#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:21:28 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179839 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/35/7013594.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_7013594
loop_
_publ_author_name
'Kilian, Petr'
'Slawin, Alexandra M. Z.'
'Woollins, J. Derek'
_publ_section_title
;
 A structural study of 1,8-bis(dimethyl phosphonito) naphthalene and
 related crowded chalcogeno derivatives
;
_journal_issue                   20
_journal_name_full               'Dalton Transactions'
_journal_page_first              3876
_journal_paper_doi               10.1039/b310392g
_journal_year                    2003
_chemical_formula_sum            'C14 H18 O4 P2 Se2'
_chemical_formula_weight         470.14
_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
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.390(2)
_cell_angle_beta                 99.658(2)
_cell_angle_gamma                108.660(2)
_cell_formula_units_Z            4
_cell_length_a                   9.9621(14)
_cell_length_b                   14.375(2)
_cell_length_c                   14.560(2)
_cell_measurement_reflns_used    115
_cell_measurement_temperature    125(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      12
_cell_volume                     1741.1(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      125(2)
_diffrn_detector_area_resol_mean 0.9
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0462
_diffrn_reflns_av_sigmaI/netI    0.0366
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8680
_diffrn_reflns_theta_full        23.50
_diffrn_reflns_theta_max         23.50
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    4.444
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.694566
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.794
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             928
_exptl_crystal_size_max          .1
_exptl_crystal_size_mid          .1
_exptl_crystal_size_min          .1
_refine_diff_density_max         0.455
_refine_diff_density_min         -0.409
_refine_diff_density_rms         0.086
_refine_ls_extinction_coef       0.0022(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     398
_refine_ls_number_reflns         4918
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0269
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0426P)²+0.2121P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0664
_refine_ls_wR_factor_ref         0.0684
_reflns_number_gt                4313
_reflns_number_total             4918
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b310392g.txt
_cod_data_source_block           7
_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 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7013594
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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Se1 Se -0.24415(4) 0.25645(3) 0.59307(3) 0.02665(11) Uani 1 1 d . . .
P1 P -0.23927(9) 0.17515(6) 0.44305(6) 0.01719(19) Uani 1 1 d . . .
C1 C -0.1551(3) 0.0780(2) 0.4262(2) 0.0182(7) Uani 1 1 d . . .
C2 C -0.2287(3) -0.0008(2) 0.4549(2) 0.0213(7) Uani 1 1 d . . .
H2A H -0.2887 0.0141 0.4978 0.026 Uiso 1 1 calc R . .
C3 C -0.2179(4) -0.1016(3) 0.4229(3) 0.0252(8) Uani 1 1 d . . .
H3A H -0.2632 -0.1518 0.4482 0.030 Uiso 1 1 calc R . .
C4 C -0.1419(4) -0.1268(2) 0.3553(3) 0.0215(7) Uani 1 1 d . . .
H4A H -0.1421 -0.1979 0.3284 0.026 Uiso 1 1 calc R . .
C5 C -0.0620(3) -0.0490(2) 0.3241(2) 0.0198(7) Uani 1 1 d . . .
C6 C 0.0116(4) -0.0794(3) 0.2509(3) 0.0241(8) Uani 1 1 d . . .
H6A H 0.0051 -0.1522 0.2221 0.029 Uiso 1 1 calc R . .
C7 C 0.0918(4) -0.0059(2) 0.2210(2) 0.0232(7) Uani 1 1 d . . .
H7A H 0.1307 -0.0287 0.1656 0.028 Uiso 1 1 calc R . .
C8 C 0.1157(4) 0.1044(3) 0.2742(2) 0.0214(7) Uani 1 1 d . . .
H8A H 0.1794 0.1570 0.2582 0.026 Uiso 1 1 calc R . .
C9 C 0.0507(3) 0.1393(2) 0.3487(2) 0.0168(7) Uani 1 1 d . . .
C10 C -0.0559(3) 0.0601(2) 0.3681(2) 0.0172(7) Uani 1 1 d . . .
P9 P 0.15658(9) 0.28474(6) 0.43536(6) 0.01575(19) Uani 1 1 d . . .
Se9 Se 0.16584(4) 0.39514(2) 0.37272(3) 0.02177(11) Uani 1 1 d . . .
O11 O -0.4023(2) 0.10299(16) 0.35805(16) 0.0216(5) Uani 1 1 d . . .
C11 C -0.5336(4) 0.0455(3) 0.3775(3) 0.0328(9) Uani 1 1 d . . .
H11A H -0.6197 0.0071 0.3136 0.049 Uiso 1 1 calc R . .
H11B H -0.5531 0.0983 0.4326 0.049 Uiso 1 1 calc R . .
H11C H -0.5171 -0.0079 0.3995 0.049 Uiso 1 1 calc R . .
O12 O -0.1658(2) 0.24438(16) 0.38799(17) 0.0204(5) Uani 1 1 d . . .
C12 C -0.2178(4) 0.3251(3) 0.3784(3) 0.0260(8) Uani 1 1 d . . .
H12A H -0.1616 0.3610 0.3426 0.039 Uiso 1 1 calc R . .
H12B H -0.2022 0.3802 0.4479 0.039 Uiso 1 1 calc R . .
H12C H -0.3246 0.2884 0.3381 0.039 Uiso 1 1 calc R . .
O13 O 0.3188(2) 0.29289(17) 0.48285(17) 0.0218(5) Uani 1 1 d . . .
C13 C 0.4442(4) 0.3252(3) 0.4475(3) 0.0296(8) Uani 1 1 d . . .
H13A H 0.5304 0.3233 0.4893 0.044 Uiso 1 1 calc R . .
H13B H 0.4691 0.3999 0.4550 0.044 Uiso 1 1 calc R . .
H13C H 0.4186 0.2745 0.3741 0.044 Uiso 1 1 calc R . .
O14 O 0.1007(2) 0.29916(16) 0.53281(16) 0.0190(5) Uani 1 1 d . . .
C14 C 0.1442(4) 0.4069(2) 0.6158(3) 0.0246(8) Uani 1 1 d . . .
H14A H 0.0993 0.4002 0.6694 0.037 Uiso 1 1 calc R . .
H14B H 0.1095 0.4507 0.5880 0.037 Uiso 1 1 calc R . .
H14C H 0.2535 0.4429 0.6466 0.037 Uiso 1 1 calc R . .
Se21 Se -0.75648(4) 0.78407(3) 1.12360(3) 0.02720(11) Uani 1 1 d . . .
P21 P -0.78548(9) 0.67828(6) 0.97203(6) 0.01695(19) Uani 1 1 d . . .
C21 C -0.7054(3) 0.5787(2) 0.9539(2) 0.0174(7) Uani 1 1 d . . .
C22 C -0.7804(3) 0.5027(2) 0.9856(2) 0.0208(7) Uani 1 1 d . . .
H22A H -0.8423 0.5190 1.0264 0.025 Uiso 1 1 calc R . .
C23 C -0.7675(4) 0.4030(2) 0.9593(2) 0.0221(7) Uani 1 1 d . . .
H23A H -0.8146 0.3547 0.9859 0.027 Uiso 1 1 calc R . .
C24 C -0.6871(4) 0.3758(2) 0.8957(3) 0.0218(7) Uani 1 1 d . . .
H24A H -0.6845 0.3058 0.8738 0.026 Uiso 1 1 calc R . .
C25 C -0.6069(3) 0.4501(2) 0.8611(2) 0.0180(7) Uani 1 1 d . . .
C26 C -0.5321(4) 0.4149(3) 0.7895(2) 0.0227(7) Uani 1 1 d . . .
H26A H -0.5343 0.3434 0.7672 0.027 Uiso 1 1 calc R . .
C27 C -0.4571(4) 0.4831(3) 0.7526(3) 0.0241(7) Uani 1 1 d . . .
H27A H -0.4168 0.4570 0.6988 0.029 Uiso 1 1 calc R . .
C28 C -0.4402(3) 0.5927(2) 0.7955(2) 0.0213(7) Uani 1 1 d . . .
H28A H -0.3832 0.6410 0.7722 0.026 Uiso 1 1 calc R . .
C29 C -0.5030(3) 0.6328(2) 0.8698(2) 0.0152(7) Uani 1 1 d . . .
C30 C -0.6052(3) 0.5582(2) 0.8968(2) 0.0159(7) Uani 1 1 d . . .
P29 P -0.40280(9) 0.78094(6) 0.94381(6) 0.01583(18) Uani 1 1 d . . .
Se29 Se -0.40848(4) 0.87596(3) 0.86550(3) 0.02235(11) Uani 1 1 d . . .
O31 O -0.9620(2) 0.60564(16) 0.91940(16) 0.0201(5) Uani 1 1 d . . .
C31 C -1.0247(4) 0.5162(3) 0.8144(2) 0.0239(7) Uani 1 1 d . . .
H31A H -1.1338 0.4814 0.7958 0.036 Uiso 1 1 calc R . .
H31B H -0.9839 0.4618 0.8112 0.036 Uiso 1 1 calc R . .
H31C H -0.9985 0.5451 0.7653 0.036 Uiso 1 1 calc R . .
O32 O -0.7376(2) 0.72609(16) 0.89472(16) 0.0190(5) Uani 1 1 d . . .
C32 C -0.7847(4) 0.8084(3) 0.8837(3) 0.0245(8) Uani 1 1 d . . .
H32A H -0.7460 0.8291 0.8332 0.037 Uiso 1 1 calc R . .
H32B H -0.7456 0.8734 0.9513 0.037 Uiso 1 1 calc R . .
H32C H -0.8943 0.7783 0.8593 0.037 Uiso 1 1 calc R . .
O33 O -0.2358(2) 0.79732(16) 0.99301(16) 0.0205(5) Uani 1 1 d . . .
C33 C -0.1162(4) 0.8220(3) 0.9505(3) 0.0303(8) Uani 1 1 d . . .
H33A H -0.0255 0.8278 0.9951 0.045 Uiso 1 1 calc R . .
H33B H -0.0972 0.8918 0.9473 0.045 Uiso 1 1 calc R . .
H33C H -0.1445 0.7633 0.8802 0.045 Uiso 1 1 calc R . .
O34 O -0.4525(2) 0.80564(16) 1.04390(16) 0.0188(5) Uani 1 1 d . . .
C34 C -0.3862(4) 0.9170(2) 1.1279(3) 0.0259(8) Uani 1 1 d . . .
H34A H -0.4290 0.9184 1.1841 0.039 Uiso 1 1 calc R . .
H34B H -0.4073 0.9662 1.1015 0.039 Uiso 1 1 calc R . .
H34C H -0.2777 0.9413 1.1549 0.039 Uiso 1 1 calc R . .
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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
_geom_angle_publ_flag
O12 P1 O11 98.89(12) . . ?
O12 P1 C1 104.11(13) . . ?
O11 P1 C1 103.43(13) . . ?
O12 P1 Se1 119.30(9) . . ?
O11 P1 Se1 113.06(9) . . ?
C1 P1 Se1 115.68(10) . . ?
C2 C1 C10 119.5(3) . . ?
C2 C1 P1 110.1(2) . . ?
C10 C1 P1 128.5(2) . . ?
C1 C2 C3 122.2(3) . . ?
C4 C3 C2 119.3(3) . . ?
C3 C4 C5 121.1(3) . . ?
C6 C5 C4 119.5(3) . . ?
C6 C5 C10 120.9(3) . . ?
C4 C5 C10 119.6(3) . . ?
C7 C6 C5 120.9(3) . . ?
C6 C7 C8 118.4(3) . . ?
C9 C8 C7 122.7(3) . . ?
C8 C9 C10 119.7(3) . . ?
C8 C9 P9 110.8(2) . . ?
C10 C9 P9 126.9(2) . . ?
C1 C10 C5 116.9(3) . . ?
C1 C10 C9 127.3(3) . . ?
C5 C10 C9 115.8(3) . . ?
O14 P9 O13 99.47(12) . . ?
O14 P9 C9 102.65(13) . . ?
O13 P9 C9 103.08(13) . . ?
O14 P9 Se9 119.07(9) . . ?
O13 P9 Se9 111.95(8) . . ?
C9 P9 Se9 117.97(10) . . ?
C11 O11 P1 124.6(2) . . ?
C12 O12 P1 119.3(2) . . ?
C13 O13 P9 125.5(2) . . ?
C14 O14 P9 120.64(19) . . ?
O32 P21 O31 104.99(11) . . ?
O32 P21 C21 102.34(13) . . ?
O31 P21 C21 104.40(13) . . ?
O32 P21 Se21 120.07(9) . . ?
O31 P21 Se21 105.37(9) . . ?
C21 P21 Se21 118.03(10) . . ?
C22 C21 C30 119.9(3) . . ?
C22 C21 P21 109.1(2) . . ?
C30 C21 P21 129.8(2) . . ?
C21 C22 C23 122.0(3) . . ?
C24 C23 C22 119.5(3) . . ?
C23 C24 C25 121.2(3) . . ?
C24 C25 C26 118.8(3) . . ?
C24 C25 C30 120.0(3) . . ?
C26 C25 C30 121.2(3) . . ?
C27 C26 C25 120.4(3) . . ?
C26 C27 C28 119.0(3) . . ?
C29 C28 C27 122.6(3) . . ?
C28 C29 C30 119.7(3) . . ?
C28 C29 P29 110.5(2) . . ?
C30 C29 P29 127.7(2) . . ?
C21 C30 C25 116.6(3) . . ?
C21 C30 C29 127.8(3) . . ?
C25 C30 C29 115.6(3) . . ?
O34 P29 O33 99.46(12) . . ?
O34 P29 C29 102.77(13) . . ?
O33 P29 C29 103.03(12) . . ?
O34 P29 Se29 118.95(9) . . ?
O33 P29 Se29 111.96(8) . . ?
C29 P29 Se29 118.02(10) . . ?
C31 O31 P21 121.29(19) . . ?
C32 O32 P21 119.8(2) . . ?
C33 O33 P29 125.4(2) . . ?
C34 O34 P29 119.69(19) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Se1 P1 2.0854(9) . ?
P1 O12 1.575(2) . ?
P1 O11 1.599(2) . ?
P1 C1 1.812(3) . ?
C1 C2 1.383(4) . ?
C1 C10 1.429(5) . ?
C2 C3 1.397(4) . ?
C3 C4 1.356(5) . ?
C4 C5 1.420(4) . ?
C5 C6 1.412(5) . ?
C5 C10 1.437(4) . ?
C6 C7 1.363(5) . ?
C7 C8 1.403(4) . ?
C8 C9 1.377(5) . ?
C9 C10 1.437(4) . ?
C9 P9 1.815(3) . ?
P9 O14 1.578(2) . ?
P9 O13 1.597(2) . ?
P9 Se9 2.0854(8) . ?
O11 C11 1.441(4) . ?
O12 C12 1.453(4) . ?
O13 C13 1.434(4) . ?
O14 C14 1.441(4) . ?
Se21 P21 2.0792(9) . ?
P21 O32 1.582(2) . ?
P21 O31 1.600(2) . ?
P21 C21 1.811(3) . ?
C21 C22 1.388(4) . ?
C21 C30 1.436(5) . ?
C22 C23 1.397(4) . ?
C23 C24 1.356(5) . ?
C24 C25 1.419(4) . ?
C25 C26 1.420(5) . ?
C25 C30 1.440(4) . ?
C26 C27 1.363(5) . ?
C27 C28 1.406(4) . ?
C28 C29 1.377(5) . ?
C29 C30 1.444(4) . ?
C29 P29 1.816(3) . ?
P29 O34 1.572(2) . ?
P29 O33 1.601(2) . ?
P29 Se29 2.0815(8) . ?
O31 C31 1.454(4) . ?
O32 C32 1.454(4) . ?
O33 C33 1.437(4) . ?
O34 C34 1.456(4) . ?
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
O12 P1 C1 C2 -169.5(2) . . . . ?
O11 P1 C1 C2 -66.6(2) . . . . ?
Se1 P1 C1 C2 57.6(2) . . . . ?
O12 P1 C1 C10 -5.4(3) . . . . ?
O11 P1 C1 C10 97.6(3) . . . . ?
Se1 P1 C1 C10 -138.3(2) . . . . ?
C10 C1 C2 C3 -4.6(5) . . . . ?
P1 C1 C2 C3 161.2(3) . . . . ?
C1 C2 C3 C4 -4.9(5) . . . . ?
C2 C3 C4 C5 5.8(5) . . . . ?
C3 C4 C5 C6 -177.9(3) . . . . ?
C3 C4 C5 C10 2.8(4) . . . . ?
C4 C5 C6 C7 -178.6(3) . . . . ?
C10 C5 C6 C7 0.8(5) . . . . ?
C5 C6 C7 C8 8.0(5) . . . . ?
C6 C7 C8 C9 -5.9(5) . . . . ?
C7 C8 C9 C10 -5.3(5) . . . . ?
C7 C8 C9 P9 157.6(3) . . . . ?
C2 C1 C10 C5 12.7(4) . . . . ?
P1 C1 C10 C5 -150.2(2) . . . . ?
C2 C1 C10 C9 -167.1(3) . . . . ?
P1 C1 C10 C9 30.1(5) . . . . ?
C6 C5 C10 C1 168.8(3) . . . . ?
C4 C5 C10 C1 -11.8(4) . . . . ?
C6 C5 C10 C9 -11.4(4) . . . . ?
C4 C5 C10 C9 167.9(3) . . . . ?
C8 C9 C10 C1 -166.8(3) . . . . ?
P9 C9 C10 C1 33.4(4) . . . . ?
C8 C9 C10 C5 13.5(4) . . . . ?
P9 C9 C10 C5 -146.4(2) . . . . ?
C8 C9 P9 O14 -161.6(2) . . . . ?
C10 C9 P9 O14 -0.3(3) . . . . ?
C8 C9 P9 O13 -58.6(2) . . . . ?
C10 C9 P9 O13 102.7(3) . . . . ?
C8 C9 P9 Se9 65.3(2) . . . . ?
C10 C9 P9 Se9 -133.4(2) . . . . ?
O12 P1 O11 C11 -161.6(2) . . . . ?
C1 P1 O11 C11 91.5(3) . . . . ?
Se1 P1 O11 C11 -34.4(3) . . . . ?
O11 P1 O12 C12 68.2(2) . . . . ?
C1 P1 O12 C12 174.6(2) . . . . ?
Se1 P1 O12 C12 -54.6(2) . . . . ?
O14 P9 O13 C13 -155.9(2) . . . . ?
C9 P9 O13 C13 98.7(3) . . . . ?
Se9 P9 O13 C13 -29.1(3) . . . . ?
O13 P9 O14 C14 81.9(2) . . . . ?
C9 P9 O14 C14 -172.3(2) . . . . ?
Se9 P9 O14 C14 -39.8(2) . . . . ?
O32 P21 C21 C22 -158.5(2) . . . . ?
O31 P21 C21 C22 -49.2(2) . . . . ?
Se21 P21 C21 C22 67.3(2) . . . . ?
O32 P21 C21 C30 8.4(3) . . . . ?
O31 P21 C21 C30 117.6(3) . . . . ?
Se21 P21 C21 C30 -125.8(3) . . . . ?
C30 C21 C22 C23 -3.2(5) . . . . ?
P21 C21 C22 C23 165.1(3) . . . . ?
C21 C22 C23 C24 -4.2(5) . . . . ?
C22 C23 C24 C25 4.6(5) . . . . ?
C23 C24 C25 C26 -176.2(3) . . . . ?
C23 C24 C25 C30 2.4(5) . . . . ?
C24 C25 C26 C27 178.4(3) . . . . ?
C30 C25 C26 C27 -0.3(5) . . . . ?
C25 C26 C27 C28 7.3(5) . . . . ?
C26 C27 C28 C29 -3.4(5) . . . . ?
C27 C28 C29 C30 -7.7(5) . . . . ?
C27 C28 C29 P29 157.1(3) . . . . ?
C22 C21 C30 C25 9.8(4) . . . . ?
P21 C21 C30 C25 -155.9(2) . . . . ?
C22 C21 C30 C29 -170.9(3) . . . . ?
P21 C21 C30 C29 23.5(5) . . . . ?
C24 C25 C30 C21 -9.4(4) . . . . ?
C26 C25 C30 C21 169.2(3) . . . . ?
C24 C25 C30 C29 171.1(3) . . . . ?
C26 C25 C30 C29 -10.3(4) . . . . ?
C28 C29 C30 C21 -165.4(3) . . . . ?
P29 C29 C30 C21 32.6(4) . . . . ?
C28 C29 C30 C25 14.0(4) . . . . ?
P29 C29 C30 C25 -148.0(2) . . . . ?
C28 C29 P29 O34 -162.1(2) . . . . ?
C30 C29 P29 O34 1.2(3) . . . . ?
C28 C29 P29 O33 -59.1(2) . . . . ?
C30 C29 P29 O33 104.3(3) . . . . ?
C28 C29 P29 Se29 64.8(2) . . . . ?
C30 C29 P29 Se29 -131.8(2) . . . . ?
O32 P21 O31 C31 56.7(2) . . . . ?
C21 P21 O31 C31 -50.6(2) . . . . ?
Se21 P21 O31 C31 -175.61(19) . . . . ?
O31 P21 O32 C32 69.5(2) . . . . ?
C21 P21 O32 C32 178.3(2) . . . . ?
Se21 P21 O32 C32 -48.6(2) . . . . ?
O34 P29 O33 C33 -157.8(2) . . . . ?
C29 P29 O33 C33 96.7(3) . . . . ?
Se29 P29 O33 C33 -31.1(3) . . . . ?
O33 P29 O34 C34 69.6(2) . . . . ?
C29 P29 O34 C34 175.4(2) . . . . ?
Se29 P29 O34 C34 -52.1(2) . . . . ?
