#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:48:26 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179207 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/39/4313905.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_4313905
loop_
_publ_author_name
'Tarlok S. Lobana'
Rimple
'Alfonso Castineiras'
'Peter Turner'
_publ_section_title
;
 Copper-Selenium Interactions: Influence of Alkane Spacer and Halide Anion
 in the Synthesis of Unusual Polynuclear Copper(I) Complexes with
 Bis(diphenylselenophosphinyl)alkanes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4731
_journal_page_last               4737
_journal_paper_doi               10.1021/ic034010n
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C54 H50 Br2 Cu2 N2 P4 Se4'
_chemical_formula_weight         1453.58
_chemical_name_systematic
; 
 ? 
;
_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
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.520(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.221(2)
_cell_length_b                   15.965(2)
_cell_length_c                   14.204(2)
_cell_measurement_reflns_used    919
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.935
_cell_measurement_theta_min      2.29
_cell_volume                     2762.7(7)
_computing_cell_refinement       'SMART Software (Bruker, 1997)'
_computing_data_collection       'SMART Software (Bruker, 1997)'
_computing_data_reduction        'SAINT Software (Bruker, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2002)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART CCD-1000'
_diffrn_measurement_method       '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  0.0474
_diffrn_reflns_av_sigmaI/netI    0.1083
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            17145
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         1.92
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    5.005
_exptl_absorpt_correction_T_max  0.7880
_exptl_absorpt_correction_T_min  0.6345
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.747
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1424
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.765
_refine_diff_density_min         -0.846
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         4708
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.1174
_refine_ls_R_factor_gt           0.0516
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0194P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0891
_refine_ls_wR_factor_ref         0.1365
_reflns_number_gt                2491
_reflns_number_total             4708
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034010nsi20030421_075559_3.cif
_cod_data_source_block           02il01
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4313905
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'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_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
Cu1 Cu 0.41758(11) -0.00368(9) 0.58120(9) 0.0545(4) Uani 1 1 d . . .
Br1 Br 0.44111(9) 0.04388(7) 0.74159(7) 0.0485(3) Uani 1 1 d . . .
Se1 Se 0.42522(8) 0.09919(6) 0.44624(7) 0.0373(3) Uani 1 1 d . . .
Se2 Se 0.24424(8) -0.07709(7) 0.56635(7) 0.0423(3) Uani 1 1 d . . .
P1 P 0.5134(2) 0.20401(16) 0.50969(17) 0.0309(6) Uani 1 1 d . . .
P2 P 0.2467(2) -0.14160(16) 0.43524(18) 0.0349(6) Uani 1 1 d . . .
C1 C 0.6189(7) 0.1703(6) 0.5998(6) 0.032(2) Uani 1 1 d . . .
H1A H 0.5900 0.1225 0.6320 0.038 Uiso 1 1 d R . .
H1B H 0.6289 0.2150 0.6459 0.038 Uiso 1 1 d R . .
C11 C 0.5746(8) 0.2700(6) 0.4244(7) 0.040(3) Uani 1 1 d . . .
C12 C 0.5701(9) 0.2468(7) 0.3303(7) 0.055(3) Uani 1 1 d . . .
H12 H 0.5356 0.1971 0.3105 0.066 Uiso 1 1 d R . .
C13 C 0.6162(12) 0.2972(10) 0.2665(9) 0.085(5) Uani 1 1 d . . .
H13 H 0.6131 0.2818 0.2032 0.102 Uiso 1 1 d R . .
C14 C 0.6664(12) 0.3701(12) 0.2954(13) 0.108(7) Uani 1 1 d . . .
H14 H 0.7000 0.4029 0.2519 0.130 Uiso 1 1 d R . .
C15 C 0.6691(11) 0.3949(9) 0.3878(12) 0.097(6) Uani 1 1 d . . .
H15 H 0.6995 0.4462 0.4064 0.116 Uiso 1 1 d R . .
C16 C 0.6242(9) 0.3440(7) 0.4511(9) 0.064(3) Uani 1 1 d . . .
H16 H 0.6285 0.3597 0.5144 0.077 Uiso 1 1 d R . .
C21 C 0.4210(8) 0.2711(6) 0.5672(7) 0.035(2) Uani 1 1 d . . .
C22 C 0.3506(9) 0.3233(7) 0.5105(8) 0.058(3) Uani 1 1 d . . .
H22 H 0.3555 0.3242 0.4455 0.069 Uiso 1 1 d R . .
C23 C 0.2753(9) 0.3729(7) 0.5497(9) 0.064(3) Uani 1 1 d . . .
H23 H 0.2301 0.4082 0.5117 0.077 Uiso 1 1 d R . .
C24 C 0.2659(10) 0.3702(7) 0.6461(9) 0.065(4) Uani 1 1 d . . .
H24 H 0.2142 0.4033 0.6731 0.079 Uiso 1 1 d R . .
C25 C 0.3319(9) 0.3202(7) 0.7008(8) 0.057(3) Uani 1 1 d . . .
H25 H 0.3265 0.3199 0.7657 0.068 Uiso 1 1 d R . .
C26 C 0.4087(8) 0.2689(6) 0.6624(7) 0.045(3) Uani 1 1 d . . .
H26 H 0.4516 0.2328 0.7012 0.054 Uiso 1 1 d R . .
C31 C 0.1669(7) -0.2372(6) 0.4344(6) 0.036(2) Uani 1 1 d . . .
C32 C 0.1215(8) -0.2656(7) 0.5155(7) 0.049(3) Uani 1 1 d . . .
H32 H 0.1294 -0.2347 0.5711 0.059 Uiso 1 1 d R . .
C33 C 0.0636(8) -0.3414(7) 0.5119(8) 0.056(3) Uani 1 1 d . . .
H33 H 0.0317 -0.3606 0.5651 0.067 Uiso 1 1 d R . .
C34 C 0.0534(9) -0.3879(7) 0.4295(8) 0.062(3) Uani 1 1 d . . .
H34 H 0.0145 -0.4380 0.4280 0.074 Uiso 1 1 d R . .
C35 C 0.0995(9) -0.3620(7) 0.3515(8) 0.058(3) Uani 1 1 d . . .
H35 H 0.0938 -0.3946 0.2971 0.070 Uiso 1 1 d R . .
C36 C 0.1560(8) -0.2858(7) 0.3526(8) 0.052(3) Uani 1 1 d . . .
H36 H 0.1867 -0.2673 0.2984 0.062 Uiso 1 1 d R . .
C41 C 0.1854(8) -0.0792(6) 0.3402(7) 0.036(2) Uani 1 1 d . . .
C42 C 0.2326(10) -0.0635(7) 0.2559(7) 0.062(3) Uani 1 1 d . . .
H42 H 0.2995 -0.0877 0.2446 0.074 Uiso 1 1 d R . .
C43 C 0.1789(11) -0.0125(8) 0.1889(8) 0.076(4) Uani 1 1 d . . .
H43 H 0.2117 -0.0014 0.1333 0.091 Uiso 1 1 d R . .
C44 C 0.0797(10) 0.0222(7) 0.2022(8) 0.063(3) Uani 1 1 d . . .
H44 H 0.0439 0.0553 0.1554 0.075 Uiso 1 1 d R . .
C45 C 0.0334(9) 0.0079(8) 0.2835(8) 0.069(4) Uani 1 1 d . . .
H45 H -0.0338 0.0324 0.2935 0.083 Uiso 1 1 d R . .
C46 C 0.0847(9) -0.0421(8) 0.3516(8) 0.064(3) Uani 1 1 d . . .
H46 H 0.0512 -0.0514 0.4073 0.076 Uiso 1 1 d R . .
N1 N 0.1497(9) 0.2367(8) 0.3247(8) 0.091(4) Uani 1 1 d . . .
C2 C 0.1422(10) 0.2022(9) 0.3922(10) 0.068(4) Uani 1 1 d . . .
C3 C 0.1353(10) 0.1595(9) 0.4836(9) 0.090(5) Uani 1 1 d . . .
H3A H 0.1997 0.1259 0.4974 0.135 Uiso 1 1 d R . .
H3B H 0.0714 0.1243 0.4802 0.135 Uiso 1 1 d R . .
H3C H 0.1299 0.2005 0.5325 0.135 Uiso 1 1 d R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
Br1 Cu1 Se2 105.98(6) . . y
Br1 Cu1 Se1 107.72(6) . 3_656 y
Se2 Cu1 Se1 111.64(6) . 3_656 y
Br1 Cu1 Se1 120.35(7) . . y
Se2 Cu1 Se1 109.46(6) . . y
Se1 Cu1 Se1 101.68(6) 3_656 . y
Br1 Cu1 Cu1 129.93(8) . 3_656 ?
Se2 Cu1 Cu1 123.75(7) . 3_656 ?
Se1 Cu1 Cu1 51.18(5) 3_656 3_656 ?
Se1 Cu1 Cu1 50.50(5) . 3_656 ?
P1 Se1 Cu1 100.00(8) . 3_656 ?
P1 Se1 Cu1 103.58(8) . . ?
Cu1 Se1 Cu1 78.32(6) 3_656 . y
P1 Se1 Se1 105.28(8) . 3_656 ?
Cu1 Se1 Se1 39.39(4) 3_656 3_656 ?
Cu1 Se1 Se1 38.94(4) . 3_656 ?
P2 Se2 Cu1 103.78(8) . . ?
C21 P1 C11 105.3(4) . . ?
C21 P1 C1 106.9(4) . . ?
C11 P1 C1 109.6(4) . . ?
C21 P1 Se1 110.0(3) . . ?
C11 P1 Se1 113.1(4) . . ?
C1 P1 Se1 111.6(3) . . ?
C41 P2 C31 105.7(4) . . ?
C41 P2 C1 105.5(4) . 3_656 ?
C31 P2 C1 106.5(4) . 3_656 ?
C41 P2 Se2 110.8(3) . . ?
C31 P2 Se2 111.6(3) . . ?
C1 P2 Se2 115.9(3) 3_656 . ?
P2 C1 P1 119.2(5) 3_656 . ?
P2 C1 H1A 107.6 3_656 . ?
P1 C1 H1A 107.4 . . ?
P2 C1 H1B 107.6 3_656 . ?
P1 C1 H1B 107.5 . . ?
H1A C1 H1B 107.0 . . ?
C16 C11 C12 119(1) . . ?
C16 C11 P1 120.9(9) . . ?
C12 C11 P1 120.2(8) . . ?
C13 C12 C11 120(1) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.2 . . ?
C14 C13 C12 120(1) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C13 C14 C15 121(1) . . ?
C13 C14 H14 119.6 . . ?
C15 C14 H14 119.6 . . ?
C16 C15 C14 119(1) . . ?
C16 C15 H15 120.7 . . ?
C14 C15 H15 120.5 . . ?
C15 C16 C11 122(1) . . ?
C15 C16 H16 119.0 . . ?
C11 C16 H16 119.4 . . ?
C26 C21 C22 118.1(9) . . ?
C26 C21 P1 123.6(8) . . ?
C22 C21 P1 118.1(8) . . ?
C23 C22 C21 121(1) . . ?
C23 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
C22 C23 C24 120(1) . . ?
C22 C23 H23 120.2 . . ?
C24 C23 H23 120.1 . . ?
C25 C24 C23 120(1) . . ?
C25 C24 H24 119.9 . . ?
C23 C24 H24 120.1 . . ?
C24 C25 C26 121(1) . . ?
C24 C25 H25 119.4 . . ?
C26 C25 H25 119.3 . . ?
C21 C26 C25 120(1) . . ?
C21 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C32 C31 C36 119(1) . . ?
C32 C31 P2 121.2(8) . . ?
C36 C31 P2 119.4(8) . . ?
C31 C32 C33 119(1) . . ?
C31 C32 H32 120.5 . . ?
C33 C32 H32 120.6 . . ?
C34 C33 C32 120(1) . . ?
C34 C33 H33 119.7 . . ?
C32 C33 H33 119.9 . . ?
C35 C34 C33 121(1) . . ?
C35 C34 H34 119.5 . . ?
C33 C34 H34 119.4 . . ?
C34 C35 C36 120(1) . . ?
C34 C35 H35 120.2 . . ?
C36 C35 H35 120.1 . . ?
C31 C36 C35 121(1) . . ?
C31 C36 H36 119.6 . . ?
C35 C36 H36 119.9 . . ?
C46 C41 C42 117(1) . . ?
C46 C41 P2 118.1(8) . . ?
C42 C41 P2 124.8(8) . . ?
C43 C42 C41 120(1) . . ?
C43 C42 H42 120.2 . . ?
C41 C42 H42 120.2 . . ?
C44 C43 C42 122(1) . . ?
C44 C43 H43 119.3 . . ?
C42 C43 H43 119.0 . . ?
C45 C44 C43 119(1) . . ?
C45 C44 H44 120.3 . . ?
C43 C44 H44 120.4 . . ?
C44 C45 C46 120(1) . . ?
C44 C45 H45 119.7 . . ?
C46 C45 H45 119.9 . . ?
C45 C46 C41 122(1) . . ?
C45 C46 H46 119.0 . . ?
C41 C46 H46 119.1 . . ?
N1 C2 C3 178(2) . . ?
C2 C3 H3A 109.6 . . ?
C2 C3 H3B 109.3 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.6 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
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
Cu1 Br1 2.397(2) . y
Cu1 Se2 2.416(2) . y
Cu1 Se1 2.507(2) 3_656 y
Cu1 Se1 2.532(2) . y
Cu1 Cu1 3.182(3) 3_656 y
Se1 P1 2.150(3) . ?
Se1 Cu1 2.507(2) 3_656 ?
Se1 Se1 3.907(2) 3_656 y
Se2 P2 2.130(3) . ?
P1 C21 1.799(9) . ?
P1 C11 1.81(1) . ?
P1 C1 1.824(8) . ?
P2 C41 1.794(9) . ?
P2 C31 1.81(1) . ?
P2 C1 1.812(9) 3_656 ?
C1 P2 1.812(9) 3_656 ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C11 C16 1.37(1) . ?
C11 C12 1.38(1) . ?
C12 C13 1.37(2) . ?
C12 H12 0.9300 . ?
C13 C14 1.36(2) . ?
C13 H13 0.9300 . ?
C14 C15 1.37(2) . ?
C14 H14 0.9300 . ?
C15 C16 1.36(2) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C21 C26 1.37(1) . ?
C21 C22 1.41(1) . ?
C22 C23 1.37(1) . ?
C22 H22 0.9300 . ?
C23 C24 1.39(2) . ?
C23 H23 0.9300 . ?
C24 C25 1.34(1) . ?
C24 H24 0.9300 . ?
C25 C26 1.39(1) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C31 C32 1.39(1) . ?
C31 C36 1.39(1) . ?
C32 C33 1.40(1) . ?
C32 H32 0.9300 . ?
C33 C34 1.38(1) . ?
C33 H33 0.9300 . ?
C34 C35 1.35(1) . ?
C34 H34 0.9300 . ?
C35 C36 1.40(1) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C41 C46 1.39(1) . ?
C41 C42 1.39(1) . ?
C42 C43 1.39(1) . ?
C42 H42 0.9300 . ?
C43 C44 1.36(1) . ?
C43 H43 0.9300 . ?
C44 C45 1.35(2) . ?
C44 H44 0.9300 . ?
C45 C46 1.37(1) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
N1 C2 1.12(1) . ?
C2 C3 1.47(2) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
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
Br1 Cu1 Se1 P1 21.16(11) . . . . ?
Se2 Cu1 Se1 P1 144.20(9) . . . . ?
Se1 Cu1 Se1 P1 -97.61(9) 3_656 . . . ?
Cu1 Cu1 Se1 P1 -97.61(9) 3_656 . . . ?
Br1 Cu1 Se1 Cu1 118.77(9) . . . 3_656 ?
Se2 Cu1 Se1 Cu1 -118.19(8) . . . 3_656 ?
Se1 Cu1 Se1 Cu1 0.0 3_656 . . 3_656 ?
Br1 Cu1 Se1 Se1 118.77(9) . . . 3_656 ?
Se2 Cu1 Se1 Se1 -118.19(8) . . . 3_656 ?
Cu1 Cu1 Se1 Se1 0.0 3_656 . . 3_656 ?
Br1 Cu1 Se2 P2 -166.92(9) . . . . ?
Se1 Cu1 Se2 P2 -49.90(10) 3_656 . . . ?
Se1 Cu1 Se2 P2 61.89(10) . . . . ?
Cu1 Cu1 Se2 P2 7.00(13) 3_656 . . . ?
Cu1 Se1 P1 C21 -164.0(3) 3_656 . . . ?
Cu1 Se1 P1 C21 -83.7(4) . . . . ?
Se1 Se1 P1 C21 -123.9(3) 3_656 . . . ?
Cu1 Se1 P1 C11 78.6(3) 3_656 . . . ?
Cu1 Se1 P1 C11 158.8(3) . . . . ?
Se1 Se1 P1 C11 118.6(3) 3_656 . . . ?
Cu1 Se1 P1 C1 -45.5(3) 3_656 . . . ?
Cu1 Se1 P1 C1 34.8(3) . . . . ?
Se1 Se1 P1 C1 -5.5(3) 3_656 . . . ?
Cu1 Se2 P2 C41 -91.5(3) . . . . ?
Cu1 Se2 P2 C31 151.0(3) . . . . ?
Cu1 Se2 P2 C1 28.8(3) . . . 3_656 ?
C21 P1 C1 P2 -153.6(5) . . . 3_656 ?
C11 P1 C1 P2 -39.9(7) . . . 3_656 ?
Se1 P1 C1 P2 86.1(5) . . . 3_656 ?
C21 P1 C11 C16 53.2(10) . . . . ?
C1 P1 C11 C16 -61.5(10) . . . . ?
Se1 P1 C11 C16 173.3(8) . . . . ?
C21 P1 C11 C12 -125.7(8) . . . . ?
C1 P1 C11 C12 119.6(8) . . . . ?
Se1 P1 C11 C12 -5.6(9) . . . . ?
C16 C11 C12 C13 0.9(16) . . . . ?
P1 C11 C12 C13 179.8(9) . . . . ?
C11 C12 C13 C14 0(2) . . . . ?
C12 C13 C14 C15 -2(2) . . . . ?
C13 C14 C15 C16 2(2) . . . . ?
C14 C15 C16 C11 -1(2) . . . . ?
C12 C11 C16 C15 -0.1(17) . . . . ?
P1 C11 C16 C15 -179.0(10) . . . . ?
C11 P1 C21 C26 -139.5(9) . . . . ?
C1 P1 C21 C26 -22.9(10) . . . . ?
Se1 P1 C21 C26 98.4(8) . . . . ?
C11 P1 C21 C22 46.4(9) . . . . ?
C1 P1 C21 C22 162.9(8) . . . . ?
Se1 P1 C21 C22 -75.8(8) . . . . ?
C26 C21 C22 C23 2.6(16) . . . . ?
P1 C21 C22 C23 177.1(9) . . . . ?
C21 C22 C23 C24 -1.7(19) . . . . ?
C22 C23 C24 C25 1.2(19) . . . . ?
C23 C24 C25 C26 -1.5(19) . . . . ?
C22 C21 C26 C25 -3.0(15) . . . . ?
P1 C21 C26 C25 -177.1(8) . . . . ?
C24 C25 C26 C21 2.5(17) . . . . ?
C41 P2 C31 C32 -126.8(8) . . . . ?
C1 P2 C31 C32 121.3(8) 3_656 . . . ?
Se2 P2 C31 C32 -6.2(9) . . . . ?
C41 P2 C31 C36 56.9(9) . . . . ?
C1 P2 C31 C36 -55.0(9) 3_656 . . . ?
Se2 P2 C31 C36 177.5(7) . . . . ?
C36 C31 C32 C33 -1.6(15) . . . . ?
P2 C31 C32 C33 -177.9(8) . . . . ?
C31 C32 C33 C34 1.1(16) . . . . ?
C32 C33 C34 C35 0.6(18) . . . . ?
C33 C34 C35 C36 -1.9(18) . . . . ?
C32 C31 C36 C35 0.4(15) . . . . ?
P2 C31 C36 C35 176.7(8) . . . . ?
C34 C35 C36 C31 1.4(17) . . . . ?
C31 P2 C41 C46 73.0(9) . . . . ?
C1 P2 C41 C46 -174.4(8) 3_656 . . . ?
Se2 P2 C41 C46 -48.1(9) . . . . ?
C31 P2 C41 C42 -108.6(10) . . . . ?
C1 P2 C41 C42 4.1(10) 3_656 . . . ?
Se2 P2 C41 C42 130.3(9) . . . . ?
C46 C41 C42 C43 0.3(17) . . . . ?
P2 C41 C42 C43 -178.2(9) . . . . ?
C41 C42 C43 C44 -1(2) . . . . ?
C42 C43 C44 C45 1(2) . . . . ?
C43 C44 C45 C46 -1(2) . . . . ?
C44 C45 C46 C41 0(2) . . . . ?
C42 C41 C46 C45 0.0(17) . . . . ?
P2 C41 C46 C45 178.6(10) . . . . ?
