#------------------------------------------------------------------------------
#$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/24/7002426.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_7002426
loop_
_publ_author_name
'Abdalilah, Mohammed'
'Zurawinski, Remigiuz'
'Canac, Yves'
'Laleu, Benoît'
'Lacour, Jérôme'
'Lepetit, Christine'
'Magro, Germinal'
'Bernardinelli, Gérald'
'Donnadieu, Bruno'
'Duhayon, Carine'
'Mikolajczyk, Marian'
'Chauvin, Remi'
_publ_section_title
;
 Vicinal diphosphoniums: electrostatic repulsion under covalent
 constraint
;
_journal_issue                   40
_journal_name_full               'Dalton Transactions'
_journal_page_first              8493
_journal_page_last               8508
_journal_paper_doi               10.1039/b903933c
_journal_year                    2009
_chemical_formula_moiety         'C32 H28 P2, 2(C F3 O3 S)'
_chemical_formula_sum            'C34 H28 F6 O6 P2 S2'
_chemical_formula_weight         772.66
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             07-06-04
_audit_creation_method           CRYSTALS_ver_12.84
_cell_angle_alpha                90
_cell_angle_beta                 99.024(11)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.5353(9)
_cell_length_b                   19.6190(13)
_cell_length_c                   19.8829(18)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    180
_cell_measurement_theta_max      25
_cell_measurement_theta_min      3
_cell_volume                     3673.5(6)
_computing_cell_refinement       'IPDS (Stoe & Cie, 1996)'
_computing_data_collection       'IPDS (Stoe & Cie, 1996)'
_computing_data_reduction        'XRED (Stoe & Cie 1996)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      180
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       'φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.080
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            36701
_diffrn_reflns_theta_full        25.471
_diffrn_reflns_theta_max         25.991
_diffrn_reflns_theta_min         2.074
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.305
_exptl_absorpt_correction_T_max  0.97
_exptl_absorpt_correction_T_min  0.89
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_description       block
_exptl_crystal_F_000             1584
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.57
_refine_diff_density_min         -0.40
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.0900
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         3884
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1119
_refine_ls_R_factor_gt           0.0559
_refine_ls_shift/su_max          0.000236
_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:
1.10 0.561 0.569
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0917
_refine_ls_wR_factor_gt          0.0640
_refine_ls_wR_factor_ref         0.0640
_reflns_limit_h_max              11
_reflns_limit_h_min              -11
_reflns_limit_k_max              24
_reflns_limit_k_min              0
_reflns_limit_l_max              24
_reflns_limit_l_min              0
_reflns_number_gt                3884
_reflns_number_total             7171
_reflns_threshold_expression     I>0.8σ(I)
_cod_data_source_file            b903933c.txt
_cod_data_source_block           compound4
_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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 1 21/n 1 '
_cod_database_code               7002426
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
-x+1/2,y+1/2,-z+1/2
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_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
C1 C 0.4428(5) 0.1217(2) 0.3872(2) 0.0488 1.0000 Uani . . . . . .
C2 C 0.5227(4) 0.1541(2) 0.3336(2) 0.0426 1.0000 Uani . . . . . .
C3 C 0.2531(4) 0.06176(19) 0.2718(2) 0.0334 1.0000 Uani . . . . . .
C4 C 0.1655(4) 0.0074(2) 0.2481(2) 0.0413 1.0000 Uani . . . . . .
C5 C 0.1461(5) -0.0117(2) 0.1810(2) 0.0462 1.0000 Uani . . . . . .
C6 C 0.2162(5) 0.0219(2) 0.1353(2) 0.0469 1.0000 Uani . . . . . .
C7 C 0.3044(5) 0.0762(2) 0.1569(2) 0.0445 1.0000 Uani . . . . . .
C8 C 0.3240(4) 0.09728(18) 0.2245(2) 0.0339 1.0000 Uani . . . . . .
C9 C 0.2442(5) 0.0109(2) 0.4069(2) 0.0427 1.0000 Uani . . . . . .
C10 C 0.3536(5) -0.0369(2) 0.4218(2) 0.0538 1.0000 Uani . . . . . .
C11 C 0.3271(6) -0.0979(3) 0.4528(3) 0.0658 1.0000 Uani . . . . . .
C12 C 0.1959(7) -0.1119(3) 0.4691(3) 0.0719 1.0000 Uani . . . . . .
C13 C 0.0879(7) -0.0653(3) 0.4539(3) 0.0728 1.0000 Uani . . . . . .
C14 C 0.1113(5) -0.0035(2) 0.4235(3) 0.0577 1.0000 Uani . . . . . .
C15 C 0.1369(4) 0.1471(2) 0.3689(2) 0.0430 1.0000 Uani . . . . . .
C16 C 0.0289(4) 0.1622(2) 0.3166(3) 0.0482 1.0000 Uani . . . . . .
C17 C -0.0722(5) 0.2112(2) 0.3250(3) 0.0608 1.0000 Uani . . . . . .
C18 C -0.0641(6) 0.2443(3) 0.3865(4) 0.0716 1.0000 Uani . . . . . .
C19 C 0.0418(7) 0.2297(3) 0.4397(3) 0.0807 1.0000 Uani . . . . . .
C20 C 0.1428(6) 0.1809(3) 0.4308(3) 0.0654 1.0000 Uani . . . . . .
C21 C 0.3079(4) 0.24090(19) 0.2501(2) 0.0378 1.0000 Uani . . . . . .
C22 C 0.2122(4) 0.2532(2) 0.1907(2) 0.0467 1.0000 Uani . . . . . .
C23 C 0.1169(5) 0.3063(3) 0.1893(3) 0.0554 1.0000 Uani . . . . . .
C24 C 0.1157(5) 0.3463(2) 0.2457(3) 0.0562 1.0000 Uani . . . . . .
C25 C 0.2080(4) 0.3336(2) 0.3044(3) 0.0514 1.0000 Uani . . . . . .
C26 C 0.3065(4) 0.28171(19) 0.3071(2) 0.0430 1.0000 Uani . . . . . .
C27 C 0.5544(4) 0.1862(2) 0.1963(3) 0.0481 1.0000 Uani . . . . . .
C28 C 0.6471(5) 0.1334(2) 0.1851(3) 0.0614 1.0000 Uani . . . . . .
C29 C 0.7527(6) 0.1463(3) 0.1464(3) 0.0750 1.0000 Uani . . . . . .
C30 C 0.7679(6) 0.2097(3) 0.1196(3) 0.0720 1.0000 Uani . . . . . .
C31 C 0.6768(6) 0.2622(3) 0.1301(3) 0.0693 1.0000 Uani . . . . . .
C32 C 0.5694(5) 0.2502(2) 0.1687(3) 0.0576 1.0000 Uani . . . . . .
C33 C 0.7822(5) -0.0660(3) 0.2618(4) 0.0891 1.0000 Uani . . . . . .
C34 C 0.0073(5) 0.1246(2) -0.0086(2) 0.0481 1.0000 Uani . . . . . .
P1 P 0.26922(11) 0.08542(5) 0.35913(6) 0.0388 1.0000 Uani . . . . . .
P2 P 0.42716(10) 0.17117(5) 0.25098(6) 0.0390 1.0000 Uani . . . . . .
S1 S 0.70615(14) -0.02225(6) 0.32691(10) 0.0808 1.0000 Uani . . . . . .
S2 S 0.10562(11) 0.20170(5) -0.01486(6) 0.0454 1.0000 Uani . . . . . .
O1 O 0.5673(3) -0.00362(17) 0.2934(2) 0.0826 1.0000 Uani . . . . . .
O2 O 0.7065(5) -0.0729(2) 0.3780(3) 0.1064 1.0000 Uani . . . . . .
O3 O 0.7987(4) 0.03485(19) 0.3425(3) 0.1209 1.0000 Uani . . . . . .
O4 O 0.2374(3) 0.18989(18) 0.02870(17) 0.0618 1.0000 Uani . . . . . .
O5 O 0.1146(4) 0.2048(2) -0.08645(17) 0.0701 1.0000 Uani . . . . . .
O6 O 0.0142(4) 0.25225(16) 0.0076(2) 0.0743 1.0000 Uani . . . . . .
F1 F 0.9132(3) -0.08982(15) 0.2852(2) 0.1041 1.0000 Uani . . . . . .
F2 F 0.7078(4) -0.1195(2) 0.2371(3) 0.1174 1.0000 Uani . . . . . .
F3 F 0.7979(4) -0.0241(2) 0.2106(3) 0.1367 1.0000 Uani . . . . . .
F4 F -0.0098(3) 0.11067(14) 0.05524(14) 0.0642 1.0000 Uani . . . . . .
F5 F 0.0694(4) 0.06960(14) -0.03048(16) 0.0765 1.0000 Uani . . . . . .
F6 F -0.1233(3) 0.12788(16) -0.04444(16) 0.0755 1.0000 Uani . . . . . .
H11 H 0.4313 0.1568 0.4203 0.0602 1.0000 Uiso R . . . . .
H12 H 0.5024 0.0854 0.4100 0.0601 1.0000 Uiso R . . . . .
H21 H 0.5638 0.1971 0.3521 0.0512 1.0000 Uiso R . . . . .
H22 H 0.5974 0.1226 0.3262 0.0513 1.0000 Uiso R . . . . .
H41 H 0.1185 -0.0163 0.2791 0.0503 1.0000 Uiso R . . . . .
H51 H 0.0856 -0.0480 0.1660 0.0563 1.0000 Uiso R . . . . .
H61 H 0.2027 0.0082 0.0897 0.0592 1.0000 Uiso R . . . . .
H71 H 0.3510 0.0998 0.1263 0.0562 1.0000 Uiso R . . . . .
H101 H 0.4432 -0.0264 0.4113 0.0692 1.0000 Uiso R . . . . .
H111 H 0.4010 -0.1299 0.4624 0.0792 1.0000 Uiso R . . . . .
H131 H -0.0025 -0.0745 0.4651 0.0971 1.0000 Uiso R . . . . .
H141 H 0.0378 0.0281 0.4126 0.0711 1.0000 Uiso R . . . . .
H161 H 0.0227 0.1398 0.2749 0.0603 1.0000 Uiso R . . . . .
H171 H -0.1453 0.2217 0.2894 0.0792 1.0000 Uiso R . . . . .
H181 H -0.1321 0.2766 0.3922 0.0912 1.0000 Uiso R . . . . .
H191 H 0.0445 0.2523 0.4816 0.1061 1.0000 Uiso R . . . . .
H201 H 0.2163 0.1707 0.4669 0.0853 1.0000 Uiso R . . . . .
H221 H 0.2131 0.2255 0.1522 0.0592 1.0000 Uiso R . . . . .
H231 H 0.0524 0.3151 0.1496 0.0722 1.0000 Uiso R . . . . .
H241 H 0.0505 0.3825 0.2444 0.0672 1.0000 Uiso R . . . . .
H251 H 0.2047 0.3604 0.3429 0.0631 1.0000 Uiso R . . . . .
H261 H 0.3710 0.2739 0.3469 0.0522 1.0000 Uiso R . . . . .
H281 H 0.6378 0.0903 0.2049 0.0772 1.0000 Uiso R . . . . .
H291 H 0.8145 0.1112 0.1386 0.0952 1.0000 Uiso R . . . . .
H301 H 0.8411 0.2179 0.0941 0.0922 1.0000 Uiso R . . . . .
H311 H 0.6849 0.3047 0.1105 0.0862 1.0000 Uiso R . . . . .
H321 H 0.5087 0.2854 0.1771 0.0702 1.0000 Uiso R . . . . .
H33 H 0.1773 -0.1550 0.4865 0.0952 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'
N 0.0061 0.0033 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 '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'
P 0.1023 0.0942 6.4345 1.9067 4.1791 27.1570 1.7800 0.5260 1.4908 68.1645
1.1149 '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'
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'
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
C2 . C1 . P1 . 118.5(3) yes
C2 . C1 . H11 . 107.1 no
P1 . C1 . H11 . 107.1 no
C2 . C1 . H12 . 107.8 no
P1 . C1 . H12 . 107.2 no
H11 . C1 . H12 . 108.9 no
C1 . C2 . P2 . 118.6(3) yes
C1 . C2 . H21 . 108.0 no
P2 . C2 . H21 . 107.6 no
C1 . C2 . H22 . 107.2 no
P2 . C2 . H22 . 105.1 no
H21 . C2 . H22 . 110.3 no
C4 . C3 . C8 . 118.3(4) yes
C4 . C3 . P1 . 119.1(3) yes
C8 . C3 . P1 . 122.6(3) yes
C3 . C4 . C5 . 121.5(4) yes
C3 . C4 . H41 . 118.6 no
C5 . C4 . H41 . 119.9 no
C4 . C5 . C6 . 120.4(4) yes
C4 . C5 . H51 . 120.0 no
C6 . C5 . H51 . 119.5 no
C5 . C6 . C7 . 119.8(4) yes
C5 . C6 . H61 . 119.7 no
C7 . C6 . H61 . 120.5 no
C6 . C7 . C8 . 120.9(4) yes
C6 . C7 . H71 . 120.6 no
C8 . C7 . H71 . 118.5 no
C3 . C8 . C7 . 119.1(3) yes
C3 . C8 . P2 . 120.1(3) yes
C7 . C8 . P2 . 120.7(3) yes
C10 . C9 . C14 . 119.5(4) yes
C10 . C9 . P1 . 120.3(3) yes
C14 . C9 . P1 . 119.9(3) yes
C9 . C10 . C11 . 119.3(5) yes
C9 . C10 . H101 . 119.0 no
C11 . C10 . H101 . 121.7 no
C10 . C11 . C12 . 121.0(5) yes
C10 . C11 . H111 . 118.8 no
C12 . C11 . H111 . 120.2 no
C11 . C12 . C13 . 119.7(5) yes
C11 . C12 . H33 . 119.9 no
C13 . C12 . H33 . 120.0 no
C12 . C13 . C14 . 120.7(5) yes
C12 . C13 . H131 . 120.2 no
C14 . C13 . H131 . 119.1 no
C9 . C14 . C13 . 119.8(5) yes
C9 . C14 . H141 . 119.2 no
C13 . C14 . H141 . 121.0 no
C16 . C15 . C20 . 119.2(4) yes
C16 . C15 . P1 . 121.5(3) yes
C20 . C15 . P1 . 119.3(4) yes
C15 . C16 . C17 . 120.6(5) yes
C15 . C16 . H161 . 120.4 no
C17 . C16 . H161 . 119.0 no
C16 . C17 . C18 . 119.4(5) yes
C16 . C17 . H171 . 120.6 no
C18 . C17 . H171 . 120.0 no
C17 . C18 . C19 . 121.2(5) yes
C17 . C18 . H181 . 119.3 no
C19 . C18 . H181 . 119.5 no
C18 . C19 . C20 . 119.2(6) yes
C18 . C19 . H191 . 119.9 no
C20 . C19 . H191 . 120.9 no
C15 . C20 . C19 . 120.5(5) yes
C15 . C20 . H201 . 119.7 no
C19 . C20 . H201 . 119.9 no
C22 . C21 . C26 . 120.1(4) yes
C22 . C21 . P2 . 118.3(3) yes
C26 . C21 . P2 . 121.5(3) yes
C21 . C22 . C23 . 119.3(4) yes
C21 . C22 . H221 . 120.0 no
C23 . C22 . H221 . 120.7 no
C22 . C23 . C24 . 120.4(4) yes
C22 . C23 . H231 . 119.9 no
C24 . C23 . H231 . 119.6 no
C23 . C24 . C25 . 120.4(4) yes
C23 . C24 . H241 . 120.1 no
C25 . C24 . H241 . 119.5 no
C24 . C25 . C26 . 120.6(5) yes
C24 . C25 . H251 . 119.7 no
C26 . C25 . H251 . 119.7 no
C21 . C26 . C25 . 119.1(4) yes
C21 . C26 . H261 . 120.4 no
C25 . C26 . H261 . 120.4 no
C28 . C27 . C32 . 120.0(4) yes
C28 . C27 . P2 . 118.8(3) yes
C32 . C27 . P2 . 121.0(3) yes
C27 . C28 . C29 . 119.0(5) yes
C27 . C28 . H281 . 119.6 no
C29 . C28 . H281 . 121.4 no
C28 . C29 . C30 . 120.9(5) yes
C28 . C29 . H291 . 119.4 no
C30 . C29 . H291 . 119.7 no
C29 . C30 . C31 . 120.7(5) yes
C29 . C30 . H301 . 119.9 no
C31 . C30 . H301 . 119.4 no
C30 . C31 . C32 . 119.4(5) yes
C30 . C31 . H311 . 120.7 no
C32 . C31 . H311 . 120.0 no
C31 . C32 . C27 . 120.1(4) yes
C31 . C32 . H321 . 120.3 no
C27 . C32 . H321 . 119.6 no
S1 . C33 . F1 . 111.9(6) yes
S1 . C33 . F2 . 113.2(4) yes
F1 . C33 . F2 . 105.6(4) yes
S1 . C33 . F3 . 111.2(4) yes
F1 . C33 . F3 . 105.6(4) yes
F2 . C33 . F3 . 108.9(7) yes
S2 . C34 . F4 . 112.5(3) yes
S2 . C34 . F5 . 113.3(3) yes
F4 . C34 . F5 . 105.7(4) yes
S2 . C34 . F6 . 112.1(3) yes
F4 . C34 . F6 . 105.9(4) yes
F5 . C34 . F6 . 106.8(4) yes
C1 . P1 . C15 . 109.2(2) yes
C1 . P1 . C3 . 109.83(19) yes
C15 . P1 . C3 . 109.22(19) yes
C1 . P1 . C9 . 110.5(2) yes
C15 . P1 . C9 . 110.10(19) yes
C3 . P1 . C9 . 107.95(19) yes
C8 . P2 . C2 . 107.32(19) yes
C8 . P2 . C21 . 107.48(17) yes
C2 . P2 . C21 . 112.8(2) yes
C8 . P2 . C27 . 110.66(19) yes
C2 . P2 . C27 . 107.2(2) yes
C21 . P2 . C27 . 111.3(2) yes
C33 . S1 . O1 . 103.6(3) yes
C33 . S1 . O2 . 103.0(3) yes
O1 . S1 . O2 . 114.2(3) yes
C33 . S1 . O3 . 103.0(3) yes
O1 . S1 . O3 . 113.2(2) yes
O2 . S1 . O3 . 117.4(4) yes
C34 . S2 . O4 . 103.9(2) yes
C34 . S2 . O5 . 102.5(2) yes
O4 . S2 . O5 . 115.0(2) yes
C34 . S2 . O6 . 102.2(2) yes
O4 . S2 . O6 . 116.3(2) yes
O5 . S2 . O6 . 114.2(2) 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
C1 . C2 . 1.542(6) yes
C1 . P1 . 1.807(4) yes
C1 . H11 . 0.970 no
C1 . H12 . 0.978 no
C2 . P2 . 1.782(4) yes
C2 . H21 . 0.978 no
C2 . H22 . 0.972 no
C3 . C4 . 1.391(5) yes
C3 . C8 . 1.423(5) yes
C3 . P1 . 1.781(4) yes
C4 . C5 . 1.370(6) yes
C4 . H41 . 0.940 no
C5 . C6 . 1.377(6) yes
C5 . H51 . 0.936 no
C6 . C7 . 1.383(6) yes
C6 . H61 . 0.934 no
C7 . C8 . 1.391(6) yes
C7 . H71 . 0.932 no
C8 . P2 . 1.784(4) yes
C9 . C10 . 1.399(6) yes
C9 . C14 . 1.388(6) yes
C9 . P1 . 1.780(4) yes
C10 . C11 . 1.389(7) yes
C10 . H101 . 0.933 no
C11 . C12 . 1.368(8) yes
C11 . H111 . 0.940 no
C12 . C13 . 1.375(8) yes
C12 . H33 . 0.941 no
C13 . C14 . 1.387(7) yes
C13 . H131 . 0.941 no
C14 . H141 . 0.936 no
C15 . C16 . 1.376(6) yes
C15 . C20 . 1.391(7) yes
C15 . P1 . 1.781(4) yes
C16 . C17 . 1.389(6) yes
C16 . H161 . 0.932 no
C17 . C18 . 1.375(8) yes
C17 . H171 . 0.936 no
C18 . C19 . 1.373(8) yes
C18 . H181 . 0.928 no
C19 . C20 . 1.389(7) yes
C19 . H191 . 0.942 no
C20 . H201 . 0.941 no
C21 . C22 . 1.395(6) yes
C21 . C26 . 1.390(6) yes
C21 . P2 . 1.777(4) yes
C22 . C23 . 1.379(6) yes
C22 . H221 . 0.940 no
C23 . C24 . 1.370(7) yes
C23 . H231 . 0.938 no
C24 . C25 . 1.372(7) yes
C24 . H241 . 0.941 no
C25 . C26 . 1.381(6) yes
C25 . H251 . 0.932 no
C26 . H261 . 0.935 no
C27 . C28 . 1.403(6) yes
C27 . C32 . 1.386(6) yes
C27 . P2 . 1.776(4) yes
C28 . C29 . 1.383(7) yes
C28 . H281 . 0.941 no
C29 . C30 . 1.371(7) yes
C29 . H291 . 0.934 no
C30 . C31 . 1.384(7) yes
C30 . H301 . 0.939 no
C31 . C32 . 1.394(7) yes
C31 . H311 . 0.928 no
C32 . H321 . 0.932 no
C33 . S1 . 1.798(7) yes
C33 . F1 . 1.346(6) yes
C33 . F2 . 1.317(7) yes
C33 . F3 . 1.336(8) yes
C34 . S2 . 1.794(5) yes
C34 . F4 . 1.333(5) yes
C34 . F5 . 1.337(5) yes
C34 . F6 . 1.336(5) yes
S1 . O1 . 1.433(4) yes
S1 . O2 . 1.421(5) yes
S1 . O3 . 1.429(4) yes
S2 . O4 . 1.429(3) yes
S2 . O5 . 1.441(3) yes
S2 . O6 . 1.436(3) yes
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30652634
