#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/08/2200837.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_2200837
loop_
_publ_author_name
'Jones, Peter G.'
'Terroba, Raquel'
'Fernández, Eduardo'
'Laguna, Mariano'
_publ_section_title
;
 Tris(pentafluorophenyl)[2-(diphenylphosphino)thiophenol-κP]gold(III)
 dichloromethane solvate
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m90
_journal_page_last               m92
_journal_paper_doi               10.1107/S1600536802002404
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Au (C6 F5)3 (C18 H15 P1 S1)], C H2 Cl2'
_chemical_formula_moiety         'C36 H15 Au F15 P S , C H2 Cl2'
_chemical_formula_sum            'C37 H17 Au Cl2 F15 P S'
_chemical_formula_weight         1077.40
_chemical_name_systematic
;
 Tris(pentafluorophenyl)-(2-diphenylphosphinethiophenyl)-
 gold(III) Dichloromethane Solvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.64(3)
_cell_angle_beta                 94.41(3)
_cell_angle_gamma                106.84(3)
_cell_formula_units_Z            2
_cell_length_a                   10.057(4)
_cell_length_b                   12.888(5)
_cell_length_c                   15.236(7)
_cell_measurement_reflns_used    52
_cell_measurement_temperature    143(2)
_cell_measurement_theta_max      11.5
_cell_measurement_theta_min      10
_cell_volume                     1839.7(14)
_computing_cell_refinement       DIF4
_computing_data_collection       'DIF4 (Stoe & Cie, 1992)'
_computing_data_reduction        'REDU4(Stoe & Cie, 1992)'
_computing_molecular_graphics    'XP (Siemens, 1994)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      143(2)
_diffrn_measured_fraction_theta_full .997
_diffrn_measured_fraction_theta_max .997
_diffrn_measurement_device_type  'Stoe STADI-4'
_diffrn_measurement_method       ω/θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0287
_diffrn_reflns_av_sigmaI/netI    .0436
_diffrn_reflns_limit_h_max       2
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8252
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.11
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.349
_exptl_absorpt_correction_T_max  .960
_exptl_absorpt_correction_T_min  .527
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(XEMP; Siemens, 1994)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.945
_exptl_crystal_density_meas      ?
_exptl_crystal_description       tablet
_exptl_crystal_F_000             1036
_exptl_crystal_size_max          .4
_exptl_crystal_size_mid          .4
_exptl_crystal_size_min          .12
_refine_diff_density_max         .867
_refine_diff_density_min         -.696
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     525
_refine_ls_number_reflns         6462
_refine_ls_number_restraints     539
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          .0371
_refine_ls_R_factor_gt           .0316
_refine_ls_shift/su_max          .022
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0287P)²+2.7433P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          .0692
_refine_ls_wR_factor_ref         .0722
_reflns_number_gt                5909
_reflns_number_total             6462
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bt6109.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (8 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (8
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (12 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1839.7(13)
_cod_database_code               2200837
_cod_database_fobs_code          2200837
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Au .262103(19) .262949(14) .245452(12) .02538(7) Uani d . 1 . . Au
P .50348(13) .36196(9) .24720(8) .0264(3) Uani d . 1 . . P
S .41358(17) .53589(12) .38648(10) .0496(4) Uani d D 1 . . S
H0 .331(5) .599(4) .403(4) .060 Uiso d D 1 . . H
C11 .3085(5) .1467(4) .3082(3) .0367(11) Uani d DU 1 . . C
C12 .3054(5) .0439(4) .2633(4) .0417(12) Uani d DU 1 . . C
C13 .3224(6) -.0372(5) .3079(5) .0629(17) Uani d DU 1 . . C
C14 .3428(7) -.0139(5) .3999(5) .0675(17) Uani d DU 1 . . C
C15 .3447(7) .0869(6) .4473(4) .0608(16) Uani d DU 1 . . C
C16 .3287(5) .1661(5) .4018(4) .0428(12) Uani d DU 1 . . C
F1 .2818(4) .0173(2) .1722(2) .0561(9) Uani d DU 1 . . F
F2 .3188(5) -.1366(3) .2593(4) .0898(14) Uani d DU 1 . . F
F3 .3556(5) -.0929(4) .4434(4) .1088(19) Uani d DU 1 . . F
F4 .3634(4) .1103(4) .5382(3) .0877(14) Uani d DU 1 . . F
F5 .3338(4) .2658(3) .4506(2) .0541(9) Uani d DU 1 . . F
C21 .0553(5) .1675(3) .2302(3) .0286(10) Uani d DU 1 . . C
C22 -.0202(5) .1511(3) .3005(3) .0338(11) Uani d DU 1 . . C
C23 -.1572(5) .0840(4) .2873(4) .0369(11) Uani d DU 1 . . C
C24 -.2226(5) .0320(4) .2016(4) .0410(12) Uani d DU 1 . . C
C25 -.1498(5) .0447(4) .1297(3) .0374(11) Uani d DU 1 . . C
C26 -.0139(5) .1122(4) .1449(3) .0337(11) Uani d DU 1 . . C
F6 .0389(3) .2016(3) .38590(19) .0455(8) Uani d DU 1 . . F
F7 -.2286(4) .0662(3) .3576(2) .0582(9) Uani d DU 1 . . F
F8 -.3569(3) -.0331(3) .1889(3) .0628(10) Uani d DU 1 . . F
F9 -.2133(3) -.0082(3) .0460(2) .0547(9) Uani d DU 1 . . F
F10 .0545(3) .1251(2) .07291(19) .0445(7) Uani d DU 1 . . F
C31 .1900(5) .3751(4) .1898(3) .0280(10) Uani d DU 1 . . C
C32 .1136(5) .4339(4) .2356(3) .0335(11) Uani d DU 1 . . C
C33 .0735(5) .5165(4) .2051(4) .0370(11) Uani d DU 1 . . C
C34 .1094(6) .5412(4) .1252(4) .0433(13) Uani d DU 1 . . C
C35 .1818(6) .4817(4) .0748(4) .0413(12) Uani d DU 1 . . C
C36 .2183(5) .3992(4) .1079(3) .0326(11) Uani d DU 1 . . C
F11 .0737(3) .4129(2) .31484(19) .0396(7) Uani d DU 1 . . F
F12 .0011(4) .5727(3) .2543(2) .0560(9) Uani d DU 1 . . F
F13 .0734(4) .6214(3) .0941(3) .0641(10) Uani d DU 1 . . F
F14 .2148(4) .5033(3) -.0049(2) .0587(9) Uani d DU 1 . . F
F15 .2907(3) .3440(3) .0559(2) .0439(7) Uani d DU 1 . . F
C41 .5198(5) .4997(4) .2279(3) .0303(10) Uani d DU 1 . . C
C42 .4716(5) .5726(4) .2885(3) .0337(11) Uani d DU 1 . . C
C43 .4693(6) .6718(4) .2666(4) .0443(13) Uani d DU 1 . . C
H43 .4383 .7224 .3071 .053 Uiso calc R 1 . . H
C44 .5106(7) .6985(5) .1881(4) .0556(16) Uani d DU 1 . . C
H44 .5048 .7660 .1739 .067 Uiso calc R 1 . . H
C45 .5608(7) .6283(4) .1290(4) .0525(15) Uani d DU 1 . . C
H45 .5910 .6479 .0751 .063 Uiso calc R 1 . . H
C46 .5666(5) .5291(4) .1495(4) .0376(12) Uani d DU 1 . . C
H46 .6024 .4810 .1099 .045 Uiso calc R 1 . . H
C51 .6290(5) .3794(4) .3447(3) .0321(11) Uani d DU 1 . . C
C52 .7113(5) .4850(4) .3922(3) .0386(12) Uani d DU 1 . . C
H52 .6996 .5492 .3747 .046 Uiso calc R 1 . . H
C53 .8101(6) .4960(5) .4649(4) .0457(13) Uani d DU 1 . . C
H53 .8652 .5678 .4976 .055 Uiso calc R 1 . . H
C54 .8284(6) .4037(5) .4895(4) .0454(13) Uani d DU 1 . . C
H54 .8959 .4119 .5396 .054 Uiso calc R 1 . . H
C55 .7497(5) .2989(5) .4425(4) .0409(12) Uani d DU 1 . . C
H55 .7635 .2353 .4599 .049 Uiso calc R 1 . . H
C56 .6501(5) .2863(4) .3695(4) .0372(12) Uani d DU 1 . . C
H56 .5966 .2141 .3367 .045 Uiso calc R 1 . . H
C61 .5747(5) .2920(3) .1566(3) .0287(10) Uani d DU 1 . . C
C62 .4885(5) .2086(4) .0874(3) .0326(11) Uani d DU 1 . . C
H62 .3899 .1845 .0878 .039 Uiso calc R 1 . . H
C63 .5459(6) .1606(4) .0179(3) .0396(12) Uani d DU 1 . . C
H63 .4864 .1030 -.0292 .048 Uiso calc R 1 . . H
C64 .6889(6) .1950(4) .0157(4) .0415(12) Uani d DU 1 . . C
H64 .7273 .1623 -.0330 .050 Uiso calc R 1 . . H
C65 .7762(5) .2778(4) .0853(3) .0360(11) Uani d DU 1 . . C
H65 .8747 .3017 .0844 .043 Uiso calc R 1 . . H
C66 .7199(5) .3251(4) .1556(3) .0344(11) Uani d DU 1 . . C
H66 .7799 .3805 .2038 .041 Uiso calc R 1 . . H
C99 .111(4) .182(3) .6684(18) .107(11) Uiso d PDU .273(9) A 1 C
H99A .1105 .2552 .6567 .129 Uiso calc PR .273(9) A 1 H
H99B .2089 .1815 .6714 .129 Uiso calc PR .273(9) A 1 H
Cl1 .0205(15) .0863(15) .5775(10) .148(6) Uiso d PDU .273(9) A 1 Cl
Cl2 .065(4) .179(2) .7733(17) .206(11) Uiso d PDU .273(9) A 1 Cl
C99' .1322(13) .2175(11) .6981(8) .080(3) Uiso d PDU .727(9) A 2 C
H99C .2100 .1857 .6892 .096 Uiso calc PR .727(9) A 2 H
H99D .1741 .2989 .7188 .096 Uiso calc PR .727(9) A 2 H
Cl1' .0291(5) .1901(5) .5959(3) .136(2) Uani d PDU .727(9) A 2 Cl
Cl2' .0466(6) .1667(4) .7806(4) .0933(15) Uani d PDU .727(9) A 2 Cl
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F .0171 .0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P .1023 .0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S .1246 .1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl .1484 .1585 '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_publ_flag
C21 Au C11 86.92(18) y
C21 Au C31 86.49(17) y
C11 Au C31 172.17(18) y
C21 Au P 173.61(13) y
C11 Au P 93.14(14) y
C31 Au P 93.88(13) y
C51 P C61 102.5(2) y
C51 P C41 106.9(2) y
C61 P C41 107.0(2) y
C51 P Au 119.59(16) y
C61 P Au 110.32(15) y
C41 P Au 109.70(16) y
C12 C11 C16 116.3(5) ?
C12 C11 Au 123.5(4) ?
C16 C11 Au 119.8(4) ?
F1 C12 C11 119.8(4) ?
F1 C12 C13 117.8(5) ?
C11 C12 C13 122.4(6) ?
F2 C13 C14 121.6(5) ?
F2 C13 C12 119.2(6) ?
C14 C13 C12 119.2(6) ?
F3 C14 C15 120.1(6) ?
F3 C14 C13 119.4(6) ?
C15 C14 C13 120.4(6) ?
F4 C15 C14 120.8(6) ?
F4 C15 C16 119.8(6) ?
C14 C15 C16 119.4(6) ?
F5 C16 C15 118.0(5) ?
F5 C16 C11 119.6(4) ?
C15 C16 C11 122.4(6) ?
C22 C21 C26 116.3(5) ?
C22 C21 Au 124.1(3) ?
C26 C21 Au 119.6(3) ?
F6 C22 C21 120.3(4) ?
F6 C22 C23 117.5(4) ?
C21 C22 C23 122.2(5) ?
F7 C23 C24 119.0(4) ?
F7 C23 C22 121.3(5) ?
C24 C23 C22 119.7(5) ?
F8 C24 C23 119.5(5) ?
F8 C24 C25 120.6(5) ?
C23 C24 C25 119.8(5) ?
F9 C25 C26 121.2(5) ?
F9 C25 C24 119.6(4) ?
C26 C25 C24 119.1(5) ?
F10 C26 C25 118.0(4) ?
F10 C26 C21 119.1(4) ?
C25 C26 C21 122.9(5) ?
C32 C31 C36 115.2(4) ?
C32 C31 Au 121.0(3) ?
C36 C31 Au 123.7(3) ?
F11 C32 C31 120.2(4) ?
F11 C32 C33 116.4(4) ?
C31 C32 C33 123.3(5) ?
F12 C33 C34 120.3(4) ?
F12 C33 C32 120.3(5) ?
C34 C33 C32 119.4(5) ?
F13 C34 C33 120.9(5) ?
F13 C34 C35 119.4(5) ?
C33 C34 C35 119.6(5) ?
F14 C35 C34 120.3(4) ?
F14 C35 C36 121.1(5) ?
C34 C35 C36 118.7(5) ?
F15 C36 C31 120.1(4) ?
F15 C36 C35 116.2(4) ?
C31 C36 C35 123.6(5) ?
C46 C41 C42 120.2(4) ?
C46 C41 P 120.3(3) ?
C42 C41 P 119.2(3) ?
C43 C42 C41 118.1(5) ?
C43 C42 S 121.8(4) ?
C41 C42 S 120.1(4) ?
C44 C43 C42 121.5(5) ?
C43 C44 C45 120.7(5) ?
C44 C45 C46 119.3(5) ?
C45 C46 C41 120.1(5) ?
C56 C51 C52 119.4(5) ?
C56 C51 P 119.5(4) ?
C52 C51 P 121.0(4) ?
C53 C52 C51 119.9(5) ?
C54 C53 C52 120.2(5) ?
C53 C54 C55 120.6(5) ?
C54 C55 C56 120.0(5) ?
C51 C56 C55 119.9(5) ?
C62 C61 C66 119.3(4) ?
C62 C61 P 121.6(4) ?
C66 C61 P 119.1(3) ?
C63 C62 C61 119.9(5) ?
C62 C63 C64 120.8(5) ?
C63 C64 C65 119.6(5) ?
C66 C65 C64 119.9(5) ?
C65 C66 C61 120.4(5) ?
Cl1 C99 Cl2 122(2) ?
Cl2' C99' Cl1' 114.8(7) ?
C42 S H0 100(3) ?
C44 C43 H43 119.2 ?
C42 C43 H43 119.2 ?
C43 C44 H44 119.7 ?
C45 C44 H44 119.7 ?
C44 C45 H45 120.3 ?
C46 C45 H45 120.3 ?
C45 C46 H46 119.9 ?
C41 C46 H46 119.9 ?
C53 C52 H52 120.1 ?
C51 C52 H52 120.1 ?
C54 C53 H53 119.9 ?
C52 C53 H53 119.9 ?
C53 C54 H54 119.7 ?
C55 C54 H54 119.7 ?
C54 C55 H55 120.0 ?
C56 C55 H55 120.0 ?
C51 C56 H56 120.0 ?
C55 C56 H56 120.0 ?
C63 C62 H62 120.1 ?
C61 C62 H62 120.1 ?
C62 C63 H63 119.6 ?
C64 C63 H63 119.6 ?
C63 C64 H64 120.2 ?
C65 C64 H64 120.2 ?
C66 C65 H65 120.1 ?
C64 C65 H65 120.1 ?
C65 C66 H66 119.8 ?
C61 C66 H66 119.8 ?
Cl1 C99 H99A 106.8 ?
Cl2 C99 H99A 106.8 ?
Cl1 C99 H99B 106.8 ?
Cl2 C99 H99B 106.8 ?
H99A C99 H99B 106.7 ?
Cl2' C99' H99C 108.6 ?
Cl1' C99' H99C 108.6 ?
Cl2' C99' H99D 108.6 ?
Cl1' C99' H99D 108.6 ?
H99C C99' H99D 107.5 ?
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
Au C21 . 2.057(5) y
Au C11 . 2.060(5) y
Au C31 . 2.074(4) y
Au P . 2.3884(16) y
P C51 . 1.810(5) y
P C61 . 1.816(5) y
P C41 . 1.816(5) y
S C42 . 1.740(5) y
C11 C12 . 1.365(7) ?
C11 C16 . 1.389(7) ?
C12 F1 . 1.352(6) ?
C12 C13 . 1.389(7) ?
C13 F2 . 1.346(7) ?
C13 C14 . 1.365(9) ?
C14 F3 . 1.343(7) ?
C14 C15 . 1.359(9) ?
C15 F4 . 1.347(7) ?
C15 C16 . 1.374(7) ?
C16 F5 . 1.345(6) ?
C21 C22 . 1.373(6) ?
C21 C26 . 1.383(6) ?
C22 F6 . 1.348(6) ?
C22 C23 . 1.374(7) ?
C23 F7 . 1.351(6) ?
C23 C24 . 1.371(7) ?
C24 F8 . 1.345(6) ?
C24 C25 . 1.372(7) ?
C25 F9 . 1.342(6) ?
C25 C26 . 1.366(7) ?
C26 F10 . 1.349(6) ?
C31 C32 . 1.369(6) ?
C31 C36 . 1.372(6) ?
C32 F11 . 1.351(5) ?
C32 C33 . 1.383(6) ?
C33 F12 . 1.343(6) ?
C33 C34 . 1.364(7) ?
C34 F13 . 1.340(6) ?
C34 C35 . 1.378(7) ?
C35 F14 . 1.340(6) ?
C35 C36 . 1.383(6) ?
C36 F15 . 1.358(5) ?
C41 C46 . 1.394(6) ?
C41 C42 . 1.408(6) ?
C42 C43 . 1.385(7) ?
C43 C44 . 1.366(7) ?
C44 C45 . 1.385(8) ?
C45 C46 . 1.386(7) ?
C51 C56 . 1.389(6) ?
C51 C52 . 1.398(6) ?
C52 C53 . 1.387(7) ?
C53 C54 . 1.367(7) ?
C54 C55 . 1.379(7) ?
C55 C56 . 1.390(7) ?
C61 C62 . 1.386(6) ?
C61 C66 . 1.400(6) ?
C62 C63 . 1.377(7) ?
C63 C64 . 1.382(7) ?
C64 C65 . 1.390(7) ?
C65 C66 . 1.375(7) ?
C99 Cl1 . 1.67(2) ?
C99 Cl2 . 1.699(18) ?
C99' Cl2' . 1.701(11) ?
C99' Cl1' . 1.720(13) ?
S H0 . 1.331(19) ?
C43 H43 . .9500 ?
C44 H44 . .9500 ?
C45 H45 . .9500 ?
C46 H46 . .9500 ?
C52 H52 . .9500 ?
C53 H53 . .9500 ?
C54 H54 . .9500 ?
C55 H55 . .9500 ?
C56 H56 . .9500 ?
C62 H62 . .9500 ?
C63 H63 . .9500 ?
C64 H64 . .9500 ?
C65 H65 . .9500 ?
C66 H66 . .9500 ?
C99 H99A . .9900 ?
C99 H99B . .9900 ?
C99' H99C . .9900 ?
C99' H99D . .9900 ?
