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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/4/33/35/4333518.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_4333518
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                 91.225(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.6219(5)
_cell_length_b                   8.6364(7)
_cell_length_c                   10.0207(8)
_cell_measurement_reflns_used    6416
_cell_measurement_temperature    113
_cell_measurement_theta_max      54.98
_cell_measurement_theta_min      6.23
_cell_volume                     659.47(9)
_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      113
_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  0.0600
_diffrn_reflns_av_sigmaI/netI    0.0492
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6215
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    6.245
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.359
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'RAPID AUTO 2.40 (Rigaku 2006)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.153
_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         1.684
_refine_diff_density_min         -2.736
_refine_diff_density_rms         0.269
_refine_ls_extinction_coef       0.0034(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     93
_refine_ls_number_reflns         1502
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0405
_refine_ls_R_factor_gt           0.0384
_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 w=1/[σ²(Fo²)+(0.0553P)²+0.9937P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0952
_refine_ls_wR_factor_ref         0.0965
_reflns_number_gt                1439
_reflns_number_total             1502
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic3010486_si_001_02.cif
_cod_data_source_block           Cs[N(SO2F)2]_I-113K
_cod_database_code               4333518
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 0.28020(3) 0.15719(3) 0.39755(3) 0.01758(17) Uani 1 1 d . .
S1 S 0.73988(15) 0.33896(12) 0.51853(12) 0.0169(3) Uani 1 1 d . .
S2 S 0.68749(16) 0.49218(14) 0.28077(12) 0.0217(3) Uani 1 1 d . .
O1 O 0.7386(5) 0.4750(5) 0.5984(3) 0.0225(8) Uani 1 1 d . .
F2A F 0.8798(4) 0.4846(4) 0.2412(3) 0.0271(9) Uani 0.72(6) 1 d P 1
O3A O 0.6678(5) 0.6399(4) 0.3477(4) 0.0268(10) Uani 0.72(6) 1 d P 1
O3B O 0.8798(4) 0.4846(4) 0.2412(3) 0.0271(9) Uani 0.28(6) 1 d P 2
F2B F 0.6678(5) 0.6399(4) 0.3477(4) 0.0268(10) Uani 0.28(6) 1 d P 2
F1 F 0.9397(4) 0.3131(4) 0.4918(4) 0.0306(7) Uani 1 1 d . .
O2 O 0.6819(5) 0.1989(5) 0.5779(4) 0.0277(8) Uani 1 1 d . .
O4 O 0.5812(5) 0.4742(4) 0.1637(3) 0.0265(8) Uani 1 1 d . .
N1 N 0.6558(5) 0.3513(4) 0.3763(4) 0.0164(8) 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 119.06(10) 1_455 3_656
F1 Cs1 F2B 66.25(10) 1_455 3_666
O2 Cs1 F2B 118.91(10) 3_656 3_666
F1 Cs1 O3A 66.25(10) 1_455 3_666
O2 Cs1 O3A 118.91(10) 3_656 3_666
F2B Cs1 O3A 0.00(8) 3_666 3_666
F1 Cs1 O1 61.48(9) 1_455 3_666
O2 Cs1 O1 174.09(10) 3_656 3_666
F2B Cs1 O1 55.43(9) 3_666 3_666
O3A Cs1 O1 55.43(9) 3_666 3_666
F1 Cs1 O1 111.88(9) 1_455 4_565
O2 Cs1 O1 74.27(10) 3_656 4_565
F2B Cs1 O1 166.33(10) 3_666 4_565
O3A Cs1 O1 166.33(10) 3_666 4_565
O1 Cs1 O1 111.27(8) 3_666 4_565
F1 Cs1 O4 63.37(10) 1_455 2_545
O2 Cs1 O4 66.81(10) 3_656 2_545
F2B Cs1 O4 121.67(10) 3_666 2_545
O3A Cs1 O4 121.67(10) 3_666 2_545
O1 Cs1 O4 116.99(9) 3_666 2_545
O1 Cs1 O4 65.28(9) 4_565 2_545
F1 Cs1 O4 59.92(9) 1_455 4_566
O2 Cs1 O4 68.78(9) 3_656 4_566
F2B Cs1 O4 65.37(9) 3_666 4_566
O3A Cs1 O4 65.37(9) 3_666 4_566
O1 Cs1 O4 108.17(9) 3_666 4_566
O1 Cs1 O4 126.42(9) 4_565 4_566
O4 Cs1 O4 65.12(10) 2_545 4_566
F1 Cs1 O3B 172.70(9) 1_455 2_645
O2 Cs1 O3B 61.01(9) 3_656 2_645
F2B Cs1 O3B 120.60(9) 3_666 2_645
O3A Cs1 O3B 120.60(9) 3_666 2_645
O1 Cs1 O3B 119.31(8) 3_666 2_645
O1 Cs1 O3B 60.85(9) 4_565 2_645
O4 Cs1 O3B 111.81(9) 2_545 2_645
O4 Cs1 O3B 124.11(9) 4_566 2_645
F1 Cs1 F2A 172.70(9) 1_455 2_645
O2 Cs1 F2A 61.01(9) 3_656 2_645
F2B Cs1 F2A 120.60(9) 3_666 2_645
O3A Cs1 F2A 120.60(9) 3_666 2_645
O1 Cs1 F2A 119.31(8) 3_666 2_645
O1 Cs1 F2A 60.85(9) 4_565 2_645
O4 Cs1 F2A 111.81(9) 2_545 2_645
O4 Cs1 F2A 124.11(9) 4_566 2_645
O3B Cs1 F2A 0.00(14) 2_645 2_645
F1 Cs1 N1 121.97(9) 1_455 .
O2 Cs1 N1 115.23(10) 3_656 .
F2B Cs1 N1 71.01(10) 3_666 .
O3A Cs1 N1 71.01(10) 3_666 .
O1 Cs1 N1 62.40(9) 3_666 .
O1 Cs1 N1 100.78(10) 4_565 .
O4 Cs1 N1 165.36(10) 2_545 .
O4 Cs1 N1 129.51(9) 4_566 .
O3B Cs1 N1 61.27(9) 2_645 .
F2A Cs1 N1 61.27(9) 2_645 .
F1 Cs1 O2 87.72(9) 1_455 4_565
O2 Cs1 O2 116.27(9) 3_656 4_565
F2B Cs1 O2 124.82(9) 3_666 4_565
O3A Cs1 O2 124.82(9) 3_666 4_565
O1 Cs1 O2 69.41(9) 3_666 4_565
O1 Cs1 O2 42.16(10) 4_565 4_565
O4 Cs1 O2 80.48(9) 2_545 4_565
O4 Cs1 O2 140.24(9) 4_566 4_565
O3B Cs1 O2 85.99(8) 2_645 4_565
F2A Cs1 O2 85.99(8) 2_645 4_565
N1 Cs1 O2 86.00(10) . 4_565
O1 S1 O2 117.4(2) . .
O1 S1 N1 116.9(2) . .
O2 S1 N1 108.4(2) . .
O1 S1 F1 103.4(2) . .
O2 S1 F1 105.2(2) . .
N1 S1 F1 103.7(2) . .
O1 S1 Cs1 55.38(15) . 4_666
O2 S1 Cs1 66.97(18) . 4_666
N1 S1 Cs1 159.73(17) . 4_666
F1 S1 Cs1 96.54(14) . 4_666
O1 S1 Cs1 118.55(15) . .
O2 S1 Cs1 61.03(18) . .
N1 S1 Cs1 53.69(15) . .
F1 S1 Cs1 137.67(14) . .
Cs1 S1 Cs1 110.93(3) 4_666 .
O4 S2 O3A 114.6(2) . .
O4 S2 F2A 108.3(2) . .
O3A S2 F2A 105.5(2) . .
O4 S2 N1 109.0(2) . .
O3A S2 N1 112.4(2) . .
F2A S2 N1 106.6(2) . .
O4 S2 Cs1 45.80(15) . 4_665
O3A S2 Cs1 136.60(16) . 4_665
F2A S2 Cs1 63.94(13) . 4_665
N1 S2 Cs1 110.90(16) . 4_665
S1 O1 Cs1 146.4(2) . 3_666
S1 O1 Cs1 103.29(19) . 4_666
Cs1 O1 Cs1 110.26(10) 3_666 4_666
S2 F2A Cs1 148.33(17) . 2_655
S2 F2A Cs1 94.39(14) . 4_665
Cs1 F2A Cs1 84.60(7) 2_655 4_665
S2 O3A Cs1 149.4(2) . 3_666
S1 F1 Cs1 160.0(2) . 1_655
S1 O2 Cs1 148.0(2) . 3_656
S1 O2 Cs1 91.1(2) . 4_666
Cs1 O2 Cs1 105.19(11) 3_656 4_666
S1 O2 Cs1 98.4(2) . .
Cs1 O2 Cs1 91.01(11) 3_656 .
Cs1 O2 Cs1 131.98(11) 4_666 .
S2 O4 Cs1 125.0(2) . 2
S2 O4 Cs1 116.22(19) . 4_665
Cs1 O4 Cs1 114.88(10) 2 4_665
S1 N1 S2 123.1(2) . .
S1 N1 Cs1 104.20(19) . .
S2 N1 Cs1 125.0(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cs1 F1 3.090(3) 1_455
Cs1 O2 3.098(4) 3_656
Cs1 F2B 3.115(4) 3_666
Cs1 O3A 3.115(4) 3_666
Cs1 O1 3.180(4) 3_666
Cs1 O1 3.217(3) 4_565
Cs1 O4 3.223(4) 2_545
Cs1 O4 3.297(4) 4_566
Cs1 O3B 3.320(3) 2_645
Cs1 F2A 3.320(3) 2_645
Cs1 N1 3.328(4) .
Cs1 O2 3.502(4) 4_565
S1 O1 1.422(4) .
S1 O2 1.422(4) .
S1 N1 1.554(4) .
S1 F1 1.568(3) .
S1 Cs1 3.8040(13) 4_666
S2 O4 1.420(3) .
S2 O3A 1.450(4) .
S2 F2A 1.528(3) .
S2 N1 1.570(4) .
S2 Cs1 4.1263(13) 4_665
O1 Cs1 3.180(4) 3_666
O1 Cs1 3.217(3) 4_666
F2A Cs1 3.320(3) 2_655
F2A Cs1 3.718(3) 4_665
O3A Cs1 3.115(4) 3_666
F1 Cs1 3.090(3) 1_655
O2 Cs1 3.098(4) 3_656
O2 Cs1 3.502(4) 4_666
O4 Cs1 3.223(4) 2
O4 Cs1 3.297(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 O1 -2.28(19) 1_455 .
O2 Cs1 S1 O1 -139.56(19) 3_656 .
F2B Cs1 S1 O1 -25.53(19) 3_666 .
O3A Cs1 S1 O1 -25.53(19) 3_666 .
O1 Cs1 S1 O1 36.1(2) 3_666 .
O1 Cs1 S1 O1 139.48(16) 4_565 .
O4 Cs1 S1 O1 -100.3(5) 2_545 .
O4 Cs1 S1 O1 -67.09(19) 4_566 .
O3B Cs1 S1 O1 172.59(19) 2_645 .
F2A Cs1 S1 O1 172.59(19) 2_645 .
N1 Cs1 S1 O1 103.8(2) . .
O2 Cs1 S1 O1 94.90(19) 4_565 .
F1 Cs1 S1 O2 105.1(2) 1_455 .
O2 Cs1 S1 O2 -32.2(3) 3_656 .
F2B Cs1 S1 O2 81.8(2) 3_666 .
O3A Cs1 S1 O2 81.8(2) 3_666 .
O1 Cs1 S1 O2 143.5(2) 3_666 .
O1 Cs1 S1 O2 -113.2(2) 4_565 .
O4 Cs1 S1 O2 7.0(5) 2_545 .
O4 Cs1 S1 O2 40.3(2) 4_566 .
O3B Cs1 S1 O2 -80.04(19) 2_645 .
F2A Cs1 S1 O2 -80.04(19) 2_645 .
N1 Cs1 S1 O2 -148.8(3) . .
O2 Cs1 S1 O2 -157.7(2) 4_565 .
F1 Cs1 S1 N1 -106.11(19) 1_455 .
O2 Cs1 S1 N1 116.61(19) 3_656 .
F2B Cs1 S1 N1 -129.36(19) 3_666 .
O3A Cs1 S1 N1 -129.36(19) 3_666 .
O1 Cs1 S1 N1 -67.72(18) 3_666 .
O1 Cs1 S1 N1 35.65(19) 4_565 .
O4 Cs1 S1 N1 155.8(5) 2_545 .
O4 Cs1 S1 N1 -170.92(18) 4_566 .
O3B Cs1 S1 N1 68.77(18) 2_645 .
F2A Cs1 S1 N1 68.77(18) 2_645 .
O2 Cs1 S1 N1 -8.93(18) 4_565 .
F1 Cs1 S1 F1 -174.3(3) 1_455 .
O2 Cs1 S1 F1 48.4(2) 3_656 .
F2B Cs1 S1 F1 162.4(2) 3_666 .
O3A Cs1 S1 F1 162.4(2) 3_666 .
O1 Cs1 S1 F1 -135.9(2) 3_666 .
O1 Cs1 S1 F1 -32.6(2) 4_565 .
O4 Cs1 S1 F1 87.6(5) 2_545 .
O4 Cs1 S1 F1 120.9(2) 4_566 .
O3B Cs1 S1 F1 0.6(2) 2_645 .
F2A Cs1 S1 F1 0.6(2) 2_645 .
N1 Cs1 S1 F1 -68.2(3) . .
O2 Cs1 S1 F1 -77.1(2) 4_565 .
F1 Cs1 S1 Cs1 58.75(8) 1_455 4_666
O2 Cs1 S1 Cs1 -78.53(8) 3_656 4_666
F2B Cs1 S1 Cs1 35.50(8) 3_666 4_666
O3A Cs1 S1 Cs1 35.50(8) 3_666 4_666
O1 Cs1 S1 Cs1 97.14(7) 3_666 4_666
O1 Cs1 S1 Cs1 -159.49(8) 4_565 4_666
O4 Cs1 S1 Cs1 -39.3(5) 2_545 4_666
O4 Cs1 S1 Cs1 -6.06(7) 4_566 4_666
O3B Cs1 S1 Cs1 -126.37(7) 2_645 4_666
F2A Cs1 S1 Cs1 -126.37(7) 2_645 4_666
N1 Cs1 S1 Cs1 164.86(18) . 4_666
O2 Cs1 S1 Cs1 155.93(7) 4_565 4_666
O2 S1 O1 Cs1 -155.2(3) . 3_666
N1 S1 O1 Cs1 -23.7(5) . 3_666
F1 S1 O1 Cs1 89.5(4) . 3_666
Cs1 S1 O1 Cs1 178.2(4) 4_666 3_666
Cs1 S1 O1 Cs1 -85.0(4) . 3_666
O2 S1 O1 Cs1 26.6(3) . 4_666
N1 S1 O1 Cs1 158.14(19) . 4_666
F1 S1 O1 Cs1 -88.70(18) . 4_666
Cs1 S1 O1 Cs1 96.82(12) . 4_666
O4 S2 F2A Cs1 75.2(4) . 2_655
O3A S2 F2A Cs1 -47.9(4) . 2_655
N1 S2 F2A Cs1 -167.6(3) . 2_655
Cs1 S2 F2A Cs1 86.8(3) 4_665 2_655
O4 S2 F2A Cs1 -11.7(2) . 4_665
O3A S2 F2A Cs1 -134.74(17) . 4_665
N1 S2 F2A Cs1 105.57(18) . 4_665
O4 S2 O3A Cs1 162.6(4) . 3_666
F2A S2 O3A Cs1 -78.4(4) . 3_666
N1 S2 O3A Cs1 37.4(5) . 3_666
Cs1 S2 O3A Cs1 -146.6(3) 4_665 3_666
O1 S1 F1 Cs1 172.4(5) . 1_655
O2 S1 F1 Cs1 48.6(6) . 1_655
N1 S1 F1 Cs1 -65.2(6) . 1_655
Cs1 S1 F1 Cs1 116.5(5) 4_666 1_655
Cs1 S1 F1 Cs1 -14.8(7) . 1_655
O1 S1 O2 Cs1 -145.2(4) . 3_656
N1 S1 O2 Cs1 79.5(5) . 3_656
F1 S1 O2 Cs1 -30.9(5) . 3_656
Cs1 S1 O2 Cs1 -121.6(5) 4_666 3_656
Cs1 S1 O2 Cs1 105.6(5) . 3_656
O1 S1 O2 Cs1 -23.6(2) . 4_666
N1 S1 O2 Cs1 -158.87(17) . 4_666
F1 S1 O2 Cs1 90.74(17) . 4_666
Cs1 S1 O2 Cs1 -132.77(14) . 4_666
O1 S1 O2 Cs1 109.1(2) . .
N1 S1 O2 Cs1 -26.1(2) . .
F1 S1 O2 Cs1 -136.49(16) . .
Cs1 S1 O2 Cs1 132.77(14) 4_666 .
F1 Cs1 O2 S1 -86.7(2) 1_455 .
O2 Cs1 O2 S1 149.3(2) 3_656 .
F2B Cs1 O2 S1 -83.82(19) 3_666 .
O3A Cs1 O2 S1 -83.82(19) 3_666 .
O1 Cs1 O2 S1 -33.88(18) 3_666 .
O1 Cs1 O2 S1 79.5(2) 4_565 .
O4 Cs1 O2 S1 -177.84(16) 2_545 .
O4 Cs1 O2 S1 -141.97(19) 4_566 .
O3B Cs1 O2 S1 90.94(18) 2_645 .
F2A Cs1 O2 S1 90.94(18) 2_645 .
N1 Cs1 O2 S1 17.27(15) . .
O2 Cs1 O2 S1 26.7(2) 4_565 .
F1 Cs1 O2 Cs1 123.99(10) 1_455 3_656
O2 Cs1 O2 Cs1 0.0 3_656 3_656
F2B Cs1 O2 Cs1 126.88(13) 3_666 3_656
O3A Cs1 O2 Cs1 126.88(13) 3_666 3_656
O1 Cs1 O2 Cs1 176.83(10) 3_666 3_656
O1 Cs1 O2 Cs1 -69.81(13) 4_565 3_656
O4 Cs1 O2 Cs1 32.9(2) 2_545 3_656
O4 Cs1 O2 Cs1 68.74(10) 4_566 3_656
O3B Cs1 O2 Cs1 -58.35(9) 2_645 3_656
F2A Cs1 O2 Cs1 -58.35(9) 2_645 3_656
N1 Cs1 O2 Cs1 -132.02(17) . 3_656
O2 Cs1 O2 Cs1 -122.58(4) 4_565 3_656
F1 Cs1 O2 Cs1 12.38(19) 1_455 4_666
O2 Cs1 O2 Cs1 -111.61(17) 3_656 4_666
F2B Cs1 O2 Cs1 15.28(13) 3_666 4_666
O3A Cs1 O2 Cs1 15.28(13) 3_666 4_666
O1 Cs1 O2 Cs1 65.22(15) 3_666 4_666
O1 Cs1 O2 Cs1 178.58(11) 4_565 4_666
O4 Cs1 O2 Cs1 -78.7(2) 2_545 4_666
O4 Cs1 O2 Cs1 -42.87(16) 4_566 4_666
O3B Cs1 O2 Cs1 -169.96(18) 2_645 4_666
F2A Cs1 O2 Cs1 -169.96(18) 2_645 4_666
N1 Cs1 O2 Cs1 116.4(2) . 4_666
O2 Cs1 O2 Cs1 125.81(19) 4_565 4_666
O3A S2 O4 Cs1 -24.5(3) . 2
F2A S2 O4 Cs1 -141.9(2) . 2
N1 S2 O4 Cs1 102.4(3) . 2
Cs1 S2 O4 Cs1 -156.5(3) 4_665 2
O3A S2 O4 Cs1 132.1(2) . 4_665
F2A S2 O4 Cs1 14.7(3) . 4_665
N1 S2 O4 Cs1 -101.0(2) . 4_665
O1 S1 N1 S2 43.6(4) . .
O2 S1 N1 S2 179.1(3) . .
F1 S1 N1 S2 -69.5(3) . .
Cs1 S1 N1 S2 105.8(4) 4_666 .
Cs1 S1 N1 S2 150.6(4) . .
O1 S1 N1 Cs1 -107.0(2) . .
O2 S1 N1 Cs1 28.5(2) . .
F1 S1 N1 Cs1 139.95(16) . .
Cs1 S1 N1 Cs1 -44.8(4) 4_666 .
O4 S2 N1 S1 -175.2(3) . .
O3A S2 N1 S1 -47.1(4) . .
F2A S2 N1 S1 68.0(3) . .
Cs1 S2 N1 S1 135.9(2) 4_665 .
O4 S2 N1 Cs1 -30.8(3) . .
O3A S2 N1 Cs1 97.4(3) . .
F2A S2 N1 Cs1 -147.5(2) . .
Cs1 S2 N1 Cs1 -79.6(2) 4_665 .
F1 Cs1 N1 S1 86.69(18) 1_455 .
O2 Cs1 N1 S1 -71.3(2) 3_656 .
F2B Cs1 N1 S1 42.48(16) 3_666 .
O3A Cs1 N1 S1 42.48(16) 3_666 .
O1 Cs1 N1 S1 102.66(19) 3_666 .
O1 Cs1 N1 S1 -148.85(17) 4_565 .
O4 Cs1 N1 S1 -165.9(3) 2_545 .
O4 Cs1 N1 S1 11.2(2) 4_566 .
O3B Cs1 N1 S1 -100.90(18) 2_645 .
F2A Cs1 N1 S1 -100.90(18) 2_645 .
O2 Cs1 N1 S1 171.48(17) 4_565 .
F1 Cs1 N1 S2 -63.2(3) 1_455 .
O2 Cs1 N1 S2 138.8(2) 3_656 .
F2B Cs1 N1 S2 -107.4(3) 3_666 .
O3A Cs1 N1 S2 -107.4(3) 3_666 .
O1 Cs1 N1 S2 -47.2(2) 3_666 .
O1 Cs1 N1 S2 61.3(3) 4_565 .
O4 Cs1 N1 S2 44.2(5) 2_545 .
O4 Cs1 N1 S2 -138.6(2) 4_566 .
O3B Cs1 N1 S2 109.2(3) 2_645 .
F2A Cs1 N1 S2 109.2(3) 2_645 .
O2 Cs1 N1 S2 21.6(2) 4_565 .
