#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:29:19 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178653 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/64/4076444.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_4076444
loop_
_publ_author_name
'Slaney, Michael E.'
'Anderson, D. Jason'
'Ferguson, Michael J.'
'McDonald, Robert'
'Cowie, Martin'
_publ_section_title
;
 Bis(diethylphosphino)methane As a Bridging Ligand in Complexes of Ir2,
 Rh2, and IrRh: Geminal C--H Activation of α-Olefins
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              2286
_journal_paper_doi               10.1021/om201214z
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C23 H44 O5 P4 Rh2, 2(C F3 O3 S)'
_chemical_formula_sum            'C25 H44 F6 O11 P4 Rh2 S2'
_chemical_formula_weight         1028.42
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.0810(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.5764(6)
_cell_length_b                   21.3460(14)
_cell_length_c                   10.0396(6)
_cell_measurement_reflns_used    5433
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      26.36
_cell_measurement_theta_min      2.43
_cell_volume                     1950.9(2)
_computing_cell_refinement       'Bruker SAINT (Bruker, 1997)'
_computing_data_collection       'Bruker SMART (Bruker, 1997)'
_computing_data_reduction        'Bruker SAINT (Bruker, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker, 1997)'
_computing_publication_material  'Bruker SHELXTL (Bruker, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type
'Bruker PLATFORM diffractometer/SMART 1000 CCD area detector'
_diffrn_measurement_method       'ω 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  0.0200
_diffrn_reflns_av_sigmaI/netI    0.0217
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            11122
_diffrn_reflns_theta_full        26.36
_diffrn_reflns_theta_max         26.36
_diffrn_reflns_theta_min         2.13
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.196
_exptl_absorpt_correction_T_max  0.8317
_exptl_absorpt_correction_T_min  0.5918
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.751
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1036
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.694
_refine_diff_density_min         -0.526
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         4079
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0242
_refine_ls_R_factor_gt           0.0225
_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)+(0.0344P)²+1.1794P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0611
_refine_ls_wR_factor_ref         0.0625
_reflns_number_gt                3810
_reflns_number_total             4079
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om201214z_si_002.cif
_cod_data_source_block           18
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               4076444
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Rh1 Rh 0.20339(2) 0.2500 0.345055(19) 0.01751(7) Uani 1 2 d S
Rh2 Rh 0.42381(2) 0.2500 0.210507(19) 0.01722(7) Uani 1 2 d S
P1 P 0.19470(5) 0.36025(2) 0.34664(4) 0.01865(10) Uani 1 1 d .
P2 P 0.42924(5) 0.36011(2) 0.20025(4) 0.01844(10) Uani 1 1 d .
O1 O 0.3768(3) 0.2500 0.6630(2) 0.0477(6) Uani 1 2 d S
O2 O -0.1277(2) 0.2500 0.2815(3) 0.0566(7) Uani 1 2 d S
O3 O 0.1093(2) 0.2500 0.0201(2) 0.0355(5) Uani 1 2 d S
O4 O 0.5843(3) 0.2500 -0.0082(3) 0.0463(6) Uani 1 2 d S
O5 O 0.6744(3) 0.2500 0.4957(3) 0.0612(8) Uani 1 2 d S
C1 C 0.3239(3) 0.2500 0.5463(3) 0.0276(6) Uani 1 2 d S
C2 C -0.0045(3) 0.2500 0.3040(3) 0.0344(6) Uani 1 2 d S
C3 C 0.2023(3) 0.2500 0.1262(3) 0.0242(5) Uani 1 2 d S
C4 C 0.5180(3) 0.2500 0.0668(3) 0.0279(6) Uani 1 2 d S
C5 C 0.5823(3) 0.2500 0.3951(3) 0.0309(6) Uani 1 2 d S
C10 C 0.36005(19) 0.39701(8) 0.32987(18) 0.0209(3) Uani 1 1 d .
H10A H 0.3387 0.4416 0.3043 0.025 Uiso 1 1 calc R
H10B H 0.4375 0.3957 0.4219 0.025 Uiso 1 1 calc R
C11 C 0.1825(2) 0.39733(9) 0.50615(19) 0.0282(4) Uani 1 1 d .
H11A H 0.2705 0.3857 0.5846 0.034 Uiso 1 1 calc R
H11B H 0.1842 0.4433 0.4945 0.034 Uiso 1 1 calc R
C12 C 0.0463(3) 0.37994(14) 0.5452(3) 0.0498(6) Uani 1 1 d .
H12A H 0.0477 0.4018 0.6314 0.060 Uiso 1 1 calc R
H12B H 0.0450 0.3346 0.5601 0.060 Uiso 1 1 calc R
H12C H -0.0417 0.3922 0.4693 0.060 Uiso 1 1 calc R
C13 C 0.03526(19) 0.38908(9) 0.20757(19) 0.0250(4) Uani 1 1 d .
H13A H 0.0347 0.3686 0.1189 0.030 Uiso 1 1 calc R
H13B H -0.0542 0.3752 0.2287 0.030 Uiso 1 1 calc R
C14 C 0.0240(2) 0.45969(9) 0.1829(2) 0.0334(4) Uani 1 1 d .
H14A H -0.0651 0.4692 0.1056 0.040 Uiso 1 1 calc R
H14B H 0.1103 0.4744 0.1590 0.040 Uiso 1 1 calc R
H14C H 0.0197 0.4809 0.2681 0.040 Uiso 1 1 calc R
C15 C 0.3217(2) 0.39645(9) 0.03626(18) 0.0262(4) Uani 1 1 d .
H15A H 0.2168 0.3866 0.0205 0.031 Uiso 1 1 calc R
H15B H 0.3328 0.4425 0.0467 0.031 Uiso 1 1 calc R
C16 C 0.3610(3) 0.37701(12) -0.0932(2) 0.0460(6) Uani 1 1 d .
H16A H 0.2991 0.3999 -0.1749 0.055 Uiso 1 1 calc R
H16B H 0.3449 0.3319 -0.1085 0.055 Uiso 1 1 calc R
H16C H 0.4645 0.3867 -0.0798 0.055 Uiso 1 1 calc R
C17 C 0.6174(2) 0.38855(9) 0.2385(2) 0.0290(4) Uani 1 1 d .
H17A H 0.6744 0.3742 0.3336 0.035 Uiso 1 1 calc R
H17B H 0.6612 0.3686 0.1718 0.035 Uiso 1 1 calc R
C18 C 0.6365(2) 0.45895(10) 0.2315(3) 0.0446(6) Uani 1 1 d .
H18A H 0.7411 0.4689 0.2534 0.054 Uiso 1 1 calc R
H18B H 0.5973 0.4795 0.2995 0.054 Uiso 1 1 calc R
H18C H 0.5834 0.4739 0.1370 0.054 Uiso 1 1 calc R
S S 0.67082(5) 0.41171(2) -0.29157(5) 0.03026(12) Uani 1 1 d .
F21 F 0.94478(12) 0.39206(6) -0.14256(13) 0.0375(3) Uani 1 1 d .
F22 F 0.78948(16) 0.33228(8) -0.09035(16) 0.0621(5) Uani 1 1 d .
F23 F 0.84713(18) 0.31645(7) -0.27829(19) 0.0610(4) Uani 1 1 d .
O21 O 0.54691(16) 0.37017(8) -0.34072(17) 0.0438(4) Uani 1 1 d .
O22 O 0.72319(19) 0.43823(9) -0.39899(18) 0.0524(4) Uani 1 1 d .
O23 O 0.66316(19) 0.45532(8) -0.1848(2) 0.0523(4) Uani 1 1 d .
C20 C 0.8194(2) 0.35996(10) -0.1962(2) 0.0308(4) 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'
H H 0.0000 0.0000 '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'
P P 0.1023 0.0942 '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'
Rh Rh -1.1178 0.9187 '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
C2 Rh1 C1 117.23(13) . .
C2 Rh1 C3 95.95(12) . .
C1 Rh1 C3 146.81(11) . .
C2 Rh1 P1 87.977(11) . 4_565
C1 Rh1 P1 90.213(11) . 4_565
C3 Rh1 P1 91.007(11) . 4_565
C2 Rh1 P1 87.978(11) . .
C1 Rh1 P1 90.213(11) . .
C3 Rh1 P1 91.006(11) . .
P1 Rh1 P1 175.65(2) 4_565 .
C2 Rh1 Rh2 141.22(10) . .
C1 Rh1 Rh2 101.55(8) . .
C3 Rh1 Rh2 45.26(7) . .
P1 Rh1 Rh2 92.079(11) 4_565 .
P1 Rh1 Rh2 92.078(11) . .
C4 Rh2 C5 107.30(12) . .
C4 Rh2 C3 111.12(11) . .
C5 Rh2 C3 141.58(12) . .
C4 Rh2 P2 86.868(11) . 4_565
C5 Rh2 P2 91.136(12) . 4_565
C3 Rh2 P2 90.929(12) . 4_565
C4 Rh2 P2 86.867(11) . .
C5 Rh2 P2 91.136(12) . .
C3 Rh2 P2 90.929(12) . .
P2 Rh2 P2 173.72(2) 4_565 .
C4 Rh2 Rh1 161.46(9) . .
C5 Rh2 Rh1 91.24(9) . .
C3 Rh2 Rh1 50.33(8) . .
P2 Rh2 Rh1 92.901(11) 4_565 .
P2 Rh2 Rh1 92.902(11) . .
C10 P1 C11 100.88(8) . .
C10 P1 C13 109.19(8) . .
C11 P1 C13 105.01(9) . .
C10 P1 Rh1 113.35(6) . .
C11 P1 Rh1 116.87(7) . .
C13 P1 Rh1 110.76(6) . .
C10 P2 C15 103.50(8) . .
C10 P2 C17 105.15(9) . .
C15 P2 C17 107.02(9) . .
C10 P2 Rh2 112.60(6) . .
C15 P2 Rh2 116.78(6) . .
C17 P2 Rh2 110.89(6) . .
O1 C1 Rh1 171.9(3) . .
O2 C2 Rh1 179.1(3) . .
O3 C3 Rh2 142.4(2) . .
O3 C3 Rh1 133.2(2) . .
Rh2 C3 Rh1 84.40(10) . .
O4 C4 Rh2 174.1(3) . .
O5 C5 Rh2 177.5(3) . .
P2 C10 P1 113.64(9) . .
C12 C11 P1 114.51(15) . .
C14 C13 P1 117.20(13) . .
C16 C15 P2 115.85(14) . .
C18 C17 P2 116.39(14) . .
O23 S O22 114.46(12) . .
O23 S O21 115.24(10) . .
O22 S O21 115.29(10) . .
O23 S C20 102.29(10) . .
O22 S C20 103.64(10) . .
O21 S C20 103.46(10) . .
F22 C20 F23 108.82(19) . .
F22 C20 F21 107.21(16) . .
F23 C20 F21 106.29(17) . .
F22 C20 S 111.42(15) . .
F23 C20 S 111.93(14) . .
F21 C20 S 110.92(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C2 1.904(3) .
Rh1 C1 1.992(3) .
Rh1 C3 2.195(3) .
Rh1 P1 2.3550(5) 4_565
Rh1 P1 2.3550(5) .
Rh1 Rh2 2.8373(3) .
Rh2 C4 1.924(3) .
Rh2 C5 1.998(3) .
Rh2 C3 2.025(3) .
Rh2 P2 2.3539(5) 4_565
Rh2 P2 2.3539(5) .
P1 C10 1.8212(18) .
P1 C11 1.8224(18) .
P1 C13 1.8265(18) .
P2 C10 1.8132(17) .
P2 C15 1.8223(18) .
P2 C17 1.8260(19) .
O1 C1 1.123(3) .
O2 C2 1.130(4) .
O3 C3 1.157(3) .
O4 C4 1.126(3) .
O5 C5 1.116(4) .
C11 C12 1.520(3) .
C13 C14 1.526(3) .
C15 C16 1.519(3) .
C17 C18 1.518(3) .
S O23 1.4388(17) .
S O22 1.4390(17) .
S O21 1.4403(16) .
S C20 1.821(2) .
F21 C20 1.342(2) .
F22 C20 1.322(2) .
F23 C20 1.323(3) .
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
C2 Rh1 Rh2 C4 0.0 . .
C1 Rh1 Rh2 C4 180.0 . .
C3 Rh1 Rh2 C4 0.0 . .
P1 Rh1 Rh2 C4 89.358(11) 4_565 .
P1 Rh1 Rh2 C4 -89.357(11) . .
C2 Rh1 Rh2 C5 180.0 . .
C1 Rh1 Rh2 C5 0.0 . .
C3 Rh1 Rh2 C5 180.0 . .
P1 Rh1 Rh2 C5 -90.642(11) 4_565 .
P1 Rh1 Rh2 C5 90.643(11) . .
C2 Rh1 Rh2 C3 0.0 . .
C1 Rh1 Rh2 C3 180.0 . .
P1 Rh1 Rh2 C3 89.358(11) 4_565 .
P1 Rh1 Rh2 C3 -89.357(11) . .
C2 Rh1 Rh2 P2 -88.800(11) . 4_565
C1 Rh1 Rh2 P2 91.200(11) . 4_565
C3 Rh1 Rh2 P2 -88.800(11) . 4_565
P1 Rh1 Rh2 P2 0.558(15) 4_565 4_565
P1 Rh1 Rh2 P2 -178.157(15) . 4_565
C2 Rh1 Rh2 P2 88.800(11) . .
C1 Rh1 Rh2 P2 -91.200(11) . .
C3 Rh1 Rh2 P2 88.800(11) . .
P1 Rh1 Rh2 P2 178.157(15) 4_565 .
P1 Rh1 Rh2 P2 -0.558(15) . .
C2 Rh1 P1 C10 -162.45(12) . .
C1 Rh1 P1 C10 80.31(10) . .
C3 Rh1 P1 C10 -66.53(9) . .
P1 Rh1 P1 C10 175.9(3) 4_565 .
Rh2 Rh1 P1 C10 -21.26(6) . .
C2 Rh1 P1 C11 80.85(12) . .
C1 Rh1 P1 C11 -36.39(11) . .
C3 Rh1 P1 C11 176.77(10) . .
P1 Rh1 P1 C11 59.2(3) 4_565 .
Rh2 Rh1 P1 C11 -137.96(7) . .
C2 Rh1 P1 C13 -39.32(12) . .
C1 Rh1 P1 C13 -156.57(10) . .
C3 Rh1 P1 C13 56.60(10) . .
P1 Rh1 P1 C13 -60.9(3) 4_565 .
Rh2 Rh1 P1 C13 101.87(7) . .
C4 Rh2 P2 C10 -176.21(11) . .
C5 Rh2 P2 C10 -68.94(11) . .
C3 Rh2 P2 C10 72.69(10) . .
P2 Rh2 P2 C10 179.87(19) 4_565 .
Rh1 Rh2 P2 C10 22.36(6) . .
C4 Rh2 P2 C15 64.23(11) . .
C5 Rh2 P2 C15 171.50(11) . .
C3 Rh2 P2 C15 -46.88(10) . .
P2 Rh2 P2 C15 60.3(2) 4_565 .
Rh1 Rh2 P2 C15 -97.20(7) . .
C4 Rh2 P2 C17 -58.70(11) . .
C5 Rh2 P2 C17 48.57(11) . .
C3 Rh2 P2 C17 -169.80(10) . .
P2 Rh2 P2 C17 -62.6(2) 4_565 .
Rh1 Rh2 P2 C17 139.87(7) . .
C2 Rh1 C1 O1 0.000(4) . .
C3 Rh1 C1 O1 180.000(4) . .
P1 Rh1 C1 O1 -87.835(12) 4_565 .
P1 Rh1 C1 O1 87.835(12) . .
Rh2 Rh1 C1 O1 180.000(4) . .
C1 Rh1 C2 O2 0.00(2) . .
C3 Rh1 C2 O2 180.00(2) . .
P1 Rh1 C2 O2 89.20(3) 4_565 .
P1 Rh1 C2 O2 -89.20(3) . .
Rh2 Rh1 C2 O2 180.00(2) . .
C4 Rh2 C3 O3 0.0 . .
C5 Rh2 C3 O3 180.0 . .
P2 Rh2 C3 O3 -87.001(11) 4_565 .
P2 Rh2 C3 O3 87.000(11) . .
Rh1 Rh2 C3 O3 180.0 . .
C4 Rh2 C3 Rh1 180.0 . .
C5 Rh2 C3 Rh1 0.0 . .
P2 Rh2 C3 Rh1 92.999(11) 4_565 .
P2 Rh2 C3 Rh1 -93.000(11) . .
C2 Rh1 C3 O3 0.0 . .
C1 Rh1 C3 O3 180.0 . .
P1 Rh1 C3 O3 88.071(11) 4_565 .
P1 Rh1 C3 O3 -88.071(11) . .
Rh2 Rh1 C3 O3 180.0 . .
C2 Rh1 C3 Rh2 180.0 . .
C1 Rh1 C3 Rh2 0.0 . .
P1 Rh1 C3 Rh2 -91.929(11) 4_565 .
P1 Rh1 C3 Rh2 91.929(11) . .
C5 Rh2 C4 O4 0.000(1) . .
C3 Rh2 C4 O4 180.000(1) . .
P2 Rh2 C4 O4 -90.215(12) 4_565 .
P2 Rh2 C4 O4 90.214(13) . .
Rh1 Rh2 C4 O4 180.000(1) . .
C4 Rh2 C5 O5 0.000(12) . .
C3 Rh2 C5 O5 180.000(12) . .
P2 Rh2 C5 O5 87.072(16) 4_565 .
P2 Rh2 C5 O5 -87.073(16) . .
Rh1 Rh2 C5 O5 180.000(12) . .
C15 P2 C10 P1 84.16(11) . .
C17 P2 C10 P1 -163.70(10) . .
Rh2 P2 C10 P1 -42.85(11) . .
C11 P1 C10 P2 168.33(10) . .
C13 P1 C10 P2 -81.42(11) . .
Rh1 P1 C10 P2 42.57(11) . .
C10 P1 C11 C12 175.75(17) . .
C13 P1 C11 C12 62.29(18) . .
Rh1 P1 C11 C12 -60.89(18) . .
C10 P1 C13 C14 -47.14(17) . .
C11 P1 C13 C14 60.34(17) . .
Rh1 P1 C13 C14 -172.64(13) . .
C10 P2 C15 C16 176.93(16) . .
C17 P2 C15 C16 66.16(18) . .
Rh2 P2 C15 C16 -58.74(18) . .
C10 P2 C17 C18 -59.65(19) . .
C15 P2 C17 C18 49.97(19) . .
Rh2 P2 C17 C18 178.37(16) . .
O23 S C20 F22 59.55(17) . .
O22 S C20 F22 178.82(15) . .
O21 S C20 F22 -60.52(17) . .
O23 S C20 F23 -178.34(15) . .
O22 S C20 F23 -59.07(18) . .
O21 S C20 F23 61.59(17) . .
O23 S C20 F21 -59.81(16) . .
O22 S C20 F21 59.46(17) . .
O21 S C20 F21 -179.87(15) . .
