#------------------------------------------------------------------------------
#$Date: 2019-04-18 04:21:42 +0300 (Thu, 18 Apr 2019) $
#$Revision: 214686 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/26/7232633.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_7232633
loop_
_publ_author_name
'MANDAI, Toshihiko'
'Tatesaka, Kenji'
'Soh, Kenya'
'Masu, Hyuma'
'Choudhary, Ashu'
'Tateyama, Yoshitaka'
'Ise, Ryuta'
'Imai, Hiroaki'
'Takeguchi, Tatsuya'
'Kanamura, Kiyoshi'
_publ_section_title
;
 Modifications in Coordination Structure of Mg[TFSA]2-Based Supporting
 Salts for High-Voltage Magnesium Rechargeable Batteries
;
_journal_name_full               'Physical Chemistry Chemical Physics'
_journal_paper_doi               10.1039/C9CP01400D
_journal_year                    2019
_chemical_formula_moiety         'C34 H48 F12 Mg N14 O8 S4'
_chemical_formula_sum            'C34 H48 F12 Mg N14 O8 S4'
_chemical_formula_weight         1161.37
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2019-03-04 deposited with the CCDC.    2019-04-11 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 98.442(5)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   11.0919(5)
_cell_length_b                   11.1816(6)
_cell_length_c                   20.2849(11)
_cell_measurement_reflns_used    8048
_cell_measurement_temperature    123
_cell_measurement_theta_max      30.12
_cell_measurement_theta_min      2.03
_cell_volume                     2488.6(2)
_computing_cell_refinement       'CrysAlisPro 1.171.39.43c (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.43c (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.43c (Rigaku OD, 2018)'
_computing_molecular_graphics    'CrystalStructure 4.2'
_computing_publication_material  'CrystalStructure 4.2 (Rigaku, 2017)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT Version 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 5.811
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.891
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0661
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.891
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            31278
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.891
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.215
_diffrn_reflns_theta_min         2.030
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.311
_exptl_absorpt_correction_T_max  0.985
_exptl_absorpt_correction_T_min  0.254
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.43c (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1196.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.66
_refine_diff_density_min         -0.59
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     331
_refine_ls_number_reflns         6609
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0695
_refine_ls_R_factor_gt           0.0468
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0706P)²+0.6071P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1151
_refine_ls_wR_factor_ref         0.1251
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4978
_reflns_number_total             6609
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c9cp01400d2.cif
_cod_data_source_block           xcalibur
_cod_database_code               7232633
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +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
S1 S 0.21260(4) 0.61424(4) 0.10846(2) 0.01851(12) Uani 1 1 d . . .
S2 S 0.18628(4) 0.74828(4) 0.22191(2) 0.02030(12) Uani 1 1 d . . .
Mg1 Mg 0.5000 0.5000 0.5000 0.01304(17) Uani 1 2 d S . P
F1 F 0.18068(12) 0.38638(10) 0.13265(7) 0.0407(3) Uani 1 1 d . . .
F2 F 0.01465(10) 0.48831(12) 0.11271(7) 0.0420(3) Uani 1 1 d . . .
F3 F 0.11369(11) 0.44234(11) 0.03255(6) 0.0371(3) Uani 1 1 d . . .
F4 F -0.01766(12) 0.64778(17) 0.24349(8) 0.0593(5) Uani 1 1 d . . .
F5 F -0.03691(11) 0.75987(13) 0.15660(7) 0.0456(4) Uani 1 1 d . . .
F6 F -0.01257(15) 0.83899(19) 0.25418(9) 0.0730(5) Uani 1 1 d . . .
O1 O 0.33049(11) 0.58132(12) 0.09348(7) 0.0276(3) Uani 1 1 d . . .
O2 O 0.14463(12) 0.70000(12) 0.06584(7) 0.0278(3) Uani 1 1 d . . .
O3 O 0.23006(13) 0.73554(12) 0.29131(7) 0.0291(3) Uani 1 1 d . . .
O4 O 0.21265(14) 0.85555(12) 0.18858(7) 0.0332(3) Uani 1 1 d . . .
N1 N 0.46631(12) 0.68193(12) 0.46091(7) 0.0155(3) Uani 1 1 d . . .
N2 N 0.37018(12) 0.84790(12) 0.42444(8) 0.0175(3) Uani 1 1 d . . .
N3 N 0.69470(12) 0.53148(12) 0.49415(7) 0.0157(3) Uani 1 1 d . . .
N4 N 0.85668(12) 0.57563(13) 0.44663(7) 0.0171(3) Uani 1 1 d . . .
N5 N 0.46848(12) 0.43404(12) 0.39637(7) 0.0158(3) Uani 1 1 d . . .
N6 N 0.45062(12) 0.31316(13) 0.30911(7) 0.0186(3) Uani 1 1 d . . .
N7 N 0.21455(14) 0.62947(13) 0.18571(8) 0.0227(3) Uani 1 1 d . . .
C1 C 0.36504(15) 0.74574(14) 0.45873(9) 0.0169(3) Uani 1 1 d . . .
H1 H 0.2969 0.7220 0.4790 0.020 Uiso 1 1 calc R U .
C2 C 0.53983(16) 0.74843(15) 0.42557(9) 0.0203(4) Uani 1 1 d . . .
H2 H 0.6196 0.7263 0.4185 0.024 Uiso 1 1 calc R U .
C3 C 0.48135(16) 0.85025(16) 0.40231(9) 0.0222(4) Uani 1 1 d . . .
H3 H 0.5113 0.9107 0.3761 0.027 Uiso 1 1 calc R U .
C4 C 0.27263(17) 0.93722(16) 0.41075(10) 0.0246(4) Uani 1 1 d . . .
H4A H 0.2049 0.9154 0.4353 0.030 Uiso 1 1 calc R U .
H4B H 0.2407 0.9368 0.3625 0.030 Uiso 1 1 calc R U .
C5 C 0.3171(2) 1.06180(17) 0.43117(11) 0.0324(5) Uani 1 1 d . . .
H5A H 0.2497 1.1187 0.4213 0.039 Uiso 1 1 calc R U .
H5B H 0.3473 1.0630 0.4791 0.039 Uiso 1 1 calc R U .
H5C H 0.3831 1.0843 0.4064 0.039 Uiso 1 1 calc R U .
C6 C 0.75148(14) 0.51316(14) 0.44203(9) 0.0163(3) Uani 1 1 d . . .
H6 H 0.7219 0.4622 0.4058 0.020 Uiso 1 1 calc R U .
C7 C 0.76879(15) 0.60960(15) 0.53444(9) 0.0187(3) Uani 1 1 d . . .
H7 H 0.7525 0.6393 0.5761 0.022 Uiso 1 1 calc R U .
C8 C 0.86870(15) 0.63780(16) 0.50555(9) 0.0197(4) Uani 1 1 d . . .
H8 H 0.9334 0.6899 0.5227 0.024 Uiso 1 1 calc R U .
C9 C 0.93923(16) 0.5754(2) 0.39580(10) 0.0272(4) Uani 1 1 d . . .
H9A H 0.8949 0.6068 0.3534 0.033 Uiso 1 1 calc R U .
H9B H 0.9636 0.4921 0.3879 0.033 Uiso 1 1 calc R U .
C10 C 1.05260(15) 0.64987(17) 0.41591(10) 0.0252(4) Uani 1 1 d . . .
H10A H 1.1041 0.6467 0.3806 0.030 Uiso 1 1 calc R U .
H10B H 1.0292 0.7329 0.4228 0.030 Uiso 1 1 calc R U .
H10C H 1.0979 0.6182 0.4573 0.030 Uiso 1 1 calc R U .
C11 C 0.49448(14) 0.32757(15) 0.37399(9) 0.0167(3) Uani 1 1 d . . .
H11 H 0.5391 0.2680 0.4007 0.020 Uiso 1 1 calc R U .
C12 C 0.40377(16) 0.49141(15) 0.34203(9) 0.0206(4) Uani 1 1 d . . .
H12 H 0.3722 0.5704 0.3424 0.025 Uiso 1 1 calc R U .
C13 C 0.39197(16) 0.41831(16) 0.28821(9) 0.0230(4) Uani 1 1 d . . .
H13 H 0.3514 0.4359 0.2447 0.028 Uiso 1 1 calc R U .
C14 C 0.46339(17) 0.20621(17) 0.26847(10) 0.0249(4) Uani 1 1 d . . .
H14A H 0.5139 0.1463 0.2959 0.030 Uiso 1 1 calc R U .
H14B H 0.5061 0.2282 0.2306 0.030 Uiso 1 1 calc R U .
C15 C 0.34118(19) 0.15113(19) 0.24179(11) 0.0339(5) Uani 1 1 d . . .
H15A H 0.3537 0.0804 0.2151 0.041 Uiso 1 1 calc R U .
H15B H 0.2993 0.1277 0.2791 0.041 Uiso 1 1 calc R U .
H15C H 0.2914 0.2096 0.2139 0.041 Uiso 1 1 calc R U .
C16 C 0.12493(17) 0.47489(18) 0.09614(10) 0.0268(4) Uani 1 1 d . . .
C17 C 0.02003(19) 0.7494(2) 0.21859(11) 0.0374(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
C C 0.0033 0.0016
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Mg Mg 0.0486 0.0363
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
S S 0.1246 0.1234
;
International Tables for Crystallography
(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
O2 S1 O1 117.43(9) . .
O2 S1 N7 117.30(8) . .
O1 S1 N7 111.06(8) . .
O2 S1 C16 105.39(8) . .
O1 S1 C16 103.58(9) . .
N7 S1 C16 99.04(9) . .
O3 S2 O4 119.14(9) . .
O3 S2 N7 108.31(8) . .
O4 S2 N7 114.83(9) . .
O3 S2 C17 103.38(10) . .
O4 S2 C17 104.57(10) . .
N7 S2 C17 104.88(10) . .
N1 Mg1 N1 180.0 . 3_666
N1 Mg1 N5 88.33(5) . .
N1 Mg1 N5 91.67(5) 3_666 .
N1 Mg1 N5 91.67(5) . 3_666
N1 Mg1 N5 88.33(5) 3_666 3_666
N5 Mg1 N5 180.0 . 3_666
N1 Mg1 N3 87.07(5) . .
N1 Mg1 N3 92.93(5) 3_666 .
N5 Mg1 N3 91.23(5) . .
N5 Mg1 N3 88.77(5) 3_666 .
N1 Mg1 N3 92.93(5) . 3_666
N1 Mg1 N3 87.07(5) 3_666 3_666
N5 Mg1 N3 88.77(5) . 3_666
N5 Mg1 N3 91.23(5) 3_666 3_666
N3 Mg1 N3 180.0 . 3_666
C1 N1 C2 104.78(14) . .
C1 N1 Mg1 127.53(11) . .
C2 N1 Mg1 127.21(11) . .
C1 N2 C3 107.10(14) . .
C1 N2 C4 126.17(15) . .
C3 N2 C4 126.68(15) . .
C6 N3 C7 105.01(14) . .
C6 N3 Mg1 127.02(11) . .
C7 N3 Mg1 124.77(11) . .
C6 N4 C8 107.13(14) . .
C6 N4 C9 124.67(15) . .
C8 N4 C9 128.19(14) . .
C11 N5 C12 104.97(14) . .
C11 N5 Mg1 128.07(11) . .
C12 N5 Mg1 126.57(11) . .
C11 N6 C13 106.57(14) . .
C11 N6 C14 126.53(15) . .
C13 N6 C14 126.90(15) . .
S2 N7 S1 125.62(10) . .
N1 C1 N2 112.02(15) . .
N1 C1 H1 124.0 . .
N2 C1 H1 124.0 . .
C3 C2 N1 110.07(15) . .
C3 C2 H2 125.0 . .
N1 C2 H2 125.0 . .
C2 C3 N2 106.03(15) . .
C2 C3 H3 127.0 . .
N2 C3 H3 127.0 . .
N2 C4 C5 111.86(15) . .
N2 C4 H4A 109.2 . .
C5 C4 H4A 109.2 . .
N2 C4 H4B 109.2 . .
C5 C4 H4B 109.2 . .
H4A C4 H4B 107.9 . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
N3 C6 N4 111.85(15) . .
N3 C6 H6 124.1 . .
N4 C6 H6 124.1 . .
C8 C7 N3 110.00(16) . .
C8 C7 H7 125.0 . .
N3 C7 H7 125.0 . .
C7 C8 N4 106.02(14) . .
C7 C8 H8 127.0 . .
N4 C8 H8 127.0 . .
N4 C9 C10 112.77(16) . .
N4 C9 H9A 109.0 . .
C10 C9 H9A 109.0 . .
N4 C9 H9B 109.0 . .
C10 C9 H9B 109.0 . .
H9A C9 H9B 107.8 . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
N5 C11 N6 112.25(15) . .
N5 C11 H11 123.9 . .
N6 C11 H11 123.9 . .
C13 C12 N5 109.88(15) . .
C13 C12 H12 125.1 . .
N5 C12 H12 125.1 . .
C12 C13 N6 106.33(15) . .
C12 C13 H13 126.8 . .
N6 C13 H13 126.8 . .
N6 C14 C15 112.09(15) . .
N6 C14 H14A 109.2 . .
C15 C14 H14A 109.2 . .
N6 C14 H14B 109.2 . .
C15 C14 H14B 109.2 . .
H14A C14 H14B 107.9 . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
F2 C16 F3 108.61(15) . .
F2 C16 F1 108.29(16) . .
F3 C16 F1 107.81(16) . .
F2 C16 S1 111.12(14) . .
F3 C16 S1 109.71(13) . .
F1 C16 S1 111.20(12) . .
F6 C17 F5 108.75(18) . .
F6 C17 F4 108.3(2) . .
F5 C17 F4 107.57(19) . .
F6 C17 S2 109.90(17) . .
F5 C17 S2 111.79(15) . .
F4 C17 S2 110.44(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
S1 O2 1.4297(13) .
S1 O1 1.4333(13) .
S1 N7 1.5732(16) .
S1 C16 1.8344(19) .
S2 O3 1.4274(15) .
S2 O4 1.4281(15) .
S2 N7 1.5716(16) .
S2 C17 1.835(2) .
Mg1 N1 2.1953(13) .
Mg1 N1 2.1954(13) 3_666
Mg1 N5 2.2067(14) .
Mg1 N5 2.2067(14) 3_666
Mg1 N3 2.2085(13) .
Mg1 N3 2.2085(13) 3_666
F1 C16 1.333(2) .
F2 C16 1.324(2) .
F3 C16 1.328(2) .
F4 C17 1.335(3) .
F5 C17 1.327(3) .
F6 C17 1.316(3) .
N1 C1 1.326(2) .
N1 C2 1.380(2) .
N2 C1 1.343(2) .
N2 C3 1.373(2) .
N2 C4 1.469(2) .
N3 C6 1.324(2) .
N3 C7 1.382(2) .
N4 C6 1.351(2) .
N4 C8 1.372(2) .
N4 C9 1.476(2) .
N5 C11 1.321(2) .
N5 C12 1.382(2) .
N6 C11 1.344(2) .
N6 C13 1.380(2) .
N6 C14 1.471(2) .
C1 H1 0.9500 .
C2 C3 1.360(2) .
C2 H2 0.9500 .
C3 H3 0.9500 .
C4 C5 1.515(3) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 H6 0.9500 .
C7 C8 1.364(2) .
C7 H7 0.9500 .
C8 H8 0.9500 .
C9 C10 1.513(2) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11 0.9500 .
C12 C13 1.355(3) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 C15 1.515(3) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
O3 S2 N7 S1 -163.92(11)
O4 S2 N7 S1 -28.00(16)
C17 S2 N7 S1 86.19(14)
O2 S1 N7 S2 -20.83(16)
O1 S1 N7 S2 118.13(12)
C16 S1 N7 S2 -133.44(12)
C2 N1 C1 N2 -0.07(19)
Mg1 N1 C1 N2 -172.52(11)
C3 N2 C1 N1 0.6(2)
C4 N2 C1 N1 178.07(16)
C1 N1 C2 C3 -0.5(2)
Mg1 N1 C2 C3 171.95(12)
N1 C2 C3 N2 0.9(2)
C1 N2 C3 C2 -0.9(2)
C4 N2 C3 C2 -178.34(17)
C1 N2 C4 C5 127.65(19)
C3 N2 C4 C5 -55.4(3)
C7 N3 C6 N4 -0.44(18)
Mg1 N3 C6 N4 159.88(11)
C8 N4 C6 N3 0.24(19)
C9 N4 C6 N3 -178.92(16)
C6 N3 C7 C8 0.48(19)
Mg1 N3 C7 C8 -160.41(12)
N3 C7 C8 N4 -0.35(19)
C6 N4 C8 C7 0.08(18)
C9 N4 C8 C7 179.19(17)
C6 N4 C9 C10 -177.65(16)
C8 N4 C9 C10 3.4(3)
C12 N5 C11 N6 -0.07(19)
Mg1 N5 C11 N6 173.03(11)
C13 N6 C11 N5 -0.02(19)
C14 N6 C11 N5 179.73(15)
C11 N5 C12 C13 0.13(19)
Mg1 N5 C12 C13 -173.11(12)
N5 C12 C13 N6 -0.1(2)
C11 N6 C13 C12 0.09(19)
C14 N6 C13 C12 -179.65(16)
C11 N6 C14 C15 118.13(19)
C13 N6 C14 C15 -62.2(2)
O2 S1 C16 F2 -60.49(15)
O1 S1 C16 F2 175.59(13)
N7 S1 C16 F2 61.21(14)
O2 S1 C16 F3 59.63(15)
O1 S1 C16 F3 -64.29(15)
N7 S1 C16 F3 -178.67(13)
O2 S1 C16 F1 178.80(14)
O1 S1 C16 F1 54.88(16)
N7 S1 C16 F1 -59.50(16)
O3 S2 C17 F6 59.63(18)
O4 S2 C17 F6 -65.76(18)
N7 S2 C17 F6 173.04(16)
O3 S2 C17 F5 -179.52(16)
O4 S2 C17 F5 55.10(19)
N7 S2 C17 F5 -66.11(19)
O3 S2 C17 F4 -59.79(17)
O4 S2 C17 F4 174.82(15)
N7 S2 C17 F4 53.62(17)
