs1 62.75(16) . 4_665
O3A S2 Cs1 135.49(14) . 4_665
N1 S2 Cs1 115.97(14) . 4_665
S1 O1 Cs1 103.85(19) . 4_666
S1 O1 Cs1 147.84(19) . 3_666
Cs1 O1 Cs1 107.77(10) 4_666 3_666
S2 F2A Cs1 150.17(19) . 2_655
S2 F2A Cs1 96.68(17) . 4_665
Cs1 F2A Cs1 86.23(7) 2_655 4_665
S2 O3A Cs1 149.0(2) . 3_666
S1 F1 Cs1 166.4(2) . 1_655
S1 O2 Cs1 145.8(2) . 3_656
S1 O2 Cs1 92.7(2) . 4_666
Cs1 O2 Cs1 104.55(11) 3_656 4_666
S1 O2 Cs1 98.7(2) . .
Cs1 O2 Cs1 89.74(12) 3_656 .
Cs1 O2 Cs1 135.04(11) 4_666 .
S2 O4 Cs1 131.2(2) . 2
S2 O4 Cs1 110.1(2) . 4_665
Cs1 O4 Cs1 113.26(9) 2 4_665
S1 N1 S2 123.6(2) . .
S1 N1 Cs1 108.73(16) . .
S2 N1 Cs1 124.66(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cs1 F1 3.115(3) 1_455
Cs1 O2 3.153(4) 3_656
Cs1 F2B 3.238(4) 3_666
Cs1 O3A 3.238(4) 3_666
Cs1 O1 3.266(3) 4_565
Cs1 O1 3.278(4) 3_666
Cs1 O4 3.309(4) 2_545
Cs1 N1 3.314(3) .
Cs1 O3B 3.325(3) 2_645
Cs1 F2A 3.325(3) 2_645
Cs1 O4 3.402(4) 4_566
Cs1 O2 3.524(5) 4_565
S1 O2 1.417(4) .
S1 O1 1.420(4) .
S1 F1 1.542(3) .
S1 N1 1.549(4) .
S1 Cs1 3.8601(12) 4_666
S2 O4 1.408(3) .
S2 F2A 1.452(3) .
S2 O3A 1.488(3) .
S2 N1 1.564(3) .
S2 Cs1 4.1051(11) 4_665
O1 Cs1 3.266(3) 4_666
O1 Cs1 3.278(4) 3_666
F2A Cs1 3.325(3) 2_655
F2A Cs1 3.674(4) 4_665
O3A Cs1 3.238(4) 3_666
F1 Cs1 3.115(3) 1_655
O2 Cs1 3.153(4) 3_656
O2 Cs1 3.524(5) 4_666
O4 Cs1 3.309(4) 2
O4 Cs1 3.402(4) 4_665
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
F1 Cs1 S1 O2 103.2(2) 1_455 .
O2 Cs1 S1 O2 -35.0(3) 3_656 .
F2B Cs1 S1 O2 79.2(2) 3_666 .
O3A Cs1 S1 O2 79.2(2) 3_666 .
O1 Cs1 S1 O2 -117.6(2) 4_565 .
O1 Cs1 S1 O2 137.2(2) 3_666 .
O4 Cs1 S1 O2 -3.6(6) 2_545 .
N1 Cs1 S1 O2 -157.3(3) . .
O3B Cs1 S1 O2 -81.3(2) 2_645 .
F2A Cs1 S1 O2 -81.3(2) 2_645 .
O4 Cs1 S1 O2 38.0(2) 4_566 .
O2 Cs1 S1 O2 -162.23(19) 4_565 .
F1 Cs1 S1 O1 -1.6(2) 1_455 .
O2 Cs1 S1 O1 -139.89(19) 3_656 .
F2B Cs1 S1 O1 -25.71(19) 3_666 .
O3A Cs1 S1 O1 -25.71(19) 3_666 .
O1 Cs1 S1 O1 137.53(16) 4_565 .
O1 Cs1 S1 O1 32.4(2) 3_666 .
O4 Cs1 S1 O1 -108.4(6) 2_545 .
N1 Cs1 S1 O1 97.9(2) . .
O3B Cs1 S1 O1 173.8(2) 2_645 .
F2A Cs1 S1 O1 173.8(2) 2_645 .
O4 Cs1 S1 O1 -66.9(2) 4_566 .
O2 Cs1 S1 O1 92.9(2) 4_565 .
F1 Cs1 S1 F1 -171.1(3) 1_455 .
O2 Cs1 S1 F1 50.7(2) 3_656 .
F2B Cs1 S1 F1 164.9(2) 3_666 .
O3A Cs1 S1 F1 164.9(2) 3_666 .
O1 Cs1 S1 F1 -31.9(2) 4_565 .
O1 Cs1 S1 F1 -137.0(2) 3_666 .
O4 Cs1 S1 F1 82.1(6) 2_545 .
N1 Cs1 S1 F1 -71.5(2) . .
O3B Cs1 S1 F1 4.4(2) 2_645 .
F2A Cs1 S1 F1 4.4(2) 2_645 .
O4 Cs1 S1 F1 123.7(2) 4_566 .
O2 Cs1 S1 F1 -76.5(2) 4_565 .
F1 Cs1 S1 N1 -99.51(18) 1_455 .
O2 Cs1 S1 N1 122.23(18) 3_656 .
F2B Cs1 S1 N1 -123.59(18) 3_666 .
O3A Cs1 S1 N1 -123.59(18) 3_666 .
O1 Cs1 S1 N1 39.65(17) 4_565 .
O1 Cs1 S1 N1 -65.50(17) 3_666 .
O4 Cs1 S1 N1 153.7(6) 2_545 .
O3B Cs1 S1 N1 75.96(18) 2_645 .
F2A Cs1 S1 N1 75.96(18) 2_645 .
O4 Cs1 S1 N1 -164.73(18) 4_566 .
O2 Cs1 S1 N1 -4.98(17) 4_565 .
F1 Cs1 S1 Cs1 60.34(8) 1_455 4_666
O2 Cs1 S1 Cs1 -77.92(8) 3_656 4_666
F2B Cs1 S1 Cs1 36.26(7) 3_666 4_666
O3A Cs1 S1 Cs1 36.26(7) 3_666 4_666
O1 Cs1 S1 Cs1 -160.50(8) 4_565 4_666
O1 Cs1 S1 Cs1 94.35(7) 3_666 4_666
O4 Cs1 S1 Cs1 -46.5(6) 2_545 4_666
N1 Cs1 S1 Cs1 159.85(17) . 4_666
O3B Cs1 S1 Cs1 -124.19(8) 2_645 4_666
F2A Cs1 S1 Cs1 -124.19(8) 2_645 4_666
O4 Cs1 S1 Cs1 -4.88(8) 4_566 4_666
O2 Cs1 S1 Cs1 154.88(7) 4_565 4_666
O2 S1 O1 Cs1 25.4(3) . 4_666
F1 S1 O1 Cs1 -91.38(19) . 4_666
N1 S1 O1 Cs1 153.93(16) . 4_666
Cs1 S1 O1 Cs1 96.55(13) . 4_666
O2 S1 O1 Cs1 -143.9(4) . 3_666
F1 S1 O1 Cs1 99.3(4) . 3_666
N1 S1 O1 Cs1 -15.4(5) . 3_666
Cs1 S1 O1 Cs1 -169.3(5) 4_666 3_666
Cs1 S1 O1 Cs1 -72.8(5) . 3_666
O4 S2 F2A Cs1 81.1(5) . 2_655
O3A S2 F2A Cs1 -39.0(5) . 2_655
N1 S2 F2A Cs1 -156.8(4) . 2_655
Cs1 S2 F2A Cs1 94.1(4) 4_665 2_655
O4 S2 F2A Cs1 -13.0(2) . 4_665
O3A S2 F2A Cs1 -133.09(17) . 4_665
N1 S2 F2A Cs1 109.13(17) . 4_665
O4 S2 O3A Cs1 160.6(4) . 3_666
F2A S2 O3A Cs1 -77.6(4) . 3_666
N1 S2 O3A Cs1 42.2(5) . 3_666
Cs1 S2 O3A Cs1 -145.5(3) 4_665 3_666
O2 S1 F1 Cs1 31.3(9) . 1_655
O1 S1 F1 Cs1 154.9(9) . 1_655
N1 S1 F1 Cs1 -83.4(9) . 1_655
Cs1 S1 F1 Cs1 98.6(9) 4_666 1_655
Cs1 S1 F1 Cs1 -34.4(10) . 1_655
O1 S1 O2 Cs1 -143.8(4) . 3_656
F1 S1 O2 Cs1 -28.2(5) . 3_656
N1 S1 O2 Cs1 84.3(5) . 3_656
Cs1 S1 O2 Cs1 -121.1(5) 4_666 3_656
Cs1 S1 O2 Cs1 102.5(5) . 3_656
O1 S1 O2 Cs1 -22.7(2) . 4_666
F1 S1 O2 Cs1 92.87(18) . 4_666
N1 S1 O2 Cs1 -154.61(15) . 4_666
Cs1 S1 O2 Cs1 -136.38(15) . 4_666
O1 S1 O2 Cs1 113.6(2) . .
F1 S1 O2 Cs1 -130.76(18) . .
N1 S1 O2 Cs1 -18.2(2) . .
Cs1 S1 O2 Cs1 136.38(15) 4_666 .
F1 Cs1 O2 S1 -89.8(2) 1_455 .
O2 Cs1 O2 S1 146.7(2) 3_656 .
F2B Cs1 O2 S1 -86.4(2) 3_666 .
O3A Cs1 O2 S1 -86.4(2) 3_666 .
O1 Cs1 O2 S1 74.5(2) 4_565 .
O1 Cs1 O2 S1 -40.20(19) 3_666 .
O4 Cs1 O2 S1 178.94(18) 2_545 .
N1 Cs1 O2 S1 12.41(14) . .
O3B Cs1 O2 S1 89.44(19) 2_645 .
F2A Cs1 O2 S1 89.44(19) 2_645 .
O4 Cs1 O2 S1 -144.0(2) 4_566 .
O2 Cs1 O2 S1 21.6(2) 4_565 .
F1 Cs1 O2 Cs1 123.52(11) 1_455 3_656
O2 Cs1 O2 Cs1 0.0 3_656 3_656
F2B Cs1 O2 Cs1 126.88(12) 3_666 3_656
O3A Cs1 O2 Cs1 126.88(12) 3_666 3_656
O1 Cs1 O2 Cs1 -72.21(12) 4_565 3_656
O1 Cs1 O2 Cs1 173.11(10) 3_666 3_656
O4 Cs1 O2 Cs1 32.2(2) 2_545 3_656
N1 Cs1 O2 Cs1 -134.28(16) . 3_656
O3B Cs1 O2 Cs1 -57.25(10) 2_645 3_656
F2A Cs1 O2 Cs1 -57.25(10) 2_645 3_656
O4 Cs1 O2 Cs1 69.32(10) 4_566 3_656
O2 Cs1 O2 Cs1 -125.09(4) 4_565 3_656
F1 Cs1 O2 Cs1 13.0(2) 1_455 4_666
O2 Cs1 O2 Cs1 -110.54(17) 3_656 4_666
F2B Cs1 O2 Cs1 16.34(13) 3_666 4_666
O3A Cs1 O2 Cs1 16.34(13) 3_666 4_666
O1 Cs1 O2 Cs1 177.25(12) 4_565 4_666
O1 Cs1 O2 Cs1 62.57(17) 3_666 4_666
O4 Cs1 O2 Cs1 -78.3(3) 2_545 4_666
N1 Cs1 O2 Cs1 115.2(2) . 4_666
O3B Cs1 O2 Cs1 -167.8(2) 2_645 4_666
F2A Cs1 O2 Cs1 -167.8(2) 2_645 4_666
O4 Cs1 O2 Cs1 -41.22(17) 4_566 4_666
O2 Cs1 O2 Cs1 124.4(2) 4_565 4_666
F2A S2 O4 Cs1 -136.8(3) . 2
O3A S2 O4 Cs1 -18.5(4) . 2
N1 S2 O4 Cs1 99.6(3) . 2
Cs1 S2 O4 Cs1 -151.7(4) 4_665 2
F2A S2 O4 Cs1 14.9(3) . 4_665
O3A S2 O4 Cs1 133.3(2) . 4_665
N1 S2 O4 Cs1 -108.7(2) . 4_665
O2 S1 N1 S2 -178.0(3) . .
O1 S1 N1 S2 49.6(4) . .
F1 S1 N1 S2 -64.6(3) . .
Cs1 S1 N1 S2 110.6(3) 4_666 .
Cs1 S1 N1 S2 161.1(3) . .
O2 S1 N1 Cs1 20.9(2) . .
O1 S1 N1 Cs1 -111.6(2) . .
F1 S1 N1 Cs1 134.26(18) . .
Cs1 S1 N1 Cs1 -50.5(3) 4_666 .
O4 S2 N1 S1 -176.3(3) . .
F2A S2 N1 S1 59.5(3) . .
O3A S2 N1 S1 -57.4(3) . .
Cs1 S2 N1 S1 128.6(2) 4_665 .
O4 S2 N1 Cs1 -18.2(3) . .
F2A S2 N1 Cs1 -142.4(2) . .
O3A S2 N1 Cs1 100.8(3) . .
Cs1 S2 N1 Cs1 -73.3(2) 4_665 .
F1 Cs1 N1 S1 93.90(17) 1_455 .
O2 Cs1 N1 S1 -65.34(19) 3_656 .
F2B Cs1 N1 S1 47.41(16) 3_666 .
O3A Cs1 N1 S1 47.41(16) 3_666 .
O1 Cs1 N1 S1 -145.16(16) 4_565 .
O1 Cs1 N1 S1 106.41(18) 3_666 .
O4 Cs1 N1 S1 -165.4(3) 2_545 .
O3B Cs1 N1 S1 -93.99(17) 2_645 .
F2A Cs1 N1 S1 -93.99(17) 2_645 .
O4 Cs1 N1 S1 18.5(2) 4_566 .
O2 Cs1 N1 S1 175.32(16) 4_565 .
F1 Cs1 N1 S2 -67.0(2) 1_455 .
O2 Cs1 N1 S2 133.8(2) 3_656 .
F2B Cs1 N1 S2 -113.5(2) 3_666 .
O3A Cs1 N1 S2 -113.5(2) 3_666 .
O1 Cs1 N1 S2 54.0(2) 4_565 .
O1 Cs1 N1 S2 -54.47(19) 3_666 .
O4 Cs1 N1 S2 33.7(5) 2_545 .
O3B Cs1 N1 S2 105.1(2) 2_645 .
F2A Cs1 N1 S2 105.1(2) 2_645 .
O4 Cs1 N1 S2 -142.4(2) 4_566 .
O2 Cs1 N1 S2 14.4(2) 4_565 .
