#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:57:02 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178830 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/84/4108429.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_4108429
loop_
_publ_author_name
'Ivan E. Kareev'
'Alexey A. Popov'
'Igor V. Kuvychko'
'Natalia B. Shustova'
'Sergey F. Lebedkin'
'Vyachevslav P. Bubnov'
'Oren P. Anderson'
'Konrad Seppelt'
'Steven H. Strauss'
'Olga V. Boltalina'
_publ_section_title
;
 Synthesis and X-ray or NMR/DFT Structure Elucidation of Twenty-One New
 Trifluoromethyl Derivatives of Soluble Cage Isomers of C76, C78, C84, and
 C90
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13471
_journal_page_last               13489
_journal_paper_doi               10.1021/ja8041614
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         'C88 F30'
_chemical_formula_sum            'C88 F30'
_chemical_formula_weight         1626.88
_chemical_name_systematic
; 
 ? 
;
_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   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.447(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.8603(7)
_cell_length_b                   11.1601(4)
_cell_length_c                   22.9338(7)
_cell_measurement_reflns_used    9955
_cell_measurement_temperature    100(1)
_cell_measurement_theta_max      32.06
_cell_measurement_theta_min      2.58
_cell_volume                     5886.3(3)
_computing_cell_refinement       'APEX2, v. 2.0-2, Bruker AXS, 2006'
_computing_data_collection       'APEX2, v. 2.0-2, Bruker AXS, 2006'
_computing_data_reduction        'APEX2, v. 2.0-2, Bruker AXS, 2006'
_computing_molecular_graphics    'SHELXTL, v. 6.14, Bruker AXS'
_computing_publication_material  'SHELXTL, v. 6.14, Bruker AXS'
_computing_structure_refinement  'SHELXTL, v. 6.14, Bruker AXS'
_computing_structure_solution    'SHELXTL, v. 6.14, Bruker AXS'
_diffrn_ambient_temperature      100(1)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Kappa APEX II diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0437
_diffrn_reflns_av_sigmaI/netI    0.0236
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            48610
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.77
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.174
_exptl_absorpt_correction_T_max  0.9611
_exptl_absorpt_correction_T_min  0.9194
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, v. 2.10, Bruker AXS, Madison, WI'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.836
_exptl_crystal_description       plate
_exptl_crystal_F_000             3192
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.23
_platon_squeeze_details
;
;
_refine_diff_density_max         0.417
_refine_diff_density_min         -0.282
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     533
_refine_ls_number_reflns         6023
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0491
_refine_ls_R_factor_gt           0.0441
_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)+(0.0718P)²+8.2998P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1195
_refine_ls_wR_factor_ref         0.1230
_reflns_number_gt                5273
_reflns_number_total             6023
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja8041614_si_002.cif
_cod_data_source_block           ss206
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4108429
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_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
C1 C 0.15190(8) 0.44373(18) 0.17494(8) 0.0205(4) Uani 1 1 d
C2 C 0.15973(7) 0.57027(18) 0.18417(8) 0.0195(4) Uani 1 1 d
C3 C 0.12316(8) 0.65139(17) 0.14477(8) 0.0187(4) Uani 1 1 d
C4 C 0.07699(8) 0.60756(17) 0.09511(8) 0.0180(4) Uani 1 1 d
C5 C 0.06942(8) 0.48504(18) 0.08600(8) 0.0194(4) Uani 1 1 d
C6 C 0.10740(8) 0.40125(18) 0.12655(8) 0.0203(4) Uani 1 1 d
C7 C 0.07281(8) 0.30269(17) 0.13646(8) 0.0197(4) Uani 1 1 d
C8 C 0.08645(8) 0.24873(16) 0.19276(8) 0.0199(4) Uani 1 1 d
C9 C 0.13408(8) 0.28813(17) 0.24161(8) 0.0200(4) Uani 1 1 d
C10 C 0.16532(8) 0.38566(18) 0.23335(8) 0.0198(4) Uani 1 1 d
C11 C 0.18949(7) 0.47712(17) 0.28379(8) 0.0194(4) Uani 1 1 d
C12 C 0.17833(7) 0.59481(18) 0.24760(8) 0.0190(4) Uani 1 1 d
C13 C 0.16046(7) 0.69713(17) 0.26895(8) 0.0175(4) Uani 1 1 d
C14 C 0.12042(7) 0.77534(16) 0.22947(8) 0.0169(4) Uani 1 1 d
C15 C -0.10350(7) 0.75553(16) 0.33168(8) 0.0168(4) Uani 1 1 d
C16 C -0.04387(8) 0.79591(17) 0.37068(8) 0.0172(4) Uani 1 1 d
C17 C -0.02816(8) 0.68753(16) 0.41367(7) 0.0164(4) Uani 1 1 d
C18 C 0.02647(8) 0.64079(16) 0.43011(7) 0.0162(4) Uani 1 1 d
C19 C -0.03478(8) 0.51421(16) 0.06547(7) 0.0169(4) Uani 1 1 d
C20 C 0.01171(8) 0.43648(17) 0.07238(8) 0.0184(4) Uani 1 1 d
C21 C 0.01208(8) 0.32633(16) 0.10501(8) 0.0182(4) Uani 1 1 d
C22 C -0.03363(8) 0.29531(16) 0.12967(8) 0.0183(4) Uani 1 1 d
C23 C -0.01919(8) 0.22354(16) 0.18504(8) 0.0189(4) Uani 1 1 d
C24 C 0.04040(8) 0.20943(16) 0.21711(8) 0.0190(4) Uani 1 1 d
C25 C 0.05843(8) 0.21545(16) 0.28047(8) 0.0191(4) Uani 1 1 d
C26 C 0.12136(8) 0.25817(17) 0.30173(8) 0.0197(4) Uani 1 1 d
C27 C 0.12317(8) 0.37183(17) 0.34055(8) 0.0178(4) Uani 1 1 d
C28 C 0.15313(7) 0.47555(17) 0.33089(8) 0.0178(4) Uani 1 1 d
C29 C 0.14347(7) 0.58770(17) 0.35764(8) 0.0163(3) Uani 1 1 d
C30 C 0.15537(7) 0.71016(17) 0.33321(8) 0.0175(4) Uani 1 1 d
C31 C 0.09805(7) 0.78377(16) 0.32202(8) 0.0159(3) Uani 1 1 d
C32 C 0.07991(7) 0.81844(16) 0.26171(8) 0.0154(3) Uani 1 1 d
C33 C 0.01976(7) 0.83324(16) 0.23140(8) 0.0151(3) Uani 1 1 d
C34 C 0.00051(7) 0.80828(15) 0.33293(8) 0.0151(3) Uani 1 1 d
C35 C 0.05847(7) 0.77588(16) 0.35778(8) 0.0156(3) Uani 1 1 d
C36 C 0.07854(8) 0.69965(16) 0.41551(8) 0.0166(4) Uani 1 1 d
C37 C 0.10977(7) 0.58847(16) 0.39807(7) 0.0160(3) Uani 1 1 d
C38 C -0.08238(8) 0.48317(17) 0.08971(7) 0.0168(4) Uani 1 1 d
C39 C -0.08422(8) 0.37563(17) 0.12139(8) 0.0179(4) Uani 1 1 d
C79 C 0.15721(9) 0.15228(18) 0.33545(9) 0.0245(4) Uani 1 1 d
C80 C 0.25508(8) 0.4583(2) 0.31320(9) 0.0262(4) Uani 1 1 d
C81 C 0.21101(8) 0.77371(18) 0.37323(9) 0.0219(4) Uani 1 1 d
C82 C 0.11387(8) 0.76866(18) 0.47238(8) 0.0208(4) Uani 1 1 d
C83 C -0.04973(8) 0.91519(18) 0.40203(8) 0.0215(4) Uani 1 1 d
F791 F 0.21342(6) 0.17328(13) 0.35519(6) 0.0385(3) Uani 1 1 d
F792 F 0.13820(6) 0.11997(11) 0.38311(5) 0.0306(3) Uani 1 1 d
F793 F 0.14979(6) 0.05786(11) 0.29776(6) 0.0326(3) Uani 1 1 d
F801 F 0.26795(5) 0.34695(13) 0.33063(7) 0.0377(3) Uani 1 1 d
F802 F 0.27446(6) 0.52777(15) 0.36156(8) 0.0509(4) Uani 1 1 d
F803 F 0.28526(5) 0.48567(16) 0.27408(7) 0.0516(5) Uani 1 1 d
F811 F 0.25669(5) 0.75727(13) 0.35079(6) 0.0347(3) Uani 1 1 d
F812 F 0.22611(5) 0.73137(11) 0.42975(5) 0.0276(3) Uani 1 1 d
F813 F 0.20336(5) 0.89108(11) 0.37586(5) 0.0287(3) Uani 1 1 d
F821 F 0.14333(5) 0.86050(11) 0.45855(5) 0.0289(3) Uani 1 1 d
F822 F 0.15154(5) 0.69499(11) 0.50921(5) 0.0276(3) Uani 1 1 d
F823 F 0.07937(5) 0.81254(11) 0.50457(5) 0.0272(3) Uani 1 1 d
F831 F 0.00157(5) 0.95873(11) 0.43317(5) 0.0308(3) Uani 1 1 d
F832 F -0.08294(6) 0.90342(12) 0.44027(6) 0.0328(3) Uani 1 1 d
F833 F -0.07445(6) 0.99792(11) 0.36095(5) 0.0293(3) 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 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
C6 C1 C2 119.53(17) . .
C6 C1 C10 121.16(18) . .
C2 C1 C10 108.49(17) . .
C3 C2 C12 120.12(17) . .
C3 C2 C1 120.37(17) . .
C12 C2 C1 109.38(16) . .
C2 C3 C15 119.75(17) . 2
C2 C3 C4 120.10(18) . .
C15 C3 C4 108.60(16) 2 .
C5 C4 C17 121.47(17) . 2
C5 C4 C3 119.62(17) . .
C17 C4 C3 108.65(16) 2 .
C4 C5 C20 118.94(17) . .
C4 C5 C6 120.25(17) . .
C20 C5 C6 107.17(16) . .
C1 C6 C7 118.90(16) . .
C1 C6 C5 120.13(18) . .
C7 C6 C5 107.98(16) . .
C8 C7 C6 118.77(18) . .
C8 C7 C21 119.73(17) . .
C6 C7 C21 108.75(16) . .
C7 C8 C24 118.99(17) . .
C7 C8 C9 122.40(18) . .
C24 C8 C9 108.68(16) . .
C10 C9 C8 119.03(17) . .
C10 C9 C26 123.33(17) . .
C8 C9 C26 109.36(16) . .
C9 C10 C1 119.57(17) . .
C9 C10 C11 122.45(16) . .
C1 C10 C11 110.26(17) . .
C10 C11 C12 100.65(14) . .
C10 C11 C80 111.85(15) . .
C12 C11 C80 111.17(15) . .
C10 C11 C28 110.41(15) . .
C12 C11 C28 109.62(14) . .
C80 C11 C28 112.52(15) . .
C13 C12 C2 119.12(17) . .
C13 C12 C11 123.39(16) . .
C2 C12 C11 110.34(17) . .
C12 C13 C14 120.55(17) . .
C12 C13 C30 123.08(16) . .
C14 C13 C30 110.16(15) . .
C15 C14 C13 121.07(17) 2 .
C15 C14 C32 121.46(16) 2 .
C13 C14 C32 107.74(15) . .
C14 C15 C3 119.11(16) 2 2
C14 C15 C16 121.63(16) 2 .
C3 C15 C16 111.71(16) 2 .
C15 C16 C83 109.97(15) . .
C15 C16 C34 111.61(14) . .
C83 C16 C34 110.29(15) . .
C15 C16 C17 99.92(14) . .
C83 C16 C17 114.65(14) . .
C34 C16 C17 110.05(14) . .
C18 C17 C4 118.78(17) . 2
C18 C17 C16 121.97(15) . .
C4 C17 C16 110.32(15) 2 .
C17 C18 C19 120.28(16) . 2
C17 C18 C36 123.53(16) . .
C19 C18 C36 109.72(15) 2 .
C20 C19 C18 121.38(17) . 2
C20 C19 C38 119.86(17) . .
C18 C19 C38 108.74(15) 2 .
C19 C20 C5 118.80(17) . .
C19 C20 C21 119.28(16) . .
C5 C20 C21 109.71(16) . .
C22 C21 C20 121.64(16) . .
C22 C21 C7 122.22(16) . .
C20 C21 C7 106.21(16) . .
C21 C22 C23 117.24(17) . .
C21 C22 C39 119.80(17) . .
C23 C22 C39 116.11(16) . .
C25 C23 C24 115.66(17) 2 .
C25 C23 C22 119.63(17) 2 .
C24 C23 C22 118.72(17) . .
C25 C24 C23 121.19(17) . .
C25 C24 C8 109.57(17) . .
C23 C24 C8 122.02(17) . .
C23 C25 C24 121.95(18) 2 .
C23 C25 C26 123.80(17) 2 .
C24 C25 C26 110.49(16) . .
C9 C26 C25 101.26(15) . .
C9 C26 C79 113.84(15) . .
C25 C26 C79 106.75(16) . .
C9 C26 C27 111.07(15) . .
C25 C26 C27 108.35(15) . .
C79 C26 C27 114.47(15) . .
C28 C27 C39 120.62(17) . 2
C28 C27 C26 121.45(16) . .
C39 C27 C26 116.87(16) 2 .
C27 C28 C29 120.13(16) . .
C27 C28 C11 121.26(16) . .
C29 C28 C11 117.94(16) . .
C37 C29 C28 118.69(16) . .
C37 C29 C30 115.99(16) . .
C28 C29 C30 123.61(15) . .
C13 C30 C29 109.89(15) . .
C13 C30 C31 100.63(14) . .
C29 C30 C31 106.91(14) . .
C13 C30 C81 109.72(14) . .
C29 C30 C81 113.57(14) . .
C31 C30 C81 115.30(15) . .
C32 C31 C35 121.15(16) . .
C32 C31 C30 109.76(15) . .
C35 C31 C30 124.52(15) . .
C31 C32 C33 121.54(16) . .
C31 C32 C14 110.04(16) . .
C33 C32 C14 120.76(16) . .
C32 C33 C33 116.52(19) . 2
C32 C33 C34 119.48(16) . 2
C33 C33 C34 120.80(19) 2 2
C35 C34 C33 119.36(15) . 2
C35 C34 C16 120.09(15) . .
C33 C34 C16 119.67(15) 2 .
C34 C35 C31 119.41(16) . .
C34 C35 C36 122.81(15) . .
C31 C35 C36 115.61(15) . .
C18 C36 C35 110.07(14) . .
C18 C36 C37 100.83(14) . .
C35 C36 C37 106.30(13) . .
C18 C36 C82 108.77(14) . .
C35 C36 C82 115.00(15) . .
C37 C36 C82 114.91(14) . .
C29 C37 C38 120.86(17) . 2
C29 C37 C36 125.69(16) . .
C38 C37 C36 109.58(15) 2 .
C37 C38 C39 121.86(16) 2 .
C37 C38 C19 109.46(16) 2 .
C39 C38 C19 122.83(17) . .
C38 C39 C27 116.92(17) . 2
C38 C39 C22 116.56(16) . .
C27 C39 C22 122.97(16) 2 .
F791 C79 F792 107.60(16) . .
F791 C79 F793 107.94(16) . .
F792 C79 F793 107.36(16) . .
F791 C79 C26 114.48(17) . .
F792 C79 C26 110.65(15) . .
F793 C79 C26 108.55(16) . .
F801 C80 F803 107.33(17) . .
F801 C80 F802 107.19(17) . .
F803 C80 F802 107.39(19) . .
F801 C80 C11 112.84(17) . .
F803 C80 C11 110.05(16) . .
F802 C80 C11 111.79(16) . .
F813 C81 F812 108.07(16) . .
F813 C81 F811 106.83(15) . .
F812 C81 F811 106.77(15) . .
F813 C81 C30 111.59(15) . .
F812 C81 C30 112.04(15) . .
F811 C81 C30 111.27(16) . .
F821 C82 F823 106.99(16) . .
F821 C82 F822 108.38(15) . .
F823 C82 F822 106.57(15) . .
F821 C82 C36 112.65(14) . .
F823 C82 C36 111.63(15) . .
F822 C82 C36 110.36(15) . .
F831 C83 F832 107.73(15) . .
F831 C83 F833 107.16(16) . .
F832 C83 F833 107.62(15) . .
F831 C83 C16 112.41(16) . .
F832 C83 C16 111.45(16) . .
F833 C83 C16 110.25(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.398(3) .
C1 C2 1.433(3) .
C1 C10 1.445(3) .
C2 C3 1.406(3) .
C2 C12 1.430(3) .
C3 C15 1.413(3) 2
C3 C4 1.443(3) .
C4 C5 1.388(3) .
C4 C17 1.439(3) 2
C5 C20 1.435(3) .
C5 C6 1.453(3) .
C6 C7 1.429(3) .
C7 C8 1.383(3) .
C7 C21 1.460(3) .
C8 C24 1.428(3) .
C8 C9 1.436(3) .
C9 C10 1.361(3) .
C9 C26 1.526(2) .
C10 C11 1.535(3) .
C11 C12 1.539(3) .
C11 C80 1.545(2) .
C11 C28 1.555(2) .
C12 C13 1.355(3) .
C13 C14 1.426(2) .
C13 C30 1.518(2) .
C14 C15 1.370(3) 2
C14 C32 1.447(2) .
C15 C14 1.370(3) 2
C15 C3 1.413(3) 2
C15 C16 1.533(2) .
C16 C83 1.537(3) .
C16 C34 1.542(2) .
C16 C17 1.542(3) .
C17 C18 1.361(3) .
C17 C4 1.439(3) 2
C18 C19 1.426(3) 2
C18 C36 1.519(2) .
C19 C20 1.384(3) .
C19 C18 1.426(3) 2
C19 C38 1.434(3) .
C20 C21 1.438(3) .
C21 C22 1.399(3) .
C22 C23 1.463(3) .
C22 C39 1.475(3) .
C23 C25 1.380(3) 2
C23 C24 1.425(3) .
C24 C25 1.403(3) .
C25 C23 1.380(3) 2
C25 C26 1.526(3) .
C26 C79 1.541(3) .
C26 C27 1.544(3) .
C27 C28 1.409(3) .
C27 C39 1.435(2) 2
C28 C29 1.439(3) .
C29 C37 1.380(2) .
C29 C30 1.532(3) .
C30 C31 1.557(2) .
C30 C81 1.568(2) .
C31 C32 1.390(2) .
C31 C35 1.409(2) .
C32 C33 1.428(2) .
C33 C33 1.430(3) 2
C33 C34 1.452(2) 2
C34 C35 1.396(2) .
C34 C33 1.452(2) 2
C35 C36 1.539(2) .
C36 C37 1.554(3) .
C36 C82 1.555(2) .
C37 C38 1.409(3) 2
C38 C37 1.409(3) 2
C38 C39 1.410(3) .
C39 C27 1.435(2) 2
C79 F791 1.317(2) .
C79 F792 1.340(2) .
C79 F793 1.344(2) .
C80 F801 1.317(2) .
C80 F803 1.327(2) .
C80 F802 1.331(3) .
C81 F813 1.326(2) .
C81 F812 1.336(2) .
C81 F811 1.336(2) .
C82 F821 1.328(2) .
C82 F823 1.337(2) .
C82 F822 1.339(2) .
C83 F831 1.333(2) .
C83 F832 1.336(2) .
C83 F833 1.339(2) .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.250 -0.250 0.000 164.6 62.0
2 0.750 0.250 0.000 164.6 62.0
3 0.500 0.026 0.250 46.6 -0.4
4 0.750 -0.250 0.500 164.6 61.9
5 0.250 0.250 0.500 164.6 61.9
6 0.500 -0.026 0.750 46.6 -0.5
7 1.000 0.474 0.750 46.5 -0.5
8 0.000 0.526 0.250 46.6 -0.4
