# Supplementary Material (ESI) for New Journal of Chemistry
# This journal is © The Royal Society of Chemistry and 
# The Centre National de la Recherche Scientifique, 1999
# CCDC Number: 440/136

data_inseph



_audit_creation_method            SHELXL-97

_chemical_name_systematic

;

 ?

;

_chemical_name_common             ?

_chemical_melting_point           ?

_chemical_formula_moiety          ?

_chemical_formula_sum

 'C36 H30 In2 Se6'

_chemical_formula_weight          1166.00



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'

 'Se'  'Se'  -0.0929   2.2259

 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

 'In'  'In'  -0.7276   1.3100

 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'



_symmetry_cell_setting            Triclinic

_symmetry_space_group_name_H-M    P-1



loop_

 _symmetry_equiv_pos_as_xyz

 'x, y, z'

 '-x, -y, -z'



_cell_length_a                    7.32070(10)

_cell_length_b                    11.0326(2)

_cell_length_c                    23.3628(4)

_cell_angle_alpha                 81.4900(10)

_cell_angle_beta                  86.2650(10)

_cell_angle_gamma                 84.3810(10)

_cell_volume                      1854.73(5)

_cell_formula_units_Z             2

_cell_measurement_temperature     222(2)

_cell_measurement_reflns_used     ?

_cell_measurement_theta_min       ?

_cell_measurement_theta_max       ?



_exptl_crystal_description        needle

_exptl_crystal_colour             'pale yellow'

_exptl_crystal_size_max           0.42

_exptl_crystal_size_mid           0.08

_exptl_crystal_size_min           0.05

_exptl_crystal_density_meas       ?

_exptl_crystal_density_diffrn     2.088

_exptl_crystal_density_method     'not measured'

_exptl_crystal_F_000              1096

_exptl_absorpt_coefficient_mu     7.155

_exptl_absorpt_correction_type    none

_exptl_absorpt_correction_T_min   0.1531

_exptl_absorpt_correction_T_max   0.7162

_exptl_absorpt_process_details    ?



_exptl_special_details

;

 ?

;



_diffrn_ambient_temperature       222(2)

_diffrn_radiation_wavelength      0.71073

_diffrn_radiation_type            MoK\a

_diffrn_radiation_source          'fine-focus sealed tube'

_diffrn_radiation_monochromator   graphite

_diffrn_measurement_device_type   ?

_diffrn_measurement_method        '\w scans'

_diffrn_detector_area_resol_mean  ?

_diffrn_standards_number          ?

_diffrn_standards_interval_count  ?

_diffrn_standards_interval_time   ?

_diffrn_standards_decay_%         ?

_diffrn_reflns_number             7960

_diffrn_reflns_av_R_equivalents   0.0000

_diffrn_reflns_av_sigmaI/netI     0.0788

_diffrn_reflns_limit_h_min        -9

_diffrn_reflns_limit_h_max        9

_diffrn_reflns_limit_k_min        -14

_diffrn_reflns_limit_k_max        14

_diffrn_reflns_limit_l_min        0

_diffrn_reflns_limit_l_max        29

_diffrn_reflns_theta_min          1.77

_diffrn_reflns_theta_max          28.27

_reflns_number_total              7960

_reflns_number_gt                 5513

_reflns_threshold_expression      >2sigma(I)



_computing_data_collection        'Siemens XSCANS'

_computing_cell_refinement        'Siemens XSCANS'

_computing_data_reduction         'Siemens SHELXTL'

_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)'

_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'

_computing_molecular_graphics     'Siemens SHELXTL'

_computing_publication_material   'Siemens SHELXTL'



_refine_special_details

;

 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and

 goodness of fit S are based on F^2^, conventional R-factors R are based

 on F, with F set to zero for negative F^2^. The threshold expression of

 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is

 not relevant to the choice of reflections for refinement.  R-factors based

 on F^2^ are statistically about twice as large as those based on F, and R-

 factors based on ALL data will be even larger.

;



_refine_ls_structure_factor_coef  Fsqd

_refine_ls_matrix_type            full

_refine_ls_weighting_scheme       calc

_refine_ls_weighting_details

 'calc w=1/[\s^2^(Fo^2^)+(0.0386P)^2^+1.1259P] where P=(Fo^2^+2Fc^2^)/3'

_atom_sites_solution_primary      direct

_atom_sites_solution_secondary    difmap

_atom_sites_solution_hydrogens    geom

_refine_ls_hydrogen_treatment     mixed

_refine_ls_extinction_method      SHELXL

_refine_ls_extinction_coef        0.00083(14)

_refine_ls_extinction_expression

 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^'

_refine_ls_number_reflns          7960

_refine_ls_number_parameters      398

_refine_ls_number_restraints      0

_refine_ls_R_factor_all           0.0896

_refine_ls_R_factor_gt            0.0533

_refine_ls_wR_factor_ref          0.1226

_refine_ls_wR_factor_gt           0.1048

_refine_ls_goodness_of_fit_ref    1.063

_refine_ls_restrained_S_all       1.063

_refine_ls_shift/su_max           0.161

_refine_ls_shift/su_mean          0.002



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

In1 In 0.36294(7) 0.51211(5) 0.24869(2) 0.02689(14) Uani 1 1 d . . .

In2 In -0.11210(7) 0.41115(5) 0.21378(2) 0.02887(15) Uani 1 1 d . . .

Se1 Se 0.36084(11) 0.70010(8) 0.30091(4) 0.0335(2) Uani 1 1 d . . .

Se2 Se 0.69831(10) 0.62351(7) 0.19614(3) 0.02778(18) Uani 1 1 d . . .

Se3 Se 0.56976(10) 0.30552(7) 0.26932(3) 0.02670(18) Uani 1 1 d . . .

Se4 Se 0.22452(10) 0.50348(7) 0.14961(3) 0.02742(18) Uani 1 1 d . . .

Se5 Se 0.04628(10) 0.42152(7) 0.31030(3) 0.02617(18) Uani 1 1 d . . .

Se6 Se -0.03809(11) 0.24995(8) 0.14598(4) 0.0348(2) Uani 1 1 d . . .

C16 C 0.1777(13) 0.6421(9) 0.4126(4) 0.045(2) Uani 1 1 d . . .

H16A H 0.2958 0.6110 0.4242 0.054 Uiso 1 1 calc R . .

C15 C 0.0317(17) 0.6399(12) 0.4534(5) 0.068(3) Uani 1 1 d . . .

H15A H 0.0509 0.6076 0.4923 0.082 Uiso 1 1 calc R . .

C14 C -0.1393(17) 0.6848(12) 0.4369(5) 0.070(4) Uani 1 1 d . . .

H14A H -0.2382 0.6837 0.4647 0.084 Uiso 1 1 calc R . .

C13 C -0.1702(14) 0.7322(11) 0.3796(6) 0.068(3) Uani 1 1 d . . .

H13A H -0.2893 0.7618 0.3685 0.081 Uiso 1 1 calc R . .

C12 C -0.0209(12) 0.7356(9) 0.3383(4) 0.045(2) Uani 1 1 d . . .

H12A H -0.0394 0.7693 0.2995 0.054 Uiso 1 1 calc R . .

C11 C 0.1538(11) 0.6888(7) 0.3551(4) 0.0321(18) Uani 1 1 d . . .

C26 C 0.7133(17) 0.5796(11) 0.0756(5) 0.065(3) Uani 1 1 d . . .

H26A H 0.7304 0.4949 0.0891 0.078 Uiso 1 1 calc R . .

C25 C 0.7084(19) 0.6219(14) 0.0169(5) 0.082(4) Uani 1 1 d . . .

H25A H 0.7237 0.5638 -0.0091 0.099 Uiso 1 1 calc R . .

C24 C 0.6836(15) 0.7386(13) -0.0045(5) 0.070(4) Uani 1 1 d . . .

H24A H 0.6823 0.7629 -0.0448 0.083 Uiso 1 1 calc R . .

C23 C 0.6594(15) 0.8251(11) 0.0327(5) 0.064(3) Uani 1 1 d . . .

H23A H 0.6367 0.9091 0.0183 0.077 Uiso 1 1 calc R . .

C22 C 0.6688(12) 0.7870(9) 0.0916(4) 0.046(2) Uani 1 1 d . . .

H22A H 0.6589 0.8459 0.1172 0.055 Uiso 1 1 calc R . .

C21 C 0.6928(10) 0.6631(8) 0.1134(4) 0.0323(18) Uani 1 1 d . . .

C36 C 0.5997(13) 0.1573(9) 0.3781(4) 0.053(3) Uani 1 1 d . . .

H36A H 0.6018 0.0939 0.3552 0.063 Uiso 1 1 calc R . .

C35 C 0.6098(15) 0.1295(12) 0.4380(6) 0.071(4) Uani 1 1 d . . .

H35A H 0.6186 0.0471 0.4558 0.085 Uiso 1 1 calc R . .

C34 C 0.6066(15) 0.2230(14) 0.4708(5) 0.071(4) Uani 1 1 d . . .

H34A H 0.6163 0.2043 0.5112 0.085 Uiso 1 1 calc R . .

C33 C 0.5898(14) 0.3419(12) 0.4458(4) 0.064(3) Uani 1 1 d . . .

H33A H 0.5831 0.4046 0.4693 0.077 Uiso 1 1 calc R . .

C32 C 0.5821(11) 0.3740(9) 0.3856(4) 0.044(2) Uani 1 1 d . . .

H32A H 0.5742 0.4568 0.3683 0.053 Uiso 1 1 calc R . .

C31 C 0.5865(10) 0.2791(8) 0.3525(3) 0.0306(18) Uani 1 1 d . . .

C46 C 0.1967(13) 0.7021(9) 0.0567(4) 0.048(2) Uani 1 1 d . . .

H46A H 0.2270 0.6392 0.0336 0.057 Uiso 1 1 calc R . .

C45 C 0.1648(17) 0.8241(11) 0.0307(5) 0.067(3) Uani 1 1 d . . .

H45A H 0.1713 0.8431 -0.0099 0.081 Uiso 1 1 calc R . .

C44 C 0.1241(13) 0.9164(10) 0.0641(5) 0.055(3) Uani 1 1 d . . .

H44A H 0.1068 0.9988 0.0466 0.066 Uiso 1 1 calc R . .

C43 C 0.1089(12) 0.8868(8) 0.1233(4) 0.044(2) Uani 1 1 d . . .

H43A H 0.0769 0.9498 0.1462 0.053 Uiso 1 1 calc R . .

C42 C 0.1389(11) 0.7686(8) 0.1497(4) 0.0351(19) Uani 1 1 d . . .

H42A H 0.1295 0.7506 0.1904 0.042 Uiso 1 1 calc R . .

C41 C 0.1837(9) 0.6743(7) 0.1160(3) 0.0277(17) Uani 1 1 d . . .

C56 C 0.0826(12) 0.2258(9) 0.4027(4) 0.044(2) Uani 1 1 d . . .

H56A H 0.0515 0.2899 0.4250 0.052 Uiso 1 1 calc R . .

C55 C 0.1135(14) 0.1044(11) 0.4302(5) 0.060(3) Uani 1 1 d . . .

H55A H 0.1064 0.0869 0.4709 0.072 Uiso 1 1 calc R . .

C54 C 0.1545(14) 0.0113(9) 0.3970(5) 0.053(3) Uani 1 1 d . . .

H54A H 0.1723 -0.0707 0.4150 0.064 Uiso 1 1 calc R . .

C53 C 0.1693(14) 0.0377(9) 0.3375(5) 0.053(3) Uani 1 1 d . . .

H53A H 0.1975 -0.0262 0.3150 0.064 Uiso 1 1 calc R . .

C52 C 0.1428(12) 0.1587(7) 0.3106(4) 0.037(2) Uani 1 1 d . . .

H52A H 0.1560 0.1765 0.2700 0.045 Uiso 1 1 calc R . .

C51 C 0.0977(10) 0.2518(7) 0.3428(4) 0.0305(18) Uani 1 1 d . . .

C66 C -0.2141(11) 0.0496(8) 0.2152(4) 0.038(2) Uani 1 1 d . . .

H66A H -0.1064 0.0367 0.2360 0.046 Uiso 1 1 calc R . .

C65 C -0.3566(12) -0.0256(8) 0.2307(4) 0.044(2) Uani 1 1 d . . .

H65A H -0.3442 -0.0902 0.2617 0.052 Uiso 1 1 calc R . .

C64 C -0.5135(12) -0.0062(8) 0.2014(4) 0.041(2) Uani 1 1 d . . .

H64A H -0.6099 -0.0564 0.2127 0.049 Uiso 1 1 calc R . .

C63 C -0.5323(13) 0.0870(9) 0.1550(4) 0.046(2) Uani 1 1 d . . .

H63A H -0.6406 0.0994 0.1346 0.056 Uiso 1 1 calc R . .

C62 C -0.3906(11) 0.1627(8) 0.1387(4) 0.042(2) Uani 1 1 d . . .

H62A H -0.4026 0.2263 0.1072 0.050 Uiso 1 1 calc R . .

C61 C -0.2322(10) 0.1433(7) 0.1691(3) 0.0294(17) Uani 1 1 d . . .



loop_

 _atom_site_aniso_label

 _atom_site_aniso_U_11

 _atom_site_aniso_U_22

 _atom_site_aniso_U_33

 _atom_site_aniso_U_23

 _atom_site_aniso_U_13

 _atom_site_aniso_U_12

In1 0.0240(3) 0.0273(3) 0.0302(3) -0.0064(2) -0.0058(2) 0.0002(2)

In2 0.0247(3) 0.0283(3) 0.0341(3) -0.0053(2) -0.0074(2) 0.0001(2)

Se1 0.0328(4) 0.0309(4) 0.0395(5) -0.0108(4) 0.0013(3) -0.0092(3)

Se2 0.0228(4) 0.0269(4) 0.0321(4) 0.0001(3) 0.0003(3) -0.0022(3)

Se3 0.0225(4) 0.0254(4) 0.0312(4) -0.0020(3) 0.0011(3) -0.0019(3)

Se4 0.0263(4) 0.0305(4) 0.0263(4) -0.0035(3) -0.0021(3) -0.0071(3)

Se5 0.0245(4) 0.0271(4) 0.0275(4) -0.0042(3) -0.0009(3) -0.0052(3)

Se6 0.0291(4) 0.0356(5) 0.0415(5) -0.0123(4) 0.0058(3) -0.0072(4)

C16 0.047(5) 0.052(6) 0.038(5) -0.011(4) -0.002(4) -0.002(4)

C15 0.074(8) 0.083(9) 0.045(7) -0.011(6) 0.016(6) -0.004(7)

C14 0.067(8) 0.078(9) 0.064(8) -0.017(7) 0.033(6) -0.013(7)

C13 0.038(6) 0.082(9) 0.086(9) -0.033(7) 0.020(6) -0.004(5)

C12 0.046(5) 0.051(6) 0.043(5) -0.017(5) 0.000(4) -0.006(5)

C11 0.029(4) 0.032(4) 0.039(5) -0.018(4) 0.001(3) -0.006(3)

C26 0.095(9) 0.055(7) 0.041(6) 0.004(5) -0.019(6) 0.000(6)

C25 0.123(12) 0.094(11) 0.028(6) -0.008(6) -0.019(6) 0.006(9)

C24 0.060(7) 0.099(10) 0.042(6) 0.016(7) -0.009(5) -0.003(7)

C23 0.060(7) 0.063(7) 0.061(8) 0.025(6) -0.009(6) -0.008(6)

C22 0.045(5) 0.043(5) 0.046(6) 0.007(4) 0.000(4) -0.004(4)

C21 0.027(4) 0.032(5) 0.034(5) 0.002(4) -0.001(3) 0.002(3)

C36 0.058(6) 0.047(6) 0.048(6) 0.016(5) -0.008(5) -0.011(5)

C35 0.054(7) 0.074(8) 0.074(9) 0.033(7) -0.014(6) -0.013(6)

C34 0.053(7) 0.124(12) 0.031(6) 0.011(7) -0.003(5) -0.011(7)

C33 0.059(7) 0.098(10) 0.031(5) -0.008(6) -0.013(5) 0.023(6)

C32 0.033(5) 0.053(6) 0.043(5) -0.006(5) -0.007(4) 0.013(4)

C31 0.021(4) 0.040(5) 0.030(4) 0.004(4) -0.007(3) -0.005(3)

C46 0.052(6) 0.052(6) 0.035(5) 0.000(4) 0.004(4) 0.002(5)

C45 0.089(9) 0.059(7) 0.041(6) 0.020(6) 0.000(6) 0.010(6)

C44 0.047(6) 0.041(6) 0.067(7) 0.016(5) -0.001(5) 0.001(5)

C43 0.041(5) 0.033(5) 0.060(6) -0.014(5) -0.005(5) -0.002(4)

C42 0.039(5) 0.036(5) 0.031(4) 0.000(4) -0.014(4) -0.007(4)

C41 0.017(3) 0.032(4) 0.034(4) -0.004(3) 0.003(3) -0.005(3)

C56 0.046(5) 0.041(5) 0.041(5) -0.008(4) 0.008(4) 0.006(4)

C55 0.059(7) 0.071(8) 0.040(6) 0.022(6) -0.003(5) -0.006(6)

C54 0.057(6) 0.037(5) 0.060(7) 0.019(5) -0.014(5) -0.003(5)

C53 0.065(7) 0.035(5) 0.060(7) -0.009(5) -0.009(5) -0.002(5)

C52 0.047(5) 0.025(4) 0.038(5) -0.002(4) -0.009(4) 0.002(4)

C51 0.020(4) 0.036(5) 0.036(5) -0.003(4) -0.004(3) -0.005(3)

C66 0.033(4) 0.030(5) 0.051(6) -0.009(4) -0.008(4) 0.005(4)

C65 0.049(5) 0.028(5) 0.054(6) -0.003(4) 0.004(4) -0.010(4)

C64 0.038(5) 0.040(5) 0.048(6) -0.010(4) -0.002(4) -0.015(4)

C63 0.044(5) 0.054(6) 0.044(6) -0.003(5) -0.014(4) -0.017(5)

C62 0.035(5) 0.045(5) 0.044(5) 0.003(4) -0.008(4) -0.010(4)

C61 0.027(4) 0.026(4) 0.034(4) -0.004(3) 0.000(3) 0.001(3)



_geom_special_details

;

 All esds (except the esd in the dihedral angle between two l.s. planes)

 are estimated using the full covariance matrix.  The cell esds are taken

 into account individually in the estimation of esds in distances, angles

 and torsion angles; correlations between esds in cell parameters are only

 used when they are defined by crystal symmetry.  An approximate (isotropic)

 treatment of cell esds is used for estimating esds involving l.s. planes.

;



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

In1 Se1 2.5555(10) . ?

In1 Se4 2.6044(10) . ?

In1 Se3 2.6103(9) . ?

In1 Se5 2.8351(9) . ?

In1 Se2 2.9660(9) . ?

In2 Se6 2.5493(10) . ?

In2 Se2 2.5957(10) 1_455 ?

In2 Se5 2.6240(10) . ?

In2 Se3 2.8559(9) 1_455 ?

In2 Se4 2.9860(9) . ?

Se1 C11 1.913(8) . ?

Se2 C21 1.920(8) . ?

Se2 In2 2.5957(10) 1_655 ?

Se3 C31 1.931(8) . ?

Se3 In2 2.8559(9) 1_655 ?

Se4 C41 1.933(8) . ?

Se5 C51 1.924(8) . ?

Se6 C61 1.932(8) . ?

C16 C11 1.380(12) . ?

C16 C15 1.386(13) . ?

C15 C14 1.359(16) . ?

C14 C13 1.388(17) . ?

C13 C12 1.410(13) . ?

C12 C11 1.390(12) . ?

C26 C21 1.359(13) . ?

C26 C25 1.385(14) . ?

C25 C24 1.309(17) . ?

C24 C23 1.375(16) . ?

C23 C22 1.382(14) . ?

C22 C21 1.385(12) . ?

C36 C31 1.385(12) . ?

C36 C35 1.394(15) . ?

C35 C34 1.371(17) . ?

C34 C33 1.353(17) . ?

C33 C32 1.402(13) . ?

C32 C31 1.387(12) . ?

C46 C41 1.375(12) . ?

C46 C45 1.396(13) . ?

C45 C44 1.371(15) . ?

C44 C43 1.374(14) . ?

C43 C42 1.362(12) . ?

C42 C41 1.397(12) . ?

C56 C51 1.386(12) . ?

C56 C55 1.401(13) . ?

C55 C54 1.376(15) . ?

C54 C53 1.378(14) . ?

C53 C52 1.390(12) . ?

C52 C51 1.363(12) . ?

C66 C61 1.382(11) . ?

C66 C65 1.393(11) . ?

C65 C64 1.358(12) . ?

C64 C63 1.383(12) . ?

C63 C62 1.394(11) . ?

C62 C61 1.382(11) . ?



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

Se1 In1 Se4 127.12(3) . . ?

Se1 In1 Se3 126.79(3) . . ?

Se4 In1 Se3 104.55(3) . . ?

Se1 In1 Se5 95.34(3) . . ?

Se4 In1 Se5 91.48(3) . . ?

Se3 In1 Se5 95.09(3) . . ?

Se1 In1 Se2 78.18(3) . . ?

Se4 In1 Se2 94.46(3) . . ?

Se3 In1 Se2 86.92(3) . . ?

Se5 In1 Se2 173.05(3) . . ?

Se6 In2 Se2 129.53(4) . 1_455 ?

Se6 In2 Se5 126.76(3) . . ?

Se2 In2 Se5 102.55(3) 1_455 . ?

Se6 In2 Se3 95.39(3) . 1_455 ?

Se2 In2 Se3 89.55(3) 1_455 1_455 ?

Se5 In2 Se3 95.18(3) . 1_455 ?

Se6 In2 Se4 79.62(3) . . ?

Se2 In2 Se4 93.71(3) 1_455 . ?

Se5 In2 Se4 87.81(3) . . ?

Se3 In2 Se4 175.00(3) 1_455 . ?

C11 Se1 In1 104.8(2) . . ?

C21 Se2 In2 104.9(2) . 1_655 ?

C21 Se2 In1 112.4(2) . . ?

In2 Se2 In1 90.61(3) 1_655 . ?

C31 Se3 In1 104.2(2) . . ?

C31 Se3 In2 110.7(2) . 1_655 ?

In1 Se3 In2 92.80(3) . 1_655 ?

C41 Se4 In1 104.0(2) . . ?

C41 Se4 In2 111.9(2) . . ?

In1 Se4 In2 88.88(3) . . ?

C51 Se5 In2 104.0(2) . . ?

C51 Se5 In1 110.3(2) . . ?

In2 Se5 In1 91.82(3) . . ?

C61 Se6 In2 101.1(2) . . ?

C11 C16 C15 121.5(10) . . ?

C14 C15 C16 119.6(11) . . ?

C15 C14 C13 120.9(10) . . ?

C14 C13 C12 119.3(11) . . ?

C11 C12 C13 119.7(10) . . ?

C16 C11 C12 119.0(8) . . ?

C16 C11 Se1 120.3(6) . . ?

C12 C11 Se1 120.5(7) . . ?

C21 C26 C25 118.6(11) . . ?

C24 C25 C26 123.5(13) . . ?

C25 C24 C23 119.2(11) . . ?

C24 C23 C22 119.1(11) . . ?

C23 C22 C21 120.8(10) . . ?

C26 C21 C22 118.7(9) . . ?

C26 C21 Se2 125.1(7) . . ?

C22 C21 Se2 116.2(7) . . ?

C31 C36 C35 119.5(11) . . ?

C34 C35 C36 119.6(11) . . ?

C33 C34 C35 120.7(11) . . ?

C34 C33 C32 121.6(11) . . ?

C31 C32 C33 117.5(10) . . ?

C36 C31 C32 121.1(8) . . ?

C36 C31 Se3 115.5(7) . . ?

C32 C31 Se3 123.4(6) . . ?

C41 C46 C45 119.7(10) . . ?

C44 C45 C46 120.4(10) . . ?

C45 C44 C43 119.2(9) . . ?

C42 C43 C44 121.6(9) . . ?

C43 C42 C41 119.5(8) . . ?

C46 C41 C42 119.6(8) . . ?

C46 C41 Se4 118.0(7) . . ?

C42 C41 Se4 122.5(6) . . ?

C51 C56 C55 120.2(9) . . ?

C54 C55 C56 119.2(9) . . ?

C55 C54 C53 120.3(9) . . ?

C54 C53 C52 120.1(10) . . ?

C51 C52 C53 120.4(9) . . ?

C52 C51 C56 119.8(8) . . ?

C52 C51 Se5 124.1(6) . . ?

C56 C51 Se5 116.2(6) . . ?

C61 C66 C65 119.4(8) . . ?

C64 C65 C66 120.5(9) . . ?

C65 C64 C63 120.4(8) . . ?

C64 C63 C62 119.9(8) . . ?

C61 C62 C63 119.4(8) . . ?

C62 C61 C66 120.3(7) . . ?

C62 C61 Se6 118.7(6) . . ?

C66 C61 Se6 121.0(6) . . ?



_diffrn_measured_fraction_theta_max    0.865

_diffrn_reflns_theta_full              28.27

_diffrn_measured_fraction_theta_full   0.865

_refine_diff_density_max    0.883

_refine_diff_density_min   -0.795

_refine_diff_density_rms    0.182