#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/49/2014965.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2014965
loop_
_publ_author_name
'Sharma, Raj Pal'
'Bala, Ritu'
'Sharma, Rajni'
'Bond, Andrew D.'
_publ_section_title
;
 Second-sphere coordination in anion binding: sodium
 hexaamminecobalt(III) tetrakis(4-fluorobenzoate) monohydrate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m356
_journal_page_last               m358
_journal_paper_doi               10.1107/S0108270105018500
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'Na [Co (N H3)6] (C7 H4 F O2)4 , H2 O'
_chemical_formula_moiety         'Na + , Co N6 H18 3+ , 4C7 H4 F O2 - , H2 O'
_chemical_formula_sum            'C28 H36 Co F4 N6 Na O9'
_chemical_formula_weight         758.55
_chemical_melting_point          478
_chemical_name_systematic
;
sodium hexaamminecobalt(III) tetrakis(4-fluorobenzoate) monohydrate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 112.3490(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.1930(4)
_cell_length_b                   33.4500(9)
_cell_length_c                   6.5169(2)
_cell_measurement_reflns_used    6005
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      28.02
_cell_measurement_theta_min      2.28
_cell_volume                     3264.77(16)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'APEX2 (Bruker Nonius, 2003)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 2000)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.889
_diffrn_measurement_device_type  'Bruker Nonius X8APEX-II CCD area-detector'
_diffrn_measurement_method       'thin-slice ω and φ'
_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  0.0188
_diffrn_reflns_av_sigmaI/netI    0.0183
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            11474
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         28.02
_diffrn_reflns_theta_min         3.59
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.623
_exptl_absorpt_correction_T_max  0.886
_exptl_absorpt_correction_T_min  0.699
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 2003) Ratio of minimum to maximum apparent
transmission 0.788976
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.543
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1568
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.583
_refine_diff_density_min         -0.239
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     269
_refine_ls_number_reflns         3531
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0378
_refine_ls_R_factor_gt           0.0293
_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)+(0.0506P)²+1.8227P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0791
_refine_ls_wR_factor_ref         0.0853
_reflns_number_gt                2909
_reflns_number_total             3531
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bg1006.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2014965
_cod_database_fobs_code          2014965
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Na1 0.0000 0.30706(2) 0.7500 0.02469(19) Uani d S 1 . . Na
Co1 0.2500 0.2500 0.5000 0.01635(9) Uani d S 1 . . Co
N1 0.32012(8) 0.24780(3) 0.3142(2) 0.0199(2) Uani d D 1 . . N
H12 0.3743(8) 0.2401(5) 0.395(3) 0.038(5) Uiso d D 1 . . H
H11 0.3206(14) 0.2701(4) 0.245(3) 0.049(6) Uiso d D 1 . . H
H13 0.2979(11) 0.2295(4) 0.211(3) 0.031(5) Uiso d D 1 . . H
N2 0.25725(8) 0.30863(4) 0.50156(18) 0.0216(3) Uani d D 1 . . N
H21 0.2136(10) 0.3202(5) 0.393(3) 0.047(6) Uiso d D 1 . . H
H22 0.3084(9) 0.3156(5) 0.495(3) 0.038(5) Uiso d D 1 . . H
H23 0.2581(13) 0.3179(5) 0.628(2) 0.041(5) Uiso d D 1 . . H
N3 0.14240(8) 0.25011(3) 0.2282(2) 0.0209(3) Uani d D 1 . . N
H31 0.1394(12) 0.2721(4) 0.152(3) 0.032(5) Uiso d D 1 . . H
H32 0.1425(12) 0.2301(4) 0.141(3) 0.030(5) Uiso d D 1 . . H
H33 0.0940(11) 0.2476(5) 0.254(4) 0.054(7) Uiso d D 1 . . H
O1 0.27698(7) 0.31719(3) 0.97414(17) 0.0297(2) Uani d . 1 . . O
O2 0.14494(7) 0.32681(3) 1.00023(17) 0.0283(2) Uani d . 1 . . O
O3 0.03594(7) 0.30544(3) 0.43393(16) 0.0251(2) Uani d . 1 . . O
O4 0.45223(7) 0.30789(3) 0.57339(18) 0.0291(2) Uani d . 1 . . O
F1 0.27048(9) 0.50546(3) 1.01595(18) 0.0560(3) Uani d . 1 . . F
F2 0.0000 0.49109(4) 0.2500 0.0540(4) Uani d S 1 . . F
F3 0.5000 0.49354(4) 0.7500 0.0590(5) Uani d S 1 . . F
C1 0.21670(10) 0.33954(4) 0.9896(2) 0.0229(3) Uani d . 1 . . C
C2 0.23177(10) 0.38393(4) 0.9968(2) 0.0234(3) Uani d . 1 . . C
C3 0.17330(11) 0.40959(5) 1.0425(3) 0.0299(3) Uani d . 1 . . C
H3A 0.1239 0.3989 1.0688 0.036 Uiso calc R 1 . . H
C4 0.18627(12) 0.45061(5) 1.0503(3) 0.0367(4) Uani d . 1 . . C
H4A 0.1469 0.4681 1.0836 0.044 Uiso calc R 1 . . H
C5 0.25735(11) 0.46525(5) 1.0087(2) 0.0369(4) Uani d . 1 . . C
C6 0.31642(12) 0.44119(5) 0.9612(3) 0.0399(4) Uani d . 1 . . C
H6A 0.3648 0.4523 0.9321 0.048 Uiso calc R 1 . . H
C7 0.30349(11) 0.40006(5) 0.9568(3) 0.0322(3) Uani d . 1 . . C
H7A 0.3440 0.3828 0.9262 0.039 Uiso calc R 1 . . H
C8 0.0000 0.32280(6) 0.2500 0.0195(4) Uani d S 1 . . C
C9 0.0000 0.36805(6) 0.2500 0.0214(4) Uani d S 1 . . C
C10 0.05339(10) 0.38922(5) 0.4370(2) 0.0282(3) Uani d . 1 . . C
H10A 0.0897 0.3751 0.5662 0.034 Uiso calc R 1 . . H
C11 0.05441(12) 0.43078(5) 0.4381(3) 0.0368(4) Uani d . 1 . . C
H11A 0.0916 0.4452 0.5650 0.044 Uiso calc R 1 . . H
C12 0.0000 0.45025(7) 0.2500 0.0353(5) Uani d S 1 . . C
C13 0.5000 0.32551(6) 0.7500 0.0215(4) Uani d S 1 . . C
C14 0.5000 0.37072(6) 0.7500 0.0230(4) Uani d S 1 . . C
C15 0.45117(11) 0.39170(5) 0.5582(3) 0.0311(3) Uani d . 1 . . C
H15A 0.4178 0.3775 0.4263 0.037 Uiso calc R 1 . . H
C16 0.45067(12) 0.43336(5) 0.5578(3) 0.0407(4) Uani d . 1 . . C
H16A 0.4169 0.4479 0.4274 0.049 Uiso calc R 1 . . H
C17 0.5000 0.45281(7) 0.7500 0.0384(5) Uani d S 1 . . C
O1W 0.0000 0.23282(5) 0.7500 0.0297(3) Uani d S 1 . . O
H1W 0.0088(14) 0.2167(6) 0.662(3) 0.048(6) Uiso d . 1 . . H
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 Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O3 Na1 O3 . 2_556 177.34(6) y
O3 Na1 O2 2_556 . 85.08(4) n
O3 Na1 O2 . . 95.66(4) y
O3 Na1 O2 2_556 2_556 95.66(4) n
O3 Na1 O2 . 2_556 85.08(4) y
O2 Na1 O2 . 2_556 147.85(6) y
O3 Na1 O1W 2_556 . 88.67(3) n
O3 Na1 O1W . . 88.67(3) y
O2 Na1 O1W . . 106.07(3) y
O2 Na1 O1W 2_556 . 106.08(3) n
N1 Co1 N2 . . 89.61(5) y
N1 Co1 N3 . . 88.06(5) y
N2 Co1 N3 . . 91.93(5) y
N1 Co1 N1 . 7_556 180.0 y
N2 Co1 N2 . 7_556 180.0 y
N3 Co1 N3 . 7_556 180.0 y
N1 Co1 N2 . 7_556 90.39(5) y
N1 Co1 N3 . 7_556 91.94(5) y
N3 Co1 N2 . 7_556 88.07(5) y
N3 Co1 N2 7_556 . 88.06(5) n
N1 Co1 N2 7_556 . 90.39(5) n
N1 Co1 N3 7_556 . 91.94(5) n
N1 Co1 N3 7_556 7_556 88.06(5) n
N1 Co1 N2 7_556 7_556 89.61(5) n
N3 Co1 N2 7_556 7_556 91.94(5) n
Co1 N1 H12 . . 109.0(13) n
Co1 N1 H11 . . 114.2(15) n
H12 N1 H11 . . 111.0(19) n
Co1 N1 H13 . . 109.6(12) n
H12 N1 H13 . . 106.5(17) n
H11 N1 H13 . . 106(2) n
Co1 N2 O3 . . 84.90(4) n
Co1 N2 H21 . . 114.0(13) n
O3 N2 H21 . . 55.4(13) n
Co1 N2 H22 . . 108.7(12) n
O3 N2 H22 . . 163.5(12) n
H21 N2 H22 . . 109.1(18) n
Co1 N2 H23 . . 109.8(12) n
O3 N2 H23 . . 76.9(13) n
H21 N2 H23 . . 108.9(19) n
H22 N2 H23 . . 106.0(18) n
Co1 N3 H31 . . 110.7(12) n
Co1 N3 H32 . . 111.4(12) n
H31 N3 H32 . . 106.4(18) n
Co1 N3 H33 . . 112.7(17) n
H31 N3 H33 . . 109.3(18) n
H32 N3 H33 . . 106.1(18) n
C1 O2 Na1 . . 137.87(9) n
C8 O3 Na1 . . 130.32(7) n
C8 O3 N2 . . 100.93(6) n
Na1 O3 N2 . . 118.75(4) n
O1 C1 O2 . . 124.00(14) n
O1 C1 C2 . . 117.78(13) n
O2 C1 C2 . . 118.22(13) n
C3 C2 C7 . . 119.01(15) n
C3 C2 C1 . . 120.04(13) n
C7 C2 C1 . . 120.94(14) n
C4 C3 C2 . . 120.82(15) n
C4 C3 H3A . . 119.6 n
C2 C3 H3A . . 119.6 n
C5 C4 C3 . . 118.27(16) n
C5 C4 H4A . . 120.9 n
C3 C4 H4A . . 120.9 n
F1 C5 C4 . . 118.61(16) n
F1 C5 C6 . . 118.34(15) n
C4 C5 C6 . . 123.05(16) n
C5 C6 C7 . . 118.19(16) n
C5 C6 H6A . . 120.9 n
C7 C6 H6A . . 120.9 n
C6 C7 C2 . . 120.64(15) n
C6 C7 H7A . . 119.7 n
C2 C7 H7A . . 119.7 n
O3 C8 O3 2 . 125.01(18) n
O3 C8 C9 2 . 117.49(9) n
O3 C8 C9 . . 117.49(9) n
C10 C9 C10 . 2 118.77(19) n
C10 C9 C8 . . 120.61(9) n
C10 C9 C8 2 . 120.61(9) n
C11 C10 C9 . . 121.04(14) n
C11 C10 H10A . . 119.5 n
C9 C10 H10A . . 119.5 n
C12 C11 C10 . . 117.91(15) n
C12 C11 H11A . . 121.0 n
C10 C11 H11A . . 121.0 n
F2 C12 C11 . 2 118.35(11) n
F2 C12 C11 . . 118.35(11) n
C11 C12 C11 2 . 123.3(2) n
O4 C13 O4 . 2_656 124.32(18) n
O4 C13 C14 . . 117.84(9) n
O4 C13 C14 2_656 . 117.84(9) n
C15 C14 C15 2_656 . 119.28(19) n
C15 C14 C13 2_656 . 120.36(10) n
C15 C14 C13 . . 120.36(10) n
C14 C15 C16 . . 120.54(15) n
C14 C15 H15A . . 119.7 n
C16 C15 H15A . . 119.7 n
C17 C16 C15 . . 118.22(16) n
C17 C16 H16A . . 120.9 n
C15 C16 H16A . . 120.9 n
F3 C17 C16 . 2_656 118.40(11) n
F3 C17 C16 . . 118.41(11) n
C16 C17 C16 2_656 . 123.2(2) n
Na1 O1W H1W . . 129.9(14) n
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Co1 N1 . 1.9510(12) y
Co1 N1 7_556 1.9511(12) n
Co1 N3 7_556 1.9562(12) n
Co1 N3 . 1.9562(12) y
Co1 N2 7_556 1.9642(13) n
Co1 N2 . 1.9643(13) y
Na1 O3 2_556 2.3444(10) n
Na1 O3 . 2.3444(10) y
Na1 O2 . 2.3861(10) y
Na1 O2 2_556 2.3862(10) n
Na1 O1W . 2.4834(19) y
N1 H12 . 0.870(10) n
N1 H11 . 0.870(10) n
N1 H13 . 0.880(10) n
N2 H21 . 0.880(10) n
N2 H22 . 0.880(10) n
N2 H23 . 0.880(10) n
N3 H31 . 0.880(10) n
N3 H32 . 0.880(10) n
N3 H33 . 0.860(10) n
O1 C1 . 1.2635(19) n
O2 C1 . 1.2640(18) n
O3 C8 . 1.2578(13) n
O4 C13 . 1.2623(14) n
F1 C5 . 1.3598(19) n
F2 C12 . 1.366(3) n
F3 C17 . 1.363(3) n
C1 C2 . 1.503(2) n
C2 C3 . 1.391(2) n
C2 C7 . 1.392(2) n
C3 C4 . 1.386(2) n
C3 H3A . 0.950 n
C4 C5 . 1.369(2) n
C4 H4A . 0.950 n
C5 C6 . 1.373(3) n
C6 C7 . 1.390(2) n
C6 H6A . 0.950 n
C7 H7A . 0.950 n
C8 O3 2 1.2578(13) n
C8 C9 . 1.514(3) n
C9 C10 . 1.3904(17) n
C9 C10 2 1.3904(17) n
C10 C11 . 1.390(2) n
C10 H10A . 0.950 n
C11 C12 . 1.372(2) n
C11 H11A . 0.950 n
C12 C11 2 1.372(2) n
C13 O4 2_656 1.2623(14) n
C13 C14 . 1.512(3) n
C14 C15 2_656 1.3885(18) n
C14 C15 . 1.3886(18) n
C15 C16 . 1.394(2) n
C15 H15A . 0.950 n
C16 C17 . 1.367(2) n
C16 H16A . 0.950 n
C17 C16 2_656 1.367(2) n
O1W H1W . 0.84(2) n
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N1 H12 O3 7_556 0.870(10) 2.110(10) 2.8962(15) 150(2) y
N1 H11 O1 1_554 0.870(10) 2.270(10) 3.1000(16) 159(2) y
N1 H13 O1 7_556 0.880(10) 2.060(10) 2.9124(16) 163(2) y
N2 H21 O2 1_554 0.880(10) 2.38(2) 3.1357(15) 144(2) y
N2 H22 O4 . 0.880(10) 2.200(10) 3.0108(16) 153(2) y
N2 H23 O1 . 0.870(10) 2.160(10) 2.9867(16) 158(2) y
N3 H31 O2 1_554 0.880(10) 2.100(10) 2.9730(15) 174(2) y
N3 H32 O1 7_556 0.880(10) 2.350(10) 3.1335(16) 149(2) y
N3 H33 O4 7_556 0.860(10) 2.43(2) 3.0481(16) 129(2) y
O1W H1W O4 7_556 0.84(2) 2.04(2) 2.8519(14) 163(2) y
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N1 Co1 N2 O3 . . 138.16(4) n
N1 Co1 N2 O3 7_556 . -41.84(4) n
N3 Co1 N2 O3 7_556 . -129.89(4) n
N3 Co1 N2 O3 . . 50.11(4) n
O3 Na1 O2 C1 2_556 . -171.04(14) n
O3 Na1 O2 C1 . . 11.53(15) n
O2 Na1 O2 C1 2_556 . -78.23(14) n
O1W Na1 O2 C1 . . 101.77(14) n
O2 Na1 O3 C8 . . -125.27(12) n
O2 Na1 O3 C8 2_556 . 22.45(13) n
O1W Na1 O3 C8 . . 128.71(12) n
O2 Na1 O3 N2 . . 13.26(6) n
O2 Na1 O3 N2 2_556 . 160.98(5) n
O1W Na1 O3 N2 . . -92.76(4) n
Co1 N2 O3 C8 . . -118.57(10) n
Co1 N2 O3 Na1 . . 92.37(5) n
Na1 O2 C1 O1 . . -85.45(18) n
Na1 O2 C1 C2 . . 94.87(15) n
O1 C1 C2 C3 . . -171.65(13) n
O2 C1 C2 C3 . . 8.05(19) n
O1 C1 C2 C7 . . 8.78(19) n
O2 C1 C2 C7 . . -171.53(13) n
C7 C2 C3 C4 . . -0.5(2) n
C1 C2 C3 C4 . . 179.88(13) n
C2 C3 C4 C5 . . 0.9(2) n
C3 C4 C5 F1 . . 179.98(14) n
C3 C4 C5 C6 . . -0.4(2) n
F1 C5 C6 C7 . . 179.17(14) n
C4 C5 C6 C7 . . -0.4(2) n
C5 C6 C7 C2 . . 0.8(2) n
C3 C2 C7 C6 . . -0.3(2) n
C1 C2 C7 C6 . . 179.24(14) n
Na1 O3 C8 O3 . 2 -118.43(11) n
N2 O3 C8 O3 . 2 97.82(5) n
Na1 O3 C8 C9 . . 61.58(11) n
N2 O3 C8 C9 . . -82.18(4) n
O3 C8 C9 C10 2 . -166.91(9) n
O3 C8 C9 C10 . . 13.08(9) n
O3 C8 C9 C10 2 2 13.09(9) n
O3 C8 C9 C10 . 2 -166.91(9) n
C10 C9 C10 C11 2 . -0.54(12) n
C8 C9 C10 C11 . . 179.46(12) n
C9 C10 C11 C12 . . 1.0(2) n
C10 C11 C12 F2 . . 179.49(11) n
C10 C11 C12 C11 . 2 -0.51(11) n
O4 C13 C14 C15 . 2_656 177.76(10) n
O4 C13 C14 C15 2_656 2_656 -2.24(10) n
O4 C13 C14 C15 . . -2.24(10) n
O4 C13 C14 C15 2_656 . 177.76(10) n
C15 C14 C15 C16 2_656 . -0.29(12) n
C13 C14 C15 C16 . . 179.71(12) n
C14 C15 C16 C17 . . 0.6(2) n
C15 C16 C17 F3 . . 179.72(12) n
C15 C16 C17 C16 . 2_656 -0.28(12) n
