#------------------------------------------------------------------------------
#$Date: 2017-10-14 21:27:35 +0200 (Sat 14 de Oct de 2017) $
#$Revision: 202017 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/38/7003882.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_7003882
loop_
_publ_author_name
'Kilah, Nathan L.'
'Weir, Michelle L.'
'Wild, S. Bruce'
_publ_section_title
;
 Tertiary arsine-stabilised arsenium salts: syntheses and comparisons
 with phosphine analogues
;
_journal_issue                   18
_journal_name_full               'Dalton Transactions'
_journal_page_first              2480
_journal_page_last               2486
_journal_paper_doi               10.1039/b800965a
_journal_year                    2008
_chemical_formula_moiety         'C17 H23 As2 O1, C1 F3 O3 S1'
_chemical_formula_sum            'C18 H23 As2 F3 O4 S'
_chemical_formula_weight         542.28
_chemical_name_systematic
;
?
;
_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     direct
_audit_creation_date             07-03-25
_audit_creation_method           CRYSTALS_ver_12.18
_audit_update_record
;
2006-06-19 - Report on C18 H23 As2 F3 O4 S1
by Nathan L. Kilah
for Michelle L. Weir and S. Bruce Wild

2006-06-19 - Passed CheckCif with minor warnings.

;
_cell_angle_alpha                110.8090(13)
_cell_angle_beta                 93.8889(14)
_cell_angle_gamma                111.3757(12)
_cell_formula_units_Z            2
_cell_length_a                   8.8619(2)
_cell_length_b                   11.0590(2)
_cell_length_c                   13.0115(3)
_cell_measurement_reflns_used    34116
_cell_measurement_temperature    200
_cell_measurement_theta_max      28
_cell_measurement_theta_min      3
_cell_volume                     1081.11(4)
_computing_cell_refinement
;
Denzo/Scalepack (Otwinowski & Minor, 1996)
;
_computing_data_collection
;
COLLECT (Nonius BV, 1997)
;
_computing_data_reduction
;
Denzo/Scalepack (Otwinowski & Minor, 1996)
;
_computing_molecular_graphics
;
ORTEP3 (Farrugia 1997)
;
_computing_publication_material
;
CRYSTALS (Watkin et al 2003)
;
_computing_structure_refinement
;
CRYSTALS (Watkin et al 2003)
;
_computing_structure_solution
;
SIR92 (Altomare et al, 1994)
;
_diffrn_ambient_temperature      200
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type
;
Nonius Kappa CCD
;
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            33824
_diffrn_reflns_theta_full        27.946
_diffrn_reflns_theta_max         27.946
_diffrn_reflns_theta_min         2.558
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.233
_exptl_absorpt_correction_T_max  0.619
_exptl_absorpt_correction_T_min  0.504
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Gaussian integration (Coppens, 1970)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.666
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             544
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.41
_refine_diff_density_min         -0.56
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.0792
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         3785
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0375
_refine_ls_R_factor_gt           0.0275
_refine_ls_shift/su_max          0.000700
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982)
[weight] = 1.0/[A₀*T₀(x)+A₁*T₁(x) ... +Aₙ₋₁]*Tₙ₋₁(x)]
where Ai are the Chebychev coefficients listed below and x= Fcalc/Fmax
Method = Robust Weighting (Prince, 1982)
W = [weight] * [1-(deltaF/6*sigmaF)²]²
Ai are:
1.42 0.737 1.39 0.209 0.406
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0356
_refine_ls_wR_factor_gt          0.0305
_refine_ls_wR_factor_ref         0.0305
_reflns_limit_h_max              11
_reflns_limit_h_min              -11
_reflns_limit_k_max              13
_reflns_limit_k_min              -14
_reflns_limit_l_max              17
_reflns_limit_l_min              0
_reflns_number_gt                3785
_reflns_number_total             5172
_reflns_threshold_expression     I>3.0σ(I)
_cod_data_source_file            b800965a.txt
_cod_data_source_block           michelle08_cif
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_enum 1527 2010-12-29 10:47:43Z saulius 

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_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C18 H23 As2 F3 O4 S1'
_cod_database_code               7003882
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
As1 As 0.67500(3) 0.45543(3) 0.38488(2) 0.0325 1.0000 Uani . . . . . .
As2 As 0.65524(3) 0.36123(2) 0.18173(2) 0.0275 1.0000 Uani . . . . . .
S61 S 0.59471(9) 0.86136(7) 0.20517(6) 0.0392 1.0000 Uani . . . . . .
F61 F 0.7016(4) 0.9683(3) 0.42282(19) 0.0961 1.0000 Uani . . . . . .
F62 F 0.5444(4) 0.7482(3) 0.3507(2) 0.1022 1.0000 Uani . . . . . .
F63 F 0.4432(4) 0.9005(3) 0.3704(2) 0.0990 1.0000 Uani . . . . . .
O51 O 0.9667(3) 0.61555(19) 0.30652(16) 0.0439 1.0000 Uani . . . . . .
O61 O 0.6180(4) 0.9991(2) 0.2124(2) 0.0660 1.0000 Uani . . . . . .
O62 O 0.7401(3) 0.8345(3) 0.1947(3) 0.0716 1.0000 Uani . . . . . .
O63 O 0.4448(3) 0.7448(3) 0.1331(2) 0.0732 1.0000 Uani . . . . . .
C11 C 0.7756(4) 0.3387(4) 0.4187(3) 0.0481 1.0000 Uani . . . . . .
C21 C 0.4391(3) 0.3385(3) 0.3623(2) 0.0319 1.0000 Uani . . . . . .
C22 C 0.3750(4) 0.2046(3) 0.3640(3) 0.0467 1.0000 Uani . . . . . .
C23 C 0.2031(4) 0.1271(4) 0.3386(3) 0.0610 1.0000 Uani . . . . . .
C24 C 0.0963(4) 0.1811(4) 0.3117(3) 0.0598 1.0000 Uani . . . . . .
C25 C 0.1597(4) 0.3148(4) 0.3115(3) 0.0502 1.0000 Uani . . . . . .
C26 C 0.3298(3) 0.3936(3) 0.3376(2) 0.0379 1.0000 Uani . . . . . .
C31 C 0.4701(3) 0.1777(3) 0.1064(2) 0.0359 1.0000 Uani . . . . . .
C41 C 0.5953(4) 0.4807(3) 0.1266(2) 0.0395 1.0000 Uani . . . . . .
C51 C 0.8435(3) 0.3387(3) 0.1250(2) 0.0307 1.0000 Uani . . . . . .
C52 C 0.8242(4) 0.2000(3) 0.0636(2) 0.0406 1.0000 Uani . . . . . .
C53 C 0.9484(4) 0.1757(4) 0.0113(3) 0.0496 1.0000 Uani . . . . . .
C54 C 1.0909(4) 0.2881(4) 0.0206(3) 0.0486 1.0000 Uani . . . . . .
C55 C 1.1132(4) 0.4265(4) 0.0846(2) 0.0438 1.0000 Uani . . . . . .
C56 C 0.9908(3) 0.4542(3) 0.1379(2) 0.0334 1.0000 Uani . . . . . .
C57 C 1.0233(3) 0.6065(3) 0.2066(2) 0.0401 1.0000 Uani . . . . . .
C58 C 0.9946(5) 0.7583(3) 0.3757(3) 0.0566 1.0000 Uani . . . . . .
C61 C 0.5706(4) 0.8701(3) 0.3437(3) 0.0514 1.0000 Uani . . . . . .
H111 H 0.8994 0.3876 0.4324 0.0584 1.0000 Uiso R . . . . .
H112 H 0.7448 0.3252 0.4876 0.0584 1.0000 Uiso R . . . . .
H113 H 0.7339 0.2439 0.3534 0.0584 1.0000 Uiso R . . . . .
H311 H 0.4907 0.1075 0.1304 0.0388 1.0000 Uiso R . . . . .
H312 H 0.4575 0.1453 0.0229 0.0388 1.0000 Uiso R . . . . .
H313 H 0.3661 0.1850 0.1269 0.0388 1.0000 Uiso R . . . . .
H411 H 0.4978 0.4930 0.1556 0.0490 1.0000 Uiso R . . . . .
H412 H 0.6916 0.5758 0.1533 0.0490 1.0000 Uiso R . . . . .
H413 H 0.5653 0.4357 0.0422 0.0490 1.0000 Uiso R . . . . .
H221 H 0.4515 0.1642 0.3834 0.0599 1.0000 Uiso R . . . . .
H231 H 0.1568 0.0307 0.3398 0.0714 1.0000 Uiso R . . . . .
H241 H -0.0268 0.1236 0.2923 0.0670 1.0000 Uiso R . . . . .
H251 H 0.0826 0.3549 0.2925 0.0650 1.0000 Uiso R . . . . .
H261 H 0.3749 0.4913 0.3388 0.0485 1.0000 Uiso R . . . . .
H521 H 0.7209 0.1178 0.0571 0.0481 1.0000 Uiso R . . . . .
H531 H 0.9338 0.0760 -0.0333 0.0608 1.0000 Uiso R . . . . .
H541 H 1.1787 0.2704 -0.0187 0.0655 1.0000 Uiso R . . . . .
H551 H 1.2188 0.5076 0.0927 0.0558 1.0000 Uiso R . . . . .
H571 H 1.1453 0.6678 0.2259 0.0463 1.0000 Uiso R . . . . .
H572 H 0.9625 0.6393 0.1624 0.0463 1.0000 Uiso R . . . . .
H581 H 0.9533 0.7613 0.4458 0.0612 1.0000 Uiso R . . . . .
H582 H 1.1165 0.8208 0.3966 0.0612 1.0000 Uiso R . . . . .
H583 H 0.9338 0.7927 0.3333 0.0612 1.0000 Uiso R . . . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
As 0.0499 2.0058 16.6723 2.6345 6.0701 0.2647 3.4313 12.9479 4.2779 47.7972
2.5310 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
F 0.0171 0.0103 3.5392 10.2825 2.6412 4.2944 1.5170 0.2615 1.0243 26.1476
0.2776 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0106 0.0060 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089
0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
S 0.1246 0.1234 6.9053 1.4679 5.2034 22.2151 1.4379 0.2536 1.5863 56.1720
0.8669 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
7 -6 -11 0.110
-2 1 3 0.103
-1 17 2 0.126
2 -11 -3 0.084
11 10 -17 0.190
-5 -7 8 0.137
5 -9 8 0.094
15 -14 -6 0.123
-1 -7 18 0.113
-7 6 -2 0.123
-3 -1 -4 0.084
1 -1 6 0.098
15 9 14 0.127
-1 5 -6 0.123
-9 8 -11 0.109
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
As2 . As1 . C11 . 97.25(9) yes
As2 . As1 . C21 . 91.06(7) yes
C11 . As1 . C21 . 101.15(12) yes
As1 . As2 . C31 . 110.75(8) yes
As1 . As2 . C41 . 106.99(9) yes
C31 . As2 . C41 . 103.84(12) yes
As1 . As2 . C51 . 119.49(7) yes
C31 . As2 . C51 . 105.80(11) yes
C41 . As2 . C51 . 108.90(11) yes
O61 . S61 . O62 . 113.54(16) yes
O61 . S61 . O63 . 116.89(18) yes
O62 . S61 . O63 . 114.08(18) yes
O61 . S61 . C61 . 103.92(16) yes
O62 . S61 . C61 . 103.10(17) yes
O63 . S61 . C61 . 103.01(15) yes
C57 . O51 . C58 . 111.3(2) yes
As1 . C11 . H111 . 109.5 no
As1 . C11 . H112 . 109.5 no
H111 . C11 . H112 . 109.5 no
As1 . C11 . H113 . 109.5 no
H111 . C11 . H113 . 109.5 no
H112 . C11 . H113 . 109.5 no
As1 . C21 . C22 . 124.8(2) yes
As1 . C21 . C26 . 115.98(19) yes
C22 . C21 . C26 . 119.1(2) yes
C21 . C22 . C23 . 119.4(3) yes
C21 . C22 . H221 . 120.3 no
C23 . C22 . H221 . 120.3 no
C22 . C23 . C24 . 121.0(3) yes
C22 . C23 . H231 . 119.5 no
C24 . C23 . H231 . 119.5 no
C23 . C24 . C25 . 119.6(3) yes
C23 . C24 . H241 . 120.2 no
C25 . C24 . H241 . 120.2 no
C24 . C25 . C26 . 120.0(3) yes
C24 . C25 . H251 . 120.0 no
C26 . C25 . H251 . 120.0 no
C21 . C26 . C25 . 120.8(3) yes
C21 . C26 . H261 . 119.6 no
C25 . C26 . H261 . 119.6 no
As2 . C31 . H311 . 109.5 no
As2 . C31 . H312 . 109.5 no
H311 . C31 . H312 . 109.5 no
As2 . C31 . H313 . 109.5 no
H311 . C31 . H313 . 109.5 no
H312 . C31 . H313 . 109.5 no
As2 . C41 . H411 . 109.5 no
As2 . C41 . H412 . 109.5 no
H411 . C41 . H412 . 109.5 no
As2 . C41 . H413 . 109.5 no
H411 . C41 . H413 . 109.5 no
H412 . C41 . H413 . 109.5 no
As2 . C51 . C52 . 116.79(19) yes
As2 . C51 . C56 . 122.99(19) yes
C52 . C51 . C56 . 120.1(2) yes
C51 . C52 . C53 . 120.1(3) yes
C51 . C52 . H521 . 119.9 no
C53 . C52 . H521 . 119.9 no
C52 . C53 . C54 . 120.1(3) yes
C52 . C53 . H531 . 119.9 no
C54 . C53 . H531 . 119.9 no
C53 . C54 . C55 . 120.0(3) yes
C53 . C54 . H541 . 120.0 no
C55 . C54 . H541 . 120.0 no
C54 . C55 . C56 . 121.1(3) yes
C54 . C55 . H551 . 119.4 no
C56 . C55 . H551 . 119.4 no
C51 . C56 . C55 . 118.4(3) yes
C51 . C56 . C57 . 123.2(2) yes
C55 . C56 . C57 . 118.4(2) yes
C56 . C57 . O51 . 108.7(2) yes
C56 . C57 . H571 . 109.7 no
O51 . C57 . H571 . 109.7 no
C56 . C57 . H572 . 109.7 no
O51 . C57 . H572 . 109.7 no
H571 . C57 . H572 . 109.5 no
O51 . C58 . H581 . 109.5 no
O51 . C58 . H582 . 109.5 no
H581 . C58 . H582 . 109.5 no
O51 . C58 . H583 . 109.5 no
H581 . C58 . H583 . 109.5 no
H582 . C58 . H583 . 109.5 no
S61 . C61 . F63 . 111.7(3) yes
S61 . C61 . F62 . 111.6(2) yes
F63 . C61 . F62 . 107.2(3) yes
S61 . C61 . F61 . 112.4(2) yes
F63 . C61 . F61 . 106.4(3) yes
F62 . C61 . F61 . 107.2(3) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
As1 . As2 . 2.4394(3) yes
As1 . C11 . 1.960(3) yes
As1 . C21 . 1.951(2) yes
As2 . C31 . 1.927(2) yes
As2 . C41 . 1.917(3) yes
As2 . C51 . 1.931(2) yes
S61 . O61 . 1.428(2) yes
S61 . O62 . 1.429(3) yes
S61 . O63 . 1.425(2) yes
S61 . C61 . 1.802(3) yes
F61 . C61 . 1.308(4) yes
F62 . C61 . 1.320(4) yes
F63 . C61 . 1.325(4) yes
O51 . C57 . 1.408(3) yes
O51 . C58 . 1.427(3) yes
C11 . H111 . 1.000 no
C11 . H112 . 1.000 no
C11 . H113 . 1.000 no
C21 . C22 . 1.388(4) yes
C21 . C26 . 1.392(4) yes
C22 . C23 . 1.394(4) yes
C22 . H221 . 1.000 no
C23 . C24 . 1.375(5) yes
C23 . H231 . 1.000 no
C24 . C25 . 1.378(5) yes
C24 . H241 . 1.000 no
C25 . C26 . 1.382(4) yes
C25 . H251 . 1.000 no
C26 . H261 . 1.000 no
C31 . H311 . 1.000 no
C31 . H312 . 1.000 no
C31 . H313 . 1.000 no
C41 . H411 . 1.000 no
C41 . H412 . 1.000 no
C41 . H413 . 1.000 no
C51 . C52 . 1.393(4) yes
C51 . C56 . 1.402(3) yes
C52 . C53 . 1.391(4) yes
C52 . H521 . 1.000 no
C53 . C54 . 1.372(5) yes
C53 . H531 . 1.000 no
C54 . C55 . 1.388(5) yes
C54 . H541 . 1.000 no
C55 . C56 . 1.394(4) yes
C55 . H551 . 1.000 no
C56 . C57 . 1.504(4) yes
C57 . H571 . 1.000 no
C57 . H572 . 1.000 no
C58 . H581 . 1.000 no
C58 . H582 . 1.000 no
C58 . H583 . 1.000 no
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
As1 O51 3.027(2) . . no
As2 O51 2.942(2) . . no
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C11 As1 As2 C31 77.50(16) . . . . no
C11 As1 As2 C41 -169.99(17) . . . . no
C11 As1 As2 C51 -45.78(17) . . . . no
C21 As1 As2 C31 -23.88(13) . . . . no
C21 As1 As2 C41 88.63(15) . . . . no
C21 As1 As2 C51 -147.16(15) . . . . no
As2 As1 C21 C22 93.6(2) . . . . no
As2 As1 C21 C26 -83.25(18) . . . . no
C11 As1 C21 C22 -4.0(3) . . . . no
C11 As1 C21 C26 179.2(2) . . . . no
As1 As2 C51 C52 113.36(19) . . . . no
As1 As2 C51 C56 -70.2(2) . . . . no
C31 As2 C51 C52 -12.3(2) . . . . no
C31 As2 C51 C56 164.1(2) . . . . no
C41 As2 C51 C52 -123.4(2) . . . . no
C41 As2 C51 C56 53.0(2) . . . . no
O62 S61 C61 F61 58.0(3) . . . . no
O61 S61 C61 F62 178.8(3) . . . . no
O63 S61 C61 F63 -63.6(3) . . . . no
O63 S61 C61 F62 56.5(3) . . . . no
O61 S61 C61 F61 -60.7(3) . . . . no
O61 S61 C61 F63 58.8(3) . . . . no
O62 S61 C61 F63 177.5(3) . . . . no
O63 S61 C61 F61 177.0(3) . . . . no
O62 S61 C61 F62 -62.5(3) . . . . no
C58 O51 C57 C56 179.9(3) . . . . no
C22 C21 C26 C25 -2.1(4) . . . . no
C26 C21 C22 C23 1.4(4) . . . . no
As1 C21 C26 C25 175.0(2) . . . . no
As1 C21 C22 C23 -175.4(2) . . . . no
C21 C22 C23 C24 0.1(5) . . . . no
C22 C23 C24 C25 -1.0(5) . . . . no
C23 C24 C25 C26 0.4(5) . . . . no
C24 C25 C26 C21 1.2(5) . . . . no
C56 C51 C52 C53 -2.4(4) . . . . no
As2 C51 C52 C53 174.1(2) . . . . no
C52 C51 C56 C55 2.3(4) . . . . no
As2 C51 C56 C55 -174.0(2) . . . . no
As2 C51 C56 C57 6.1(4) . . . . no
C52 C51 C56 C57 -177.6(2) . . . . no
C51 C52 C53 C54 0.5(5) . . . . no
C52 C53 C54 C55 1.6(5) . . . . no
C53 C54 C55 C56 -1.6(5) . . . . no
C54 C55 C56 C51 -0.3(4) . . . . no
C54 C55 C56 C57 179.6(3) . . . . no
C51 C56 C57 O51 41.4(4) . . . . no
C55 C56 C57 O51 -138.5(3) . . . . no
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 21118127
