Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2002

data_global

_audit_creation_method            SHELXL-97 

_journal_coden_Cambridge      186

loop_
_publ_author_name
_publ_author_address
'Briand, Glen G.'
; 
Department of Chemistry
The University of Calgary
2500 University Drive NW
Calgary
Alberta
Canada 
T2N 1N4
;
'Chivers, Tristram'
; 
Department of Chemistry
The University of Calgary
2500 University Drive NW
Calgary
Alberta
Canada 
T2N 1N4
;
'Parvez, Masood'
; 
Department of Chemistry
The University of Calgary
2500 University Drive NW
Calgary
Alberta
Canada 
T2N 1N4
;

_publ_contact_author_name     	'Dr Tris Chivers'  
_publ_contact_author_address 
;
Department of Chemistry
University of Calgary
2500 University Drive N.W.
Calgary
T2N 1N4
CANADA
;

_publ_contact_author_phone            ' (403)220-5348 '
_publ_contact_author_fax              ' (403)289-9488 '
_publ_contact_author_email            'CHIVERS@UCALGARY.CA'



_publ_requested_journal               ' JCS Chem. Commun. '

_publ_section_title
;
A new approach to chalcogenides of heavy pnicogens:
synthesis and X-ray structure of {(THF)3Li2[PhAs(Se)(NBut)2]}
;

#------------------------------------------------------------------------------
data_Compound_1

_database_code_CSD	190559

#-----------------------------------------------------------------------------
_computing_data_collection                           'COLLECT (Hooft, 1998)'
_computing_cell_refinement            'HKL DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction             'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_structure_solution                           'SAPI91 (Fan, 1991)'
_computing_structure_refinement                'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material                'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics   	           'TEXSAN (M. S. C., 1994)'
#-----------------------------------------------------------------------------
_chemical_name_systematic      ' ? '
_chemical_name_common          ' ? '
_chemical_melting_point        ' ? '
_chemical_formula_sum          'C26 H47 As Li2 N2 O3'
_chemical_formula_weight          524.46
_chemical_compound_source      'synthesized by authors '

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'
'As'  'As'   0.0499   2.0058
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'Li'  'Li'  -0.0003   0.0001
'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'
'O'  'O'   0.0106   0.0060
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting            Orthorhombic 
_symmetry_space_group_name_H-M    ' Pna21 ' 

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'x+1/2, -y+1/2, z'

_cell_length_a                    18.7419(6)
_cell_length_b                    10.7469(3)
_cell_length_c                    14.6045(5)
_cell_angle_alpha                 90.00
_cell_angle_beta                  90.00
_cell_angle_gamma                 90.00
_cell_volume                      2941.60(16)
_cell_formula_units_Z             4
_cell_measurement_temperature     173(2)
_cell_measurement_reflns_used     3356
_cell_measurement_theta_min       1.0
_cell_measurement_theta_max       27.5


_exptl_crystal_description        'block'
_exptl_crystal_colour             'yellow'
_exptl_crystal_size_max           0.27
_exptl_crystal_size_mid           0.25
_exptl_crystal_size_min           0.20
_exptl_crystal_density_meas       'not measured'
_exptl_crystal_density_diffrn     1.184
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              1120
_exptl_absorpt_coefficient_mu     1.182
_exptl_absorpt_correction_type    'multi-scan'
_exptl_absorpt_correction_T_min   0.7409
_exptl_absorpt_correction_T_max   0.7980
_exptl_absorpt_process_details    '(SORTAV: Blessing, 1997)'


_diffrn_ambient_temperature       173(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   'Nonius KappaCCD Diffractometer'
_diffrn_measurement_method        ' \w & \f ' 
_diffrn_standards_decay_%         ' < 0.1 '
_diffrn_reflns_number             6230
_diffrn_reflns_av_R_equivalents   0.0353
_diffrn_reflns_av_sigmaI/netI     0.0485
_diffrn_reflns_limit_h_min        -24
_diffrn_reflns_limit_h_max        24
_diffrn_reflns_limit_k_min        -13
_diffrn_reflns_limit_k_max        13
_diffrn_reflns_limit_l_min        -18
_diffrn_reflns_limit_l_max        18
_diffrn_reflns_theta_min          2.18
_diffrn_reflns_theta_max          27.52
_reflns_number_total              3472
_reflns_number_gt                 2812
_reflns_threshold_expression      >2sigma(I)

_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^)+(0.0427P)^2^+1.6593P] 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     'constr'
_refine_ls_extinction_method      none
_refine_ls_abs_structure_details
'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack    0.090(15)
_refine_ls_number_reflns          3472
_refine_ls_number_parameters      313
_refine_ls_number_restraints      1
_refine_ls_R_factor_all           0.0580
_refine_ls_R_factor_gt            0.0409
_refine_ls_wR_factor_ref          0.1035
_refine_ls_wR_factor_gt           0.0929
_refine_ls_goodness_of_fit_ref    1.067
_refine_ls_restrained_S_all       1.067
_refine_ls_shift/su_max           0.002
_refine_ls_shift/su_mean          0.000
_refine_diff_density_max          0.335
_refine_diff_density_min         -0.458
_refine_diff_density_rms          0.060
_diffrn_measured_fraction_theta_max    0.989
_diffrn_reflns_theta_full              27.52
_diffrn_measured_fraction_theta_full   0.989

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
As1 As 0.907341(19) 0.23476(3) 0.53962(5) 0.03436(13) Uani 1 1 d . . .
N1 N 0.83852(18) 0.1494(4) 0.4748(3) 0.0342(8) Uani 1 1 d . . .
C1 C 0.8508(3) 0.1210(4) 0.3775(3) 0.0408(11) Uani 1 1 d . . .
C2 C 0.8480(4) 0.2359(6) 0.3167(5) 0.067(2) Uani 1 1 d . . .
H2A H 0.8064 0.2864 0.3333 0.100 Uiso 1 1 calc R . .
H2B H 0.8442 0.2104 0.2525 0.100 Uiso 1 1 calc R . .
H2C H 0.8915 0.2850 0.3253 0.100 Uiso 1 1 calc R . .
C3 C 0.7892(4) 0.0383(8) 0.3468(5) 0.089(3) Uani 1 1 d . . .
H3A H 0.7875 -0.0364 0.3853 0.134 Uiso 1 1 calc R . .
H3B H 0.7963 0.0140 0.2828 0.134 Uiso 1 1 calc R . .
H3C H 0.7442 0.0840 0.3527 0.134 Uiso 1 1 calc R . .
C4 C 0.9197(4) 0.0521(8) 0.3607(5) 0.078(2) Uani 1 1 d . . .
H4A H 0.9601 0.1061 0.3763 0.117 Uiso 1 1 calc R . .
H4B H 0.9227 0.0285 0.2960 0.117 Uiso 1 1 calc R . .
H4C H 0.9211 -0.0228 0.3989 0.117 Uiso 1 1 calc R . .
N2 N 0.84706(19) 0.2161(4) 0.6389(3) 0.0336(8) Uani 1 1 d . . .
C5 C 0.8733(3) 0.2504(4) 0.7305(4) 0.0363(10) Uani 1 1 d . . .
C6 C 0.8139(3) 0.2174(5) 0.7991(4) 0.0485(13) Uani 1 1 d . . .
H6A H 0.7711 0.2662 0.7852 0.073 Uiso 1 1 calc R . .
H6B H 0.8300 0.2363 0.8614 0.073 Uiso 1 1 calc R . .
H6C H 0.8027 0.1285 0.7944 0.073 Uiso 1 1 calc R . .
C7 C 0.9410(3) 0.1770(5) 0.7578(4) 0.0482(13) Uani 1 1 d . . .
H7A H 0.9319 0.0876 0.7514 0.072 Uiso 1 1 calc R . .
H7B H 0.9533 0.1959 0.8215 0.072 Uiso 1 1 calc R . .
H7C H 0.9806 0.2011 0.7177 0.072 Uiso 1 1 calc R . .
C8 C 0.8894(3) 0.3902(5) 0.7394(4) 0.0482(12) Uani 1 1 d . . .
H8A H 0.9281 0.4127 0.6973 0.072 Uiso 1 1 calc R . .
H8B H 0.9039 0.4088 0.8024 0.072 Uiso 1 1 calc R . .
H8C H 0.8466 0.4382 0.7241 0.072 Uiso 1 1 calc R . .
C9 C 0.8931(3) 0.4128(5) 0.4982(3) 0.0401(11) Uani 1 1 d . . .
C10 C 0.9463(3) 0.4674(5) 0.4452(4) 0.0553(14) Uani 1 1 d . . .
H10 H 0.9899 0.4240 0.4357 0.066 Uiso 1 1 calc R . .
C11 C 0.9371(4) 0.5834(6) 0.4062(5) 0.0689(18) Uani 1 1 d . . .
H11 H 0.9745 0.6191 0.3710 0.083 Uiso 1 1 calc R . .
C12 C 0.8743(4) 0.6476(6) 0.4180(5) 0.0706(19) Uani 1 1 d . . .
H12 H 0.8674 0.7262 0.3894 0.085 Uiso 1 1 calc R . .
C13 C 0.8208(3) 0.5957(5) 0.4724(5) 0.0616(16) Uani 1 1 d . . .
H13 H 0.7776 0.6399 0.4824 0.074 Uiso 1 1 calc R . .
C14 C 0.8307(3) 0.4802(5) 0.5115(4) 0.0507(14) Uani 1 1 d . . .
H14 H 0.7939 0.4459 0.5485 0.061 Uiso 1 1 calc R . .
O1 O 0.67171(15) 0.3049(3) 0.5489(3) 0.0479(8) Uani 1 1 d . . .
C15 C 0.6389(4) 0.3444(10) 0.4652(5) 0.081(3) Uani 1 1 d . . .
H15A H 0.6018 0.2844 0.4455 0.098 Uiso 1 1 calc R . .
H15B H 0.6747 0.3527 0.4158 0.098 Uiso 1 1 calc R . .
C16 C 0.6064(5) 0.4680(9) 0.4876(7) 0.096(3) Uani 1 1 d . . .
H16A H 0.6230 0.5316 0.4435 0.116 Uiso 1 1 calc R . .
H16B H 0.5537 0.4627 0.4836 0.116 Uiso 1 1 calc R . .
C17 C 0.6278(4) 0.5030(7) 0.5809(6) 0.078(2) Uani 1 1 d . . .
H17A H 0.5888 0.5459 0.6140 0.093 Uiso 1 1 calc R . .
H17B H 0.6709 0.5562 0.5809 0.093 Uiso 1 1 calc R . .
C18 C 0.6425(4) 0.3777(8) 0.6201(5) 0.074(2) Uani 1 1 d . . .
H18A H 0.6767 0.3843 0.6715 0.089 Uiso 1 1 calc R . .
H18B H 0.5979 0.3396 0.6431 0.089 Uiso 1 1 calc R . .
O2 O 0.71709(17) 0.0253(4) 0.6016(3) 0.0540(10) Uani 1 1 d . . .
C19 C 0.6784(3) -0.0469(7) 0.5355(7) 0.089(2) Uani 1 1 d . . .
H19A H 0.6690 0.0041 0.4804 0.106 Uiso 1 1 calc R . .
H19B H 0.7071 -0.1199 0.5170 0.106 Uiso 1 1 calc R . .
C20 C 0.6133(3) -0.0870(8) 0.5737(5) 0.079(2) Uani 1 1 d . . .
H20A H 0.6180 -0.1714 0.6002 0.095 Uiso 1 1 calc R . .
H20B H 0.5750 -0.0878 0.5271 0.095 Uiso 1 1 calc R . .
C21 C 0.5980(3) 0.0084(7) 0.6477(5) 0.0616(16) Uani 1 1 d . . .
H21A H 0.5724 0.0814 0.6225 0.074 Uiso 1 1 calc R . .
H21B H 0.5696 -0.0281 0.6981 0.074 Uiso 1 1 calc R . .
C22 C 0.6713(3) 0.0429(5) 0.6793(4) 0.0479(12) Uani 1 1 d . . .
H22A H 0.6725 0.1307 0.6998 0.058 Uiso 1 1 calc R . .
H22B H 0.6864 -0.0110 0.7307 0.058 Uiso 1 1 calc R . .
O3 O 0.86204(18) -0.1212(3) 0.6166(3) 0.0500(9) Uani 1 1 d . . .
C23 C 0.9370(3) -0.1460(5) 0.6026(4) 0.0550(14) Uani 1 1 d . . .
H23A H 0.9662 -0.0744 0.6230 0.066 Uiso 1 1 calc R . .
H23B H 0.9469 -0.1619 0.5370 0.066 Uiso 1 1 calc R . .
C24 C 0.9535(4) -0.2601(7) 0.6593(6) 0.082(2) Uani 1 1 d . . .
H24A H 0.9486 -0.3369 0.6224 0.098 Uiso 1 1 calc R . .
H24B H 1.0026 -0.2561 0.6844 0.098 Uiso 1 1 calc R . .
C25 C 0.9006(4) -0.2562(7) 0.7325(7) 0.091(3) Uani 1 1 d . . .
H25A H 0.9173 -0.2034 0.7837 0.109 Uiso 1 1 calc R . .
H25B H 0.8906 -0.3408 0.7560 0.109 Uiso 1 1 calc R . .
C26 C 0.8363(3) -0.2017(7) 0.6885(5) 0.0684(18) Uani 1 1 d . . .
H26A H 0.8057 -0.2682 0.6628 0.082 Uiso 1 1 calc R . .
H26B H 0.8081 -0.1537 0.7337 0.082 Uiso 1 1 calc R . .
Li1 Li 0.7630(4) 0.2225(7) 0.5521(8) 0.046(2) Uani 1 1 d . . .
Li2 Li 0.8247(4) 0.0411(7) 0.5870(6) 0.0419(18) 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
As1 0.02825(19) 0.0357(2) 0.0392(2) 0.0008(4) 0.0036(3) 0.00073(15)
N1 0.032(2) 0.034(2) 0.037(2) 0.0003(17) 0.0036(16) -0.0016(16)
C1 0.045(3) 0.040(2) 0.038(3) -0.002(2) 0.005(2) 0.002(2)
C2 0.107(7) 0.058(4) 0.035(4) 0.005(3) -0.002(3) 0.003(4)
C3 0.102(5) 0.111(6) 0.055(4) -0.042(4) 0.023(4) -0.046(5)
C4 0.089(5) 0.099(5) 0.045(3) -0.005(4) 0.011(3) 0.040(4)
N2 0.030(2) 0.0364(19) 0.035(2) 0.0005(18) -0.0002(15) -0.0013(16)
C5 0.035(3) 0.038(2) 0.036(3) -0.001(2) -0.001(2) -0.0010(19)
C6 0.055(3) 0.058(3) 0.033(3) 0.002(2) 0.003(2) -0.007(3)
C7 0.044(3) 0.053(3) 0.047(3) -0.001(3) -0.013(2) 0.008(2)
C8 0.059(3) 0.039(3) 0.047(3) -0.006(2) -0.003(2) -0.003(2)
C9 0.046(3) 0.034(2) 0.040(2) 0.003(2) -0.004(2) -0.009(2)
C10 0.062(3) 0.047(3) 0.057(3) 0.001(3) 0.005(3) -0.021(3)
C11 0.086(5) 0.059(4) 0.062(4) 0.013(3) 0.003(4) -0.029(3)
C12 0.105(5) 0.046(3) 0.061(4) 0.019(3) -0.029(4) -0.019(4)
C13 0.064(4) 0.047(3) 0.074(4) 0.007(3) -0.023(3) 0.001(3)
C14 0.052(3) 0.034(2) 0.066(4) 0.005(2) -0.004(2) -0.002(2)
O1 0.0398(15) 0.0612(18) 0.043(2) -0.007(2) -0.003(2) 0.0127(13)
C15 0.059(4) 0.131(8) 0.054(4) -0.014(5) -0.019(3) 0.024(4)
C16 0.107(6) 0.080(6) 0.102(7) 0.028(5) -0.045(5) 0.008(5)
C17 0.077(5) 0.064(4) 0.092(5) -0.005(4) 0.003(4) 0.029(4)
C18 0.074(5) 0.096(5) 0.052(4) -0.001(4) 0.012(4) 0.037(4)
O2 0.0377(18) 0.068(2) 0.056(2) -0.0172(19) 0.0083(17) -0.0118(17)
C19 0.068(4) 0.109(5) 0.089(5) -0.036(6) 0.016(5) -0.037(4)
C20 0.043(3) 0.114(6) 0.080(5) -0.023(4) -0.005(3) -0.013(3)
C21 0.035(3) 0.078(4) 0.071(4) -0.002(3) 0.010(3) -0.007(3)
C22 0.047(3) 0.052(3) 0.045(3) 0.003(3) 0.007(2) -0.006(2)
O3 0.0429(18) 0.0428(18) 0.064(2) 0.0140(18) 0.0118(19) 0.0066(15)
C23 0.045(3) 0.060(3) 0.060(3) -0.001(3) 0.010(3) 0.004(2)
C24 0.072(5) 0.094(5) 0.081(5) 0.008(4) 0.002(4) 0.034(4)
C25 0.112(7) 0.077(5) 0.085(6) 0.033(4) 0.026(5) 0.030(4)
C26 0.064(4) 0.063(3) 0.079(5) 0.025(4) 0.019(3) 0.002(3)
Li1 0.035(3) 0.057(4) 0.045(6) -0.007(5) -0.010(5) 0.020(3)
Li2 0.048(4) 0.038(4) 0.040(4) 0.003(4) 0.006(4) 0.002(3)

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
As1 N1 1.845(4) . ?
As1 N2 1.850(4) . ?
As1 C9 2.024(5) . ?
As1 Li2 2.684(8) . ?
As1 Li1 2.715(7) . ?
N1 C1 1.471(6) . ?
N1 Li1 1.975(10) . ?
N1 Li2 2.026(9) . ?
C1 C4 1.509(7) . ?
C1 C2 1.522(8) . ?
C1 C3 1.524(8) . ?
N2 C5 1.472(7) . ?
N2 Li1 2.024(10) . ?
N2 Li2 2.070(9) . ?
C5 C8 1.538(7) . ?
C5 C6 1.539(7) . ?
C5 C7 1.546(7) . ?
C9 C10 1.392(7) . ?
C9 C14 1.390(7) . ?
C10 C11 1.382(9) . ?
C11 C12 1.376(10) . ?
C12 C13 1.396(9) . ?
C13 C14 1.379(8) . ?
O1 C18 1.412(8) . ?
O1 C15 1.434(8) . ?
O1 Li1 1.927(7) . ?
C15 C16 1.498(13) . ?
C16 C17 1.469(11) . ?
C17 C18 1.489(11) . ?
O2 C19 1.435(8) . ?
O2 C22 1.435(6) . ?
O2 Li2 2.036(9) . ?
O2 Li1 2.399(10) . ?
C19 C20 1.408(9) . ?
C20 C21 1.517(9) . ?
C21 C22 1.495(7) . ?
O3 C26 1.445(7) . ?
O3 C23 1.444(6) . ?
O3 Li2 1.928(8) . ?
C23 C24 1.512(9) . ?
C24 C25 1.458(10) . ?
C25 C26 1.486(10) . ?
Li1 Li2 2.323(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
N1 As1 N2 85.51(18) . . ?
N1 As1 C9 102.99(19) . . ?
N2 As1 C9 104.85(19) . . ?
N1 As1 Li2 49.0(2) . . ?
N2 As1 Li2 50.3(2) . . ?
C9 As1 Li2 137.2(2) . . ?
N1 As1 Li1 46.7(3) . . ?
N2 As1 Li1 48.2(3) . . ?
C9 As1 Li1 86.3(2) . . ?
Li2 As1 Li1 51.0(2) . . ?
C1 N1 As1 119.4(3) . . ?
C1 N1 Li1 138.3(4) . . ?
As1 N1 Li1 90.6(3) . . ?
C1 N1 Li2 133.0(4) . . ?
As1 N1 Li2 87.7(3) . . ?
Li1 N1 Li2 71.0(4) . . ?
N1 C1 C4 113.1(4) . . ?
N1 C1 C2 112.9(4) . . ?
C4 C1 C2 109.4(5) . . ?
N1 C1 C3 106.7(4) . . ?
C4 C1 C3 108.4(6) . . ?
C2 C1 C3 106.0(6) . . ?
C5 N2 As1 118.8(3) . . ?
C5 N2 Li1 145.2(4) . . ?
As1 N2 Li1 88.9(3) . . ?
C5 N2 Li2 128.9(4) . . ?
As1 N2 Li2 86.2(3) . . ?
Li1 N2 Li2 69.1(3) . . ?
N2 C5 C8 112.8(4) . . ?
N2 C5 C6 107.0(4) . . ?
C8 C5 C6 108.2(4) . . ?
N2 C5 C7 112.4(4) . . ?
C8 C5 C7 108.4(4) . . ?
C6 C5 C7 108.0(5) . . ?
C10 C9 C14 117.4(5) . . ?
C10 C9 As1 118.0(4) . . ?
C14 C9 As1 124.2(4) . . ?
C11 C10 C9 121.3(6) . . ?
C12 C11 C10 120.6(6) . . ?
C11 C12 C13 119.0(6) . . ?
C14 C13 C12 119.9(6) . . ?
C13 C14 C9 121.7(6) . . ?
C18 O1 C15 107.3(4) . . ?
C18 O1 Li1 125.5(5) . . ?
C15 O1 Li1 122.6(5) . . ?
O1 C15 C16 104.5(6) . . ?
C17 C16 C15 108.6(7) . . ?
C16 C17 C18 100.1(7) . . ?
O1 C18 C17 106.9(6) . . ?
C19 O2 C22 107.5(4) . . ?
C19 O2 Li2 118.4(4) . . ?
C22 O2 Li2 131.6(4) . . ?
C19 O2 Li1 117.2(5) . . ?
C22 O2 Li1 109.6(4) . . ?
Li2 O2 Li1 62.6(3) . . ?
C20 C19 O2 109.7(7) . . ?
C19 C20 C21 103.9(6) . . ?
C22 C21 C20 102.3(4) . . ?
O2 C22 C21 105.8(5) . . ?
C26 O3 C23 108.5(4) . . ?
C26 O3 Li2 125.7(4) . . ?
C23 O3 Li2 119.2(4) . . ?
O3 C23 C24 105.8(5) . . ?
C25 C24 C23 103.8(5) . . ?
C24 C25 C26 104.3(7) . . ?
O3 C26 C25 106.2(5) . . ?
O1 Li1 N1 143.7(7) . . ?
O1 Li1 N2 136.2(6) . . ?
N1 Li1 N2 77.7(3) . . ?
O1 Li1 Li2 146.4(5) . . ?
N1 Li1 Li2 55.6(3) . . ?
N2 Li1 Li2 56.4(3) . . ?
O1 Li1 O2 95.5(3) . . ?
N1 Li1 O2 94.5(3) . . ?
N2 Li1 O2 93.5(4) . . ?
Li2 Li1 O2 51.1(3) . . ?
O1 Li1 As1 149.4(4) . . ?
N1 Li1 As1 42.79(18) . . ?
N2 Li1 As1 42.93(17) . . ?
Li2 Li1 As1 63.8(3) . . ?
O2 Li1 As1 114.9(3) . . ?
O3 Li2 N1 130.9(5) . . ?
O3 Li2 O2 105.1(4) . . ?
N1 Li2 O2 105.0(4) . . ?
O3 Li2 N2 131.8(5) . . ?
N1 Li2 N2 75.5(3) . . ?
O2 Li2 N2 103.8(4) . . ?
O3 Li2 Li1 171.3(5) . . ?
N1 Li2 Li1 53.5(4) . . ?
O2 Li2 Li1 66.4(3) . . ?
N2 Li2 Li1 54.5(3) . . ?
O3 Li2 As1 123.4(4) . . ?
N1 Li2 As1 43.36(18) . . ?
O2 Li2 As1 131.6(4) . . ?
N2 Li2 As1 43.44(18) . . ?
Li1 Li2 As1 65.2(3) . . ?

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
N2 As1 N1 C1 -178.1(3) . . . . ?
C9 As1 N1 C1 77.7(4) . . . . ?
Li2 As1 N1 C1 -139.4(5) . . . . ?
Li1 As1 N1 C1 149.6(5) . . . . ?
N2 As1 N1 Li1 32.3(3) . . . . ?
C9 As1 N1 Li1 -72.0(3) . . . . ?
Li2 As1 N1 Li1 70.9(4) . . . . ?
N2 As1 N1 Li2 -38.7(3) . . . . ?
C9 As1 N1 Li2 -142.9(3) . . . . ?
Li1 As1 N1 Li2 -70.9(4) . . . . ?
As1 N1 C1 C4 54.6(6) . . . . ?
Li1 N1 C1 C4 -174.9(6) . . . . ?
Li2 N1 C1 C4 -62.7(7) . . . . ?
As1 N1 C1 C2 -70.3(5) . . . . ?
Li1 N1 C1 C2 60.2(8) . . . . ?
Li2 N1 C1 C2 172.3(5) . . . . ?
As1 N1 C1 C3 173.7(4) . . . . ?
Li1 N1 C1 C3 -55.9(8) . . . . ?
Li2 N1 C1 C3 56.3(7) . . . . ?
N1 As1 N2 C5 170.8(3) . . . . ?
C9 As1 N2 C5 -87.0(4) . . . . ?
Li2 As1 N2 C5 133.0(4) . . . . ?
Li1 As1 N2 C5 -157.8(5) . . . . ?
N1 As1 N2 Li1 -31.4(3) . . . . ?
C9 As1 N2 Li1 70.9(3) . . . . ?
Li2 As1 N2 Li1 -69.2(3) . . . . ?
N1 As1 N2 Li2 37.8(3) . . . . ?
C9 As1 N2 Li2 140.0(3) . . . . ?
Li1 As1 N2 Li2 69.2(3) . . . . ?
As1 N2 C5 C8 64.6(5) . . . . ?
Li1 N2 C5 C8 -74.1(8) . . . . ?
Li2 N2 C5 C8 175.0(4) . . . . ?
As1 N2 C5 C6 -176.5(3) . . . . ?
Li1 N2 C5 C6 44.8(8) . . . . ?
Li2 N2 C5 C6 -66.2(6) . . . . ?
As1 N2 C5 C7 -58.2(5) . . . . ?
Li1 N2 C5 C7 163.1(6) . . . . ?
Li2 N2 C5 C7 52.1(6) . . . . ?
N1 As1 C9 C10 -111.8(4) . . . . ?
N2 As1 C9 C10 159.5(4) . . . . ?
Li2 As1 C9 C10 -153.8(4) . . . . ?
Li1 As1 C9 C10 -155.7(5) . . . . ?
N1 As1 C9 C14 61.5(5) . . . . ?
N2 As1 C9 C14 -27.2(5) . . . . ?
Li2 As1 C9 C14 19.5(6) . . . . ?
Li1 As1 C9 C14 17.7(5) . . . . ?
C14 C9 C10 C11 -0.9(8) . . . . ?
As1 C9 C10 C11 172.9(5) . . . . ?
C9 C10 C11 C12 -0.8(10) . . . . ?
C10 C11 C12 C13 2.1(10) . . . . ?
C11 C12 C13 C14 -1.6(10) . . . . ?
C12 C13 C14 C9 -0.1(9) . . . . ?
C10 C9 C14 C13 1.3(8) . . . . ?
As1 C9 C14 C13 -172.0(5) . . . . ?
C18 O1 C15 C16 16.7(8) . . . . ?
Li1 O1 C15 C16 -140.4(6) . . . . ?
O1 C15 C16 C17 6.0(10) . . . . ?
C15 C16 C17 C18 -24.4(10) . . . . ?
C15 O1 C18 C17 -33.4(7) . . . . ?
Li1 O1 C18 C17 122.8(6) . . . . ?
C16 C17 C18 O1 35.1(9) . . . . ?
C22 O2 C19 C20 -6.8(8) . . . . ?
Li2 O2 C19 C20 157.4(6) . . . . ?
Li1 O2 C19 C20 -130.7(6) . . . . ?
O2 C19 C20 C21 24.9(9) . . . . ?
C19 C20 C21 C22 -32.5(8) . . . . ?
C19 O2 C22 C21 -14.7(7) . . . . ?
Li2 O2 C22 C21 -176.1(5) . . . . ?
Li1 O2 C22 C21 113.7(5) . . . . ?
C20 C21 C22 O2 28.8(6) . . . . ?
C26 O3 C23 C24 8.6(7) . . . . ?
Li2 O3 C23 C24 161.8(5) . . . . ?
O3 C23 C24 C25 -26.6(8) . . . . ?
C23 C24 C25 C26 33.9(8) . . . . ?
C23 O3 C26 C25 12.5(8) . . . . ?
Li2 O3 C26 C25 -138.5(6) . . . . ?
C24 C25 C26 O3 -29.3(8) . . . . ?
C18 O1 Li1 N1 -159.6(8) . . . . ?
C15 O1 Li1 N1 -6.7(11) . . . . ?
C18 O1 Li1 N2 -5.5(10) . . . . ?
C15 O1 Li1 N2 147.3(8) . . . . ?
C18 O1 Li1 Li2 91.7(12) . . . . ?
C15 O1 Li1 Li2 -115.5(12) . . . . ?
C18 O1 Li1 O2 95.3(6) . . . . ?
C15 O1 Li1 O2 -111.9(7) . . . . ?
C18 O1 Li1 As1 -77.3(14) . . . . ?
C15 O1 Li1 As1 75.5(13) . . . . ?
C1 N1 Li1 O1 -6.4(12) . . . . ?
As1 N1 Li1 O1 132.1(8) . . . . ?
Li2 N1 Li1 O1 -140.6(9) . . . . ?
C1 N1 Li1 N2 -168.3(5) . . . . ?
As1 N1 Li1 N2 -29.9(3) . . . . ?
Li2 N1 Li1 N2 57.5(3) . . . . ?
C1 N1 Li1 Li2 134.2(6) . . . . ?
As1 N1 Li1 Li2 -87.3(3) . . . . ?
C1 N1 Li1 O2 99.1(6) . . . . ?
As1 N1 Li1 O2 -122.4(3) . . . . ?
Li2 N1 Li1 O2 -35.1(4) . . . . ?
C1 N1 Li1 As1 -138.5(6) . . . . ?
Li2 N1 Li1 As1 87.3(3) . . . . ?
C5 N2 Li1 O1 9.8(12) . . . . ?
As1 N2 Li1 O1 -134.8(7) . . . . ?
Li2 N2 Li1 O1 138.8(8) . . . . ?
C5 N2 Li1 N1 174.4(6) . . . . ?
As1 N2 Li1 N1 29.8(3) . . . . ?
Li2 N2 Li1 N1 -56.6(3) . . . . ?
C5 N2 Li1 Li2 -129.0(7) . . . . ?
As1 N2 Li1 Li2 86.4(3) . . . . ?
C5 N2 Li1 O2 -91.8(7) . . . . ?
As1 N2 Li1 O2 123.6(3) . . . . ?
Li2 N2 Li1 O2 37.2(3) . . . . ?
C5 N2 Li1 As1 144.6(7) . . . . ?
Li2 N2 Li1 As1 -86.4(3) . . . . ?
C19 O2 Li1 O1 72.9(6) . . . . ?
C22 O2 Li1 O1 -49.9(6) . . . . ?
Li2 O2 Li1 O1 -177.4(6) . . . . ?
C19 O2 Li1 N1 -72.1(5) . . . . ?
C22 O2 Li1 N1 165.1(4) . . . . ?
Li2 O2 Li1 N1 37.6(4) . . . . ?
C19 O2 Li1 N2 -150.0(5) . . . . ?
C22 O2 Li1 N2 87.2(4) . . . . ?
Li2 O2 Li1 N2 -40.3(4) . . . . ?
C19 O2 Li1 Li2 -109.6(5) . . . . ?
C22 O2 Li1 Li2 127.6(4) . . . . ?
C19 O2 Li1 As1 -111.3(5) . . . . ?
C22 O2 Li1 As1 126.0(4) . . . . ?
Li2 O2 Li1 As1 -1.6(4) . . . . ?
N1 As1 Li1 O1 -120.2(13) . . . . ?
N2 As1 Li1 O1 105.4(13) . . . . ?
C9 As1 Li1 O1 -8.4(12) . . . . ?
Li2 As1 Li1 O1 173.2(14) . . . . ?
N2 As1 Li1 N1 -134.4(4) . . . . ?
C9 As1 Li1 N1 111.8(3) . . . . ?
Li2 As1 Li1 N1 -66.6(3) . . . . ?
N1 As1 Li1 N2 134.4(4) . . . . ?
C9 As1 Li1 N2 -113.8(3) . . . . ?
Li2 As1 Li1 N2 67.8(4) . . . . ?
N1 As1 Li1 Li2 66.6(3) . . . . ?
N2 As1 Li1 Li2 -67.8(4) . . . . ?
C9 As1 Li1 Li2 178.4(4) . . . . ?
N1 As1 Li1 O2 68.0(4) . . . . ?
N2 As1 Li1 O2 -66.4(5) . . . . ?
C9 As1 Li1 O2 179.8(5) . . . . ?
Li2 As1 Li1 O2 1.4(4) . . . . ?
C26 O3 Li2 N1 -165.0(6) . . . . ?
C23 O3 Li2 N1 46.8(8) . . . . ?
C26 O3 Li2 O2 -39.0(7) . . . . ?
C23 O3 Li2 O2 172.8(4) . . . . ?
C26 O3 Li2 N2 85.8(7) . . . . ?
C23 O3 Li2 N2 -62.4(7) . . . . ?
C26 O3 Li2 Li1 -48(4) . . . . ?
C23 O3 Li2 Li1 164(4) . . . . ?
C26 O3 Li2 As1 140.6(5) . . . . ?
C23 O3 Li2 As1 -7.7(7) . . . . ?
C1 N1 Li2 O3 31.0(9) . . . . ?
As1 N1 Li2 O3 -98.2(6) . . . . ?
Li1 N1 Li2 O3 170.4(7) . . . . ?
C1 N1 Li2 O2 -95.0(5) . . . . ?
As1 N1 Li2 O2 135.8(3) . . . . ?
Li1 N1 Li2 O2 44.4(4) . . . . ?
C1 N1 Li2 N2 164.3(4) . . . . ?
As1 N1 Li2 N2 35.1(2) . . . . ?
Li1 N1 Li2 N2 -56.3(3) . . . . ?
C1 N1 Li2 Li1 -139.4(5) . . . . ?
As1 N1 Li2 Li1 91.4(3) . . . . ?
C1 N1 Li2 As1 129.2(5) . . . . ?
Li1 N1 Li2 As1 -91.4(3) . . . . ?
C19 O2 Li2 O3 -70.8(7) . . . . ?
C22 O2 Li2 O3 88.9(6) . . . . ?
Li1 O2 Li2 O3 -178.5(6) . . . . ?
C19 O2 Li2 N1 69.9(6) . . . . ?
C22 O2 Li2 N1 -130.4(5) . . . . ?
Li1 O2 Li2 N1 -37.8(4) . . . . ?
C19 O2 Li2 N2 148.3(6) . . . . ?
C22 O2 Li2 N2 -52.0(7) . . . . ?
Li1 O2 Li2 N2 40.6(4) . . . . ?
C19 O2 Li2 Li1 107.7(6) . . . . ?
C22 O2 Li2 Li1 -92.6(6) . . . . ?
C19 O2 Li2 As1 109.7(7) . . . . ?
C22 O2 Li2 As1 -90.6(7) . . . . ?
Li1 O2 Li2 As1 2.0(5) . . . . ?
C5 N2 Li2 O3 -27.1(8) . . . . ?
As1 N2 Li2 O3 97.4(6) . . . . ?
Li1 N2 Li2 O3 -172.3(7) . . . . ?
C5 N2 Li2 N1 -159.6(4) . . . . ?
As1 N2 Li2 N1 -35.0(2) . . . . ?
Li1 N2 Li2 N1 55.2(4) . . . . ?
C5 N2 Li2 O2 98.2(5) . . . . ?
As1 N2 Li2 O2 -137.3(4) . . . . ?
Li1 N2 Li2 O2 -47.0(4) . . . . ?
C5 N2 Li2 Li1 145.2(5) . . . . ?
As1 N2 Li2 Li1 -90.2(4) . . . . ?
C5 N2 Li2 As1 -124.6(5) . . . . ?
Li1 N2 Li2 As1 90.2(4) . . . . ?
O1 Li1 Li2 O3 14(5) . . . . ?
N1 Li1 Li2 O3 -123(4) . . . . ?
N2 Li1 Li2 O3 139(4) . . . . ?
O2 Li1 Li2 O3 9(4) . . . . ?
As1 Li1 Li2 O3 -172(4) . . . . ?
O1 Li1 Li2 N1 137.1(13) . . . . ?
N2 Li1 Li2 N1 -98.4(3) . . . . ?
O2 Li1 Li2 N1 132.5(5) . . . . ?
As1 Li1 Li2 N1 -49.1(2) . . . . ?
O1 Li1 Li2 O2 4.6(11) . . . . ?
N1 Li1 Li2 O2 -132.5(5) . . . . ?
N2 Li1 Li2 O2 129.1(5) . . . . ?
As1 Li1 Li2 O2 178.4(4) . . . . ?
O1 Li1 Li2 N2 -124.5(13) . . . . ?
N1 Li1 Li2 N2 98.4(3) . . . . ?
O2 Li1 Li2 N2 -129.1(5) . . . . ?
As1 Li1 Li2 N2 49.2(2) . . . . ?
O1 Li1 Li2 As1 -173.8(13) . . . . ?
N1 Li1 Li2 As1 49.1(2) . . . . ?
N2 Li1 Li2 As1 -49.2(2) . . . . ?
O2 Li1 Li2 As1 -178.4(4) . . . . ?
N1 As1 Li2 O3 116.4(6) . . . . ?
N2 As1 Li2 O3 -117.7(6) . . . . ?
C9 As1 Li2 O3 176.3(3) . . . . ?
Li1 As1 Li2 O3 178.6(7) . . . . ?
N2 As1 Li2 N1 125.9(3) . . . . ?
C9 As1 Li2 N1 59.9(4) . . . . ?
Li1 As1 Li2 N1 62.2(4) . . . . ?
N1 As1 Li2 O2 -64.2(5) . . . . ?
N2 As1 Li2 O2 61.7(5) . . . . ?
C9 As1 Li2 O2 -4.3(8) . . . . ?
Li1 As1 Li2 O2 -2.0(5) . . . . ?
N1 As1 Li2 N2 -125.9(3) . . . . ?
C9 As1 Li2 N2 -66.1(4) . . . . ?
Li1 As1 Li2 N2 -63.7(4) . . . . ?
N1 As1 Li2 Li1 -62.2(4) . . . . ?
N2 As1 Li2 Li1 63.7(4) . . . . ?
C9 As1 Li2 Li1 -2.3(5) . . . . ?

#-----------------------------------------------------------------------------
data_Compound_2

_database_code_CSD	190560

#-----------------------------------------------------------------------------
_computing_data_collection                           'COLLECT (Hooft, 1998)'
_computing_cell_refinement            'HKL DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction             'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_structure_solution                           'SAPI91 (Fan, 1991)'
_computing_structure_refinement                'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material                'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics   	           'TEXSAN (M. S. C., 1994)'
#-----------------------------------------------------------------------------
_chemical_name_systematic      ' ? ' 
_chemical_name_common          ' ? ' 
_chemical_melting_point        ' ? ' 
_chemical_formula_sum          'C26 H47 As Li2 N2 O3 Se' 
_chemical_formula_weight          603.42 
_chemical_compound_source      'synthesized by authors '

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' 
'As'  'As'   0.0499   2.0058 
'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' 
'O'  'O'   0.0106   0.0060 
'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' 
'Li'  'Li'  -0.0003   0.0001 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 

_symmetry_cell_setting            Monoclinic 
_symmetry_space_group_name_H-M    ' P 21/m ' 

loop_ 
_symmetry_equiv_pos_as_xyz 
'x, y, z' 
'-x, y+1/2, -z' 
'-x, -y, -z' 
'x, -y-1/2, z' 


_cell_length_a                    9.8072(4) 
_cell_length_b                    15.1468(6) 
_cell_length_c                    10.8128(5) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  102.933(2) 
_cell_angle_gamma                 90.00 
_cell_volume                      1565.47(11) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     173(2) 
_cell_measurement_reflns_used     9855 
_cell_measurement_theta_min       1.0
_cell_measurement_theta_max       25.7 


_exptl_crystal_description        'block'
_exptl_crystal_colour             'colourless' 
_exptl_crystal_size_max           0.12 
_exptl_crystal_size_mid           0.10 
_exptl_crystal_size_min           0.10 
_exptl_crystal_density_meas       'not measured' 
_exptl_crystal_density_diffrn     1.280 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              628 
_exptl_absorpt_coefficient_mu     2.274 
_exptl_absorpt_correction_type    'multi-scan'
_exptl_absorpt_correction_T_min   0.7720 
_exptl_absorpt_correction_T_max   0.8045 
_exptl_absorpt_process_details    '(SORTAV: Blessing, 1997)'


_diffrn_ambient_temperature       173(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   'Nonius KappaCCD Diffractometer'
_diffrn_measurement_method        ' \w & \f '
_diffrn_standards_decay_%         '< 0.01'
_diffrn_reflns_number             9855 
_diffrn_reflns_av_R_equivalents   0.0680 
_diffrn_reflns_av_sigmaI/netI     0.0656 
_diffrn_reflns_limit_h_min        -11 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -16 
_diffrn_reflns_limit_k_max        18 
_diffrn_reflns_limit_l_min        -13 
_diffrn_reflns_limit_l_max        13 
_diffrn_reflns_theta_min          3.31 
_diffrn_reflns_theta_max          25.68 
_reflns_number_total              3077 
_reflns_number_gt                 2280 
_reflns_threshold_expression      >2sigma(I) 

_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^)+(0.053P)^2^+3.80P] 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     'constr'
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.009(2) 
_refine_ls_extinction_expression 
'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' 
_refine_ls_number_reflns          3077 
_refine_ls_number_parameters      230 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0848 
_refine_ls_R_factor_gt            0.0530 
_refine_ls_wR_factor_ref          0.1401 
_refine_ls_wR_factor_gt           0.1197 
_refine_ls_goodness_of_fit_ref    0.988 
_refine_ls_restrained_S_all       0.988 
_refine_ls_shift/su_max           0.002 
_refine_ls_shift/su_mean          0.000 
_refine_diff_density_max          0.480 
_refine_diff_density_min         -0.661 
_refine_diff_density_rms          0.081 
_diffrn_measured_fraction_theta_max    0.994 
_diffrn_reflns_theta_full              25.68 
_diffrn_measured_fraction_theta_full   0.994 

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 0.48844(7) 0.2500 0.38870(7) 0.0528(3) Uani 1 2 d S . . 
As1 As 0.25905(8) 0.21518(5) 0.31695(7) 0.0287(2) Uani 0.50 1 d P . . 
Li1 Li -0.0191(11) 0.2500 0.2401(11) 0.052(3) Uani 1 2 d S . . 
N1 N 0.1582(5) 0.2500 0.1736(4) 0.0418(12) Uani 1 2 d S . . 
C1 C 0.2084(7) 0.2500 0.0534(6) 0.0545(18) Uani 1 2 d S . . 
C2 C 0.2916(9) 0.1690(5) 0.0401(7) 0.120(3) Uani 1 1 d . A . 
H2A H 0.2364 0.1163 0.0486 0.181 Uiso 1 1 calc R . . 
H2B H 0.3780 0.1688 0.1063 0.181 Uiso 1 1 calc R . . 
H2C H 0.3147 0.1690 -0.0435 0.181 Uiso 1 1 calc R . . 
C3 C 0.0794(11) 0.2500 -0.0520(7) 0.146(6) Uani 1 2 d S A . 
H3A H 0.0238 0.1971 -0.0456 0.219 Uiso 0.50 1 calc PR . . 
H3B H 0.1065 0.2501 -0.1340 0.219 Uiso 1 2 calc SR . . 
H3C H 0.0236 0.3028 -0.0454 0.219 Uiso 0.50 1 calc PR . . 
N2 N 0.1311(5) 0.2500 0.3985(4) 0.0380(11) Uani 1 2 d S . . 
C4 C 0.1467(8) 0.2500 0.5371(6) 0.0503(16) Uani 1 2 d S . . 
C5 C 0.0000(9) 0.2500 0.5604(8) 0.083(3) Uani 1 2 d S A . 
H5A H -0.0492 0.1965 0.5240 0.124 Uiso 0.50 1 calc PR . . 
H5B H -0.0507 0.3021 0.5204 0.124 Uiso 0.50 1 calc PR . . 
H5C H 0.0050 0.2514 0.6519 0.124 Uiso 1 2 calc SR . . 
C6 C 0.2158(10) 0.1668(6) 0.5965(6) 0.130(4) Uani 1 1 d . A . 
H6A H 0.3116 0.1638 0.5840 0.194 Uiso 1 1 calc R . . 
H6B H 0.1627 0.1154 0.5567 0.194 Uiso 1 1 calc R . . 
H6C H 0.2180 0.1670 0.6876 0.194 Uiso 1 1 calc R . . 
O1 O -0.1506(16) 0.1514(9) 0.1934(18) 0.212(8) Uani 0.790(12) 1 d P . 1 
C7 C -0.1842(15) 0.1111(10) 0.0791(13) 0.156(6) Uani 0.790(12) 1 d P . 1 
H7A H -0.1193 0.0618 0.0746 0.188 Uiso 0.790(12) 1 calc PR . 1 
H7B H -0.1815 0.1534 0.0098 0.188 Uiso 0.790(12) 1 calc PR . 1 
C8 C -0.3234(10) 0.0793(7) 0.0710(16) 0.122(5) Uani 0.790(12) 1 d P . 1 
H8A H -0.3474 0.0309 0.0085 0.146 Uiso 0.790(12) 1 calc PR . 1 
H8B H -0.3934 0.1272 0.0490 0.146 Uiso 0.790(12) 1 calc PR . 1 
C9 C -0.3116(10) 0.0454(7) 0.2109(14) 0.119(5) Uani 0.790(12) 1 d P . 1 
H9A H -0.4031 0.0507 0.2345 0.143 Uiso 0.790(12) 1 calc PR . 1 
H9B H -0.2832 -0.0175 0.2177 0.143 Uiso 0.790(12) 1 calc PR . 1 
C10 C -0.2011(10) 0.1021(5) 0.3004(11) 0.077(3) Uani 0.790(12) 1 d P . 1 
H10A H -0.2429 0.1422 0.3540 0.092 Uiso 0.790(12) 1 calc PR . 1 
H10B H -0.1264 0.0661 0.3540 0.092 Uiso 0.790(12) 1 calc PR . 1 
O1' O -0.0947(14) 0.1250(9) 0.2230(12) 0.012(3) Uiso 0.210(12) 1 d P . 2 
C7' C -0.194(2) 0.1687(15) 0.207(2) 0.023(5) Uiso 0.210(12) 1 d P . 2 
H7'1 H -0.1629 0.2310 0.2165 0.028 Uiso 0.210(12) 1 calc PR . 2 
H7'2 H -0.2423 0.1559 0.2759 0.028 Uiso 0.210(12) 1 calc PR . 2 
C8' C -0.296(3) 0.161(2) 0.088(3) 0.068(9) Uiso 0.210(12) 1 d P . 2 
H8'1 H -0.2554 0.1626 0.0118 0.082 Uiso 0.210(12) 1 calc PR . 2 
H8'2 H -0.3753 0.2031 0.0790 0.082 Uiso 0.210(12) 1 calc PR . 2 
C9' C -0.332(5) 0.055(3) 0.135(4) 0.071(11) Uiso 0.210(12) 1 d P . 2 
H9'1 H -0.4318 0.0411 0.1320 0.086 Uiso 0.210(12) 1 calc PR . 2 
H9'2 H -0.2798 0.0059 0.1079 0.086 Uiso 0.210(12) 1 calc PR . 2 
C10' C -0.261(4) 0.105(3) 0.241(3) 0.072(11) Uiso 0.210(12) 1 d P . 2 
H10C H -0.2584 0.0724 0.3203 0.086 Uiso 0.210(12) 1 calc PR . 2 
H10D H -0.3107 0.1618 0.2447 0.086 Uiso 0.210(12) 1 calc PR . 2 
C11 C 0.2535(5) 0.0843(3) 0.3084(5) 0.0363(18) Uani 0.50 1 d PG A 1 
C12 C 0.3741(4) 0.0349(5) 0.3527(7) 0.059(3) Uani 0.50 1 d PG A 1 
H12 H 0.4596 0.0638 0.3894 0.071 Uiso 0.50 1 calc PR A 1 
C13 C 0.3696(9) -0.0566(5) 0.3433(10) 0.093(11) Uani 0.50 1 d PG A 1 
H13 H 0.4520 -0.0903 0.3736 0.112 Uiso 0.50 1 calc PR A 1 
C14 C 0.2445(11) -0.0988(3) 0.2896(12) 0.102(11) Uani 0.50 1 d PG A 1 
H14 H 0.2413 -0.1613 0.2832 0.122 Uiso 0.50 1 calc PR A 1 
C15 C 0.1239(8) -0.0495(4) 0.2453(10) 0.074(10) Uani 0.50 1 d PG A 1 
H15 H 0.0384 -0.0783 0.2087 0.089 Uiso 0.50 1 calc PR A 1 
C16 C 0.1284(4) 0.0421(4) 0.2547(6) 0.055(3) Uani 0.50 1 d PG A 1 
H16 H 0.0460 0.0758 0.2244 0.066 Uiso 0.50 1 calc PR A 1 
Li2 Li 0.1155(7) 0.1341(4) 0.2824(9) 0.046(3) Uani 0.50 1 d PG . 2 
O2 O 0.1832(5) 0.0173(3) 0.3172(5) 0.0549(19) Uani 0.50 1 d PG . 2 
C17 C 0.3263(7) 0.0035(4) 0.3858(6) 0.061(3) Uani 0.50 1 d PG . 2 
H17A H 0.3850 0.0558 0.3797 0.073 Uiso 0.50 1 calc PR A 2 
H17B H 0.3310 -0.0096 0.4764 0.073 Uiso 0.50 1 calc PR A 2 
C18 C 0.3691(19) -0.0707(15) 0.323(3) 0.094(9) Uani 0.50 1 d P . 2 
H18A H 0.4461 -0.1031 0.3797 0.113 Uiso 0.50 1 calc PR . 2 
H18B H 0.4003 -0.0523 0.2458 0.113 Uiso 0.50 1 calc PR . 2 
C19 C 0.2410(14) -0.1256(15) 0.2897(18) 0.075(5) Uani 0.50 1 d P . 2 
H19A H 0.2306 -0.1631 0.3619 0.090 Uiso 0.50 1 calc PR . 2 
H19B H 0.2418 -0.1636 0.2153 0.090 Uiso 0.50 1 calc PR . 2 
C20 C 0.1264(13) -0.0572(10) 0.259(2) 0.076(9) Uani 0.50 1 d P . 2 
H20A H 0.0964 -0.0482 0.1664 0.091 Uiso 0.50 1 calc PR . 2 
H20B H 0.0443 -0.0756 0.2921 0.091 Uiso 0.50 1 calc PR . 2 

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 
Se1 0.0334(4) 0.0502(5) 0.0679(5) 0.000 -0.0032(3) 0.000 
As1 0.0313(4) 0.0260(3) 0.0285(4) 0.0012(3) 0.0061(3) 0.0016(3) 
Li1 0.034(5) 0.067(7) 0.058(7) 0.000 0.013(5) 0.000 
N1 0.031(3) 0.067(3) 0.028(2) 0.000 0.007(2) 0.000 
C1 0.051(4) 0.086(5) 0.028(3) 0.000 0.013(3) 0.000 
C2 0.175(8) 0.130(7) 0.083(5) 0.002(4) 0.086(5) 0.058(6) 
C3 0.091(7) 0.32(2) 0.025(4) 0.000 0.006(4) 0.000 
N2 0.045(3) 0.040(3) 0.029(2) 0.000 0.010(2) 0.000 
C4 0.066(4) 0.057(4) 0.031(3) 0.000 0.017(3) 0.000 
C5 0.096(7) 0.113(7) 0.055(5) 0.000 0.050(5) 0.000 
C6 0.187(8) 0.158(8) 0.057(4) 0.058(4) 0.055(5) 0.102(7) 
O1 0.262(19) 0.157(12) 0.266(17) -0.083(10) 0.164(14) -0.136(12) 
C7 0.175(13) 0.151(11) 0.160(11) -0.095(9) 0.072(9) -0.112(10) 
C8 0.071(6) 0.080(7) 0.207(14) 0.042(8) 0.017(8) -0.018(5) 
C9 0.068(6) 0.079(7) 0.201(14) 0.053(8) 0.006(7) -0.044(5) 
C10 0.073(6) 0.055(5) 0.115(8) 0.003(5) 0.050(6) -0.012(4) 
C11 0.042(5) 0.033(4) 0.035(4) 0.004(3) 0.011(4) 0.006(4) 
C12 0.050(7) 0.048(7) 0.075(8) 0.008(5) 0.004(6) 0.013(5) 
C13 0.082(19) 0.050(14) 0.13(2) 0.030(12) -0.020(14) 0.009(11) 
C14 0.13(2) 0.039(10) 0.137(18) 0.044(9) 0.027(14) -0.012(10) 
C15 0.10(2) 0.048(14) 0.077(13) -0.019(10) 0.016(12) -0.025(11) 
C16 0.042(6) 0.038(5) 0.081(8) -0.005(5) 0.008(5) -0.002(4) 
Li2 0.059(9) 0.021(6) 0.058(9) -0.005(6) 0.012(7) -0.004(6) 
O2 0.043(4) 0.033(4) 0.082(5) -0.007(3) -0.002(4) 0.002(3) 
C17 0.055(7) 0.046(7) 0.071(8) -0.005(6) -0.009(6) 0.004(6) 
C18 0.065(17) 0.046(9) 0.15(2) 0.022(11) -0.009(13) -0.011(9) 
C19 0.053(9) 0.062(9) 0.099(13) 0.035(7) -0.004(7) -0.020(6) 
C20 0.033(10) 0.039(11) 0.15(2) 0.013(12) 0.015(11) -0.003(8) 

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 As1 2.2716(10) . ? 
Se1 As1 2.2716(10) 4_565 ? 
As1 As1 1.0549(14) 4_565 ? 
As1 N1 1.724(4) . ? 
As1 N2 1.768(5) . ? 
As1 Li2 1.842(8) . ? 
As1 C11 1.985(4) . ? 
As1 Li2 2.664(14) 4_565 ? 
As1 Li1 2.720(10) . ? 
Li1 C7' 2.08(2) 4_565 ? 
Li1 O1 1.964(13) . ? 
Li1 O1 1.964(13) 4_565 ? 
Li1 N2 1.993(12) . ? 
Li1 O1' 2.026(15) . ? 
Li1 O1' 2.026(15) 4_565 ? 
Li1 N1 2.025(11) . ? 
Li1 Li2 2.183(12) 4_565 ? 
Li1 Li2 2.183(7) . ? 
Li1 As1 2.720(10) 4_565 ? 
N1 C1 1.489(8) . ? 
N1 As1 1.724(4) 4_565 ? 
N1 Li2 2.205(19) 4_565 ? 
N1 Li2 2.205(9) . ? 
C1 C2 1.498(8) 4_565 ? 
C1 C2 1.498(8) . ? 
C1 C3 1.502(11) . ? 
N2 C4 1.472(7) . ? 
N2 As1 1.768(5) 4_565 ? 
N2 Li2 2.144(7) . ? 
N2 Li2 2.144(17) 4_565 ? 
C4 C6 1.505(7) 4_565 ? 
C4 C6 1.505(7) . ? 
C4 C5 1.515(10) . ? 
O1 C7 1.352(16) . ? 
O1 C10 1.549(17) . ? 
C7 C8 1.432(14) . ? 
C8 C9 1.577(18) . ? 
C9 C10 1.542(14) . ? 
O1' C7' 1.16(3) . ? 
O1' C10' 1.71(4) . ? 
O1' Li2 2.022(14) . ? 
C7' C8' 1.45(4) . ? 
C8' C9' 1.75(5) . ? 
C9' C10' 1.42(6) . ? 
C11 C12 1.3900 . ? 
C11 C16 1.3900 . ? 
C12 C13 1.3900 . ? 
C13 C14 1.3900 . ? 
C14 C15 1.3900 . ? 
C15 C16 1.3900 . ? 
Li2 O2 1.8969 . ? 
Li2 As1 2.664(7) 4_565 ? 
Li2 Li2 3.511(11) 4_565 ? 
O2 C20 1.349(15) . ? 
O2 C17 1.4489 . ? 
C17 C18 1.42(3) . ? 
C18 C19 1.48(2) . ? 
C19 C20 1.51(2) . ? 

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 
As1 Se1 As1 26.85(4) . 4_565 ? 
As1 As1 N1 72.18(5) 4_565 . ? 
As1 As1 N2 72.65(5) 4_565 . ? 
N1 As1 N2 91.6(2) . . ? 
As1 As1 Li2 131.81(13) 4_565 . ? 
N1 As1 Li2 76.3(3) . . ? 
N2 As1 Li2 72.8(3) . . ? 
As1 As1 C11 177.22(16) 4_565 . ? 
N1 As1 C11 105.04(16) . . ? 
N2 As1 C11 107.84(16) . . ? 
Li2 As1 C11 46.61(10) . . ? 
As1 As1 Se1 76.573(18) 4_565 . ? 
N1 As1 Se1 124.13(14) . . ? 
N2 As1 Se1 121.31(14) . . ? 
Li2 As1 Se1 151.33(14) . . ? 
C11 As1 Se1 105.21(13) . . ? 
As1 As1 Li2 31.0(3) 4_565 4_565 ? 
N1 As1 Li2 55.5(6) . 4_565 ? 
N2 As1 Li2 53.3(6) . 4_565 ? 
Li2 As1 Li2 100.8(4) . 4_565 ? 
C11 As1 Li2 147.3(4) . 4_565 ? 
Se1 As1 Li2 107.5(3) . 4_565 ? 
As1 As1 Li1 78.82(5) 4_565 . ? 
N1 As1 Li1 48.1(3) . . ? 
N2 As1 Li1 47.1(3) . . ? 
Li2 As1 Li1 53.04(13) . . ? 
C11 As1 Li1 99.47(14) . . ? 
Se1 As1 Li1 155.28(6) . . ? 
Li2 As1 Li1 47.8(3) 4_565 . ? 
C7' Li1 O1 86.4(8) 4_565 . ? 
C7' Li1 O1 15.2(8) 4_565 4_565 ? 
O1 Li1 O1 99.0(12) . 4_565 ? 
C7' Li1 N2 124.9(7) 4_565 . ? 
O1 Li1 N2 122.5(7) . . ? 
O1 Li1 N2 122.5(7) 4_565 . ? 
C7' Li1 O1' 105.5(7) 4_565 . ? 
O1 Li1 O1' 20.0(6) . . ? 
O1 Li1 O1' 118.8(8) 4_565 . ? 
N2 Li1 O1' 105.3(5) . . ? 
C7' Li1 O1' 32.7(8) 4_565 4_565 ? 
O1 Li1 O1' 118.8(8) . 4_565 ? 
O1 Li1 O1' 20.0(6) 4_565 4_565 ? 
N2 Li1 O1' 105.3(5) . 4_565 ? 
O1' Li1 O1' 138.2(9) . 4_565 ? 
C7' Li1 N1 132.8(8) 4_565 . ? 
O1 Li1 N1 118.4(5) . . ? 
O1 Li1 N1 118.4(5) 4_565 . ? 
N2 Li1 N1 77.1(4) . . ? 
O1' Li1 N1 107.1(5) . . ? 
O1' Li1 N1 107.1(5) 4_565 . ? 
C7' Li1 Li2 89.8(8) 4_565 4_565 ? 
O1 Li1 Li2 175.7(9) . 4_565 ? 
O1 Li1 Li2 76.9(7) 4_565 4_565 ? 
N2 Li1 Li2 61.6(7) . 4_565 ? 
O1' Li1 Li2 164.2(8) . 4_565 ? 
O1' Li1 Li2 57.3(6) 4_565 4_565 ? 
N1 Li1 Li2 63.1(7) . 4_565 ? 
C7' Li1 Li2 162.0(8) 4_565 . ? 
O1 Li1 Li2 76.9(5) . . ? 
O1 Li1 Li2 175.7(8) 4_565 . ? 
N2 Li1 Li2 61.6(3) . . ? 
O1' Li1 Li2 57.3(4) . . ? 
O1' Li1 Li2 164.2(6) 4_565 . ? 
N1 Li1 Li2 63.1(4) . . ? 
Li2 Li1 Li2 107.1(8) 4_565 . ? 
C7' Li1 As1 132.1(6) 4_565 4_565 ? 
O1 Li1 As1 141.4(6) . 4_565 ? 
O1 Li1 As1 119.1(5) 4_565 4_565 ? 
N2 Li1 As1 40.5(2) . 4_565 ? 
O1' Li1 As1 122.0(5) . 4_565 ? 
O1' Li1 As1 99.7(4) 4_565 4_565 ? 
N1 Li1 As1 39.3(2) . 4_565 ? 
Li2 Li1 As1 42.4(5) 4_565 4_565 ? 
Li2 Li1 As1 64.8(3) . 4_565 ? 
C7' Li1 As1 154.3(6) 4_565 . ? 
O1 Li1 As1 119.1(5) . . ? 
O1 Li1 As1 141.4(6) 4_565 . ? 
N2 Li1 As1 40.5(2) . . ? 
O1' Li1 As1 99.7(4) . . ? 
O1' Li1 As1 122.0(5) 4_565 . ? 
N1 Li1 As1 39.3(2) . . ? 
Li2 Li1 As1 64.8(6) 4_565 . ? 
Li2 Li1 As1 42.4(3) . . ? 
As1 Li1 As1 22.36(9) 4_565 . ? 
C1 N1 As1 123.3(4) . 4_565 ? 
C1 N1 As1 123.3(4) . . ? 
As1 N1 As1 35.63(10) 4_565 . ? 
C1 N1 Li1 142.0(5) . . ? 
As1 N1 Li1 92.7(4) 4_565 . ? 
As1 N1 Li1 92.7(4) . . ? 
C1 N1 Li2 127.2(6) . 4_565 ? 
As1 N1 Li2 54.3(6) 4_565 4_565 ? 
As1 N1 Li2 84.4(6) . 4_565 ? 
Li1 N1 Li2 62.0(6) . 4_565 ? 
C1 N1 Li2 127.2(2) . . ? 
As1 N1 Li2 84.4(3) 4_565 . ? 
As1 N1 Li2 54.3(2) . . ? 
Li1 N1 Li2 62.0(2) . . ? 
Li2 N1 Li2 105.6(8) 4_565 . ? 
N1 C1 C2 112.2(4) . 4_565 ? 
N1 C1 C2 112.2(4) . . ? 
C2 C1 C2 109.9(8) 4_565 . ? 
N1 C1 C3 106.0(6) . . ? 
C2 C1 C3 108.1(5) 4_565 . ? 
C2 C1 C3 108.1(5) . . ? 
C4 N2 As1 125.7(4) . 4_565 ? 
C4 N2 As1 125.7(4) . . ? 
As1 N2 As1 34.71(10) 4_565 . ? 
C4 N2 Li1 139.8(5) . . ? 
As1 N2 Li1 92.4(4) 4_565 . ? 
As1 N2 Li1 92.4(4) . . ? 
C4 N2 Li2 125.0(3) . . ? 
As1 N2 Li2 85.3(3) 4_565 . ? 
As1 N2 Li2 55.2(2) . . ? 
Li1 N2 Li2 63.6(2) . . ? 
C4 N2 Li2 125.0(6) . 4_565 ? 
As1 N2 Li2 55.2(7) 4_565 4_565 ? 
As1 N2 Li2 85.3(7) . 4_565 ? 
Li1 N2 Li2 63.6(5) . 4_565 ? 
Li2 N2 Li2 110.0(9) . 4_565 ? 
N2 C4 C6 111.7(4) . 4_565 ? 
N2 C4 C6 111.7(4) . . ? 
C6 C4 C6 113.7(9) 4_565 . ? 
N2 C4 C5 106.4(6) . . ? 
C6 C4 C5 106.4(5) 4_565 . ? 
C6 C4 C5 106.4(5) . . ? 
C7 O1 C10 114.3(10) . . ? 
C7 O1 Li1 126.2(10) . . ? 
C10 O1 Li1 118.4(12) . . ? 
O1 C7 C8 103.9(11) . . ? 
C7 C8 C9 100.8(10) . . ? 
C10 C9 C8 108.1(7) . . ? 
O1 C10 C9 95.6(10) . . ? 
C7' O1' C10' 47.7(19) . . ? 
C7' O1' Li1 76.0(14) . . ? 
C10' O1' Li1 119.4(17) . . ? 
C7' O1' Li2 140.6(16) . . ? 
C10' O1' Li2 155.0(14) . . ? 
Li1 O1' Li2 65.3(5) . . ? 
O1' C7' C8' 119(2) . . ? 
C7' C8' C9' 87(2) . . ? 
C10' C9' C8' 69(3) . . ? 
C9' C10' O1' 108(3) . . ? 
C12 C11 C16 120.0 . . ? 
C12 C11 As1 120.6(3) . . ? 
C16 C11 As1 119.4(3) . . ? 
C11 C12 C13 120.0 . . ? 
C14 C13 C12 120.0 . . ? 
C15 C14 C13 120.0 . . ? 
C14 C15 C16 120.0 . . ? 
C15 C16 C11 120.0 . . ? 
As1 Li2 O2 111.3(3) . . ? 
As1 Li2 O1' 142.0(5) . . ? 
O2 Li2 O1' 106.6(5) . . ? 
As1 Li2 N2 52.0(2) . . ? 
O2 Li2 N2 132.2(5) . . ? 
O1' Li2 N2 100.1(5) . . ? 
As1 Li2 Li1 84.6(3) . . ? 
O2 Li2 Li1 163.7(5) . . ? 
O1' Li2 Li1 57.5(5) . . ? 
N2 Li2 Li1 54.9(3) . . ? 
As1 Li2 N1 49.4(2) . . ? 
O2 Li2 N1 138.5(5) . . ? 
O1' Li2 N1 100.8(5) . . ? 
N2 Li2 N1 70.3(2) . . ? 
Li1 Li2 N1 55.0(3) . . ? 
As1 Li2 As1 17.17(6) . 4_565 ? 
O2 Li2 As1 128.4(3) . 4_565 ? 
O1' Li2 As1 124.9(4) . 4_565 ? 
N2 Li2 As1 41.41(17) . 4_565 ? 
Li1 Li2 As1 67.4(3) . 4_565 ? 
N1 Li2 As1 40.10(16) . 4_565 ? 
As1 Li2 Li2 48.2(3) . 4_565 ? 
O2 Li2 Li2 158.8 . 4_565 ? 
O1' Li2 Li2 93.9(5) . 4_565 ? 
N2 Li2 Li2 35.0(5) . 4_565 ? 
Li1 Li2 Li2 36.5(5) . 4_565 ? 
N1 Li2 Li2 37.2(5) . 4_565 ? 
As1 Li2 Li2 31.0(3) 4_565 4_565 ? 
C20 O2 C17 111.6(8) . . ? 
C20 O2 Li2 126.7(10) . . ? 
C17 O2 Li2 119.5 . . ? 
C18 C17 O2 103.0(10) . . ? 
C17 C18 C19 103.5(17) . . ? 
C18 C19 C20 102.5(16) . . ? 
O2 C20 C19 105.3(12) . . ? 

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 
As1 Se1 As1 N1 57.19(11) 4_565 . . . ? 
As1 Se1 As1 N2 -59.72(10) 4_565 . . . ? 
As1 Se1 As1 Li2 -172.8(7) 4_565 . . . ? 
As1 Se1 As1 C11 177.80(17) 4_565 . . . ? 
As1 Se1 As1 Li2 -2.5(7) 4_565 . . 4_565 ? 
As1 Se1 As1 Li1 -5.5(6) 4_565 . . . ? 
As1 As1 Li1 C7' -10.3(18) 4_565 . . 4_565 ? 
N1 As1 Li1 C7' -86.3(18) . . . 4_565 ? 
N2 As1 Li1 C7' 66.3(18) . . . 4_565 ? 
Li2 As1 Li1 C7' 168(2) . . . 4_565 ? 
C11 As1 Li1 C7' 171.9(18) . . . 4_565 ? 
Se1 As1 Li1 C7' -5(2) . . . 4_565 ? 
Li2 As1 Li1 C7' -8.7(19) 4_565 . . 4_565 ? 
As1 As1 Li1 O1 176.3(8) 4_565 . . . ? 
N1 As1 Li1 O1 100.2(8) . . . . ? 
N2 As1 Li1 O1 -107.1(8) . . . . ? 
Li2 As1 Li1 O1 -5.9(8) . . . . ? 
C11 As1 Li1 O1 -1.5(8) . . . . ? 
Se1 As1 Li1 O1 -178.3(6) . . . . ? 
Li2 As1 Li1 O1 177.8(13) 4_565 . . . ? 
As1 As1 Li1 O1 5.3(11) 4_565 . . 4_565 ? 
N1 As1 Li1 O1 -70.8(11) . . . 4_565 ? 
N2 As1 Li1 O1 81.9(11) . . . 4_565 ? 
Li2 As1 Li1 O1 -176.9(14) . . . 4_565 ? 
C11 As1 Li1 O1 -172.5(11) . . . 4_565 ? 
Se1 As1 Li1 O1 10.7(16) . . . 4_565 ? 
Li2 As1 Li1 O1 6.8(13) 4_565 . . 4_565 ? 
As1 As1 Li1 N2 -76.62(8) 4_565 . . . ? 
N1 As1 Li1 N2 -152.64(12) . . . . ? 
Li2 As1 Li1 N2 101.2(5) . . . . ? 
C11 As1 Li1 N2 105.61(19) . . . . ? 
Se1 As1 Li1 N2 -71.2(6) . . . . ? 
Li2 As1 Li1 N2 -75.0(9) 4_565 . . . ? 
As1 As1 Li1 O1' -178.8(6) 4_565 . . . ? 
N1 As1 Li1 O1' 105.2(6) . . . . ? 
N2 As1 Li1 O1' -102.2(6) . . . . ? 
Li2 As1 Li1 O1' -1.0(6) . . . . ? 
C11 As1 Li1 O1' 3.4(6) . . . . ? 
Se1 As1 Li1 O1' -173.4(4) . . . . ? 
Li2 As1 Li1 O1' -177.2(11) 4_565 . . . ? 
As1 As1 Li1 O1' -1.4(7) 4_565 . . 4_565 ? 
N1 As1 Li1 O1' -77.4(7) . . . 4_565 ? 
N2 As1 Li1 O1' 75.3(7) . . . 4_565 ? 
Li2 As1 Li1 O1' 176.5(9) . . . 4_565 ? 
C11 As1 Li1 O1' -179.1(7) . . . 4_565 ? 
Se1 As1 Li1 O1' 4.1(12) . . . 4_565 ? 
Li2 As1 Li1 O1' 0.2(10) 4_565 . . 4_565 ? 
As1 As1 Li1 N1 76.02(8) 4_565 . . . ? 
N2 As1 Li1 N1 152.64(12) . . . . ? 
Li2 As1 Li1 N1 -106.1(5) . . . . ? 
C11 As1 Li1 N1 -101.76(19) . . . . ? 
Se1 As1 Li1 N1 81.5(6) . . . . ? 
Li2 As1 Li1 N1 77.6(9) 4_565 . . . ? 
As1 As1 Li1 Li2 -1.6(9) 4_565 . . 4_565 ? 
N1 As1 Li1 Li2 -77.6(9) . . . 4_565 ? 
N2 As1 Li1 Li2 75.0(9) . . . 4_565 ? 
Li2 As1 Li1 Li2 176.3(13) . . . 4_565 ? 
C11 As1 Li1 Li2 -179.4(10) . . . 4_565 ? 
Se1 As1 Li1 Li2 3.9(11) . . . 4_565 ? 
As1 As1 Li1 Li2 -177.9(4) 4_565 . . . ? 
N1 As1 Li1 Li2 106.1(5) . . . . ? 
N2 As1 Li1 Li2 -101.2(5) . . . . ? 
C11 As1 Li1 Li2 4.4(4) . . . . ? 
Se1 As1 Li1 Li2 -172.4(5) . . . . ? 
Li2 As1 Li1 Li2 -176.3(13) 4_565 . . . ? 
N1 As1 Li1 As1 -76.02(8) . . . 4_565 ? 
N2 As1 Li1 As1 76.62(8) . . . 4_565 ? 
Li2 As1 Li1 As1 177.9(4) . . . 4_565 ? 
C11 As1 Li1 As1 -177.77(17) . . . 4_565 ? 
Se1 As1 Li1 As1 5.5(6) . . . 4_565 ? 
Li2 As1 Li1 As1 1.6(9) 4_565 . . 4_565 ? 
As1 As1 N1 C1 102.20(19) 4_565 . . . ? 
N2 As1 N1 C1 173.38(18) . . . . ? 
Li2 As1 N1 C1 -114.7(3) . . . . ? 
C11 As1 N1 C1 -77.7(2) . . . . ? 
Se1 As1 N1 C1 43.03(18) . . . . ? 
Li2 As1 N1 C1 131.6(6) 4_565 . . . ? 
Li1 As1 N1 C1 -166.9(2) . . . . ? 
N2 As1 N1 As1 71.18(9) . . . 4_565 ? 
Li2 As1 N1 As1 143.1(2) . . . 4_565 ? 
C11 As1 N1 As1 -179.86(15) . . . 4_565 ? 
Se1 As1 N1 As1 -59.17(11) . . . 4_565 ? 
Li2 As1 N1 As1 29.4(5) 4_565 . . 4_565 ? 
Li1 As1 N1 As1 90.86(12) . . . 4_565 ? 
As1 As1 N1 Li1 -90.86(12) 4_565 . . . ? 
N2 As1 N1 Li1 -19.68(13) . . . . ? 
Li2 As1 N1 Li1 52.2(3) . . . . ? 
C11 As1 N1 Li1 89.29(19) . . . . ? 
Se1 As1 N1 Li1 -150.03(12) . . . . ? 
Li2 As1 N1 Li1 -61.5(6) 4_565 . . . ? 
As1 As1 N1 Li2 -29.4(5) 4_565 . . 4_565 ? 
N2 As1 N1 Li2 41.8(6) . . . 4_565 ? 
Li2 As1 N1 Li2 113.7(7) . . . 4_565 ? 
C11 As1 N1 Li2 150.8(7) . . . 4_565 ? 
Se1 As1 N1 Li2 -88.5(6) . . . 4_565 ? 
Li1 As1 N1 Li2 61.5(6) . . . 4_565 ? 
As1 As1 N1 Li2 -143.1(2) 4_565 . . . ? 
N2 As1 N1 Li2 -71.9(2) . . . . ? 
C11 As1 N1 Li2 37.09(18) . . . . ? 
Se1 As1 N1 Li2 157.8(2) . . . . ? 
Li2 As1 N1 Li2 -113.7(7) 4_565 . . . ? 
Li1 As1 N1 Li2 -52.2(3) . . . . ? 
C7' Li1 N1 C1 -54.0(10) 4_565 . . . ? 
O1 Li1 N1 C1 59.8(8) . . . . ? 
O1 Li1 N1 C1 -59.8(8) 4_565 . . . ? 
N2 Li1 N1 C1 180.000(1) . . . . ? 
O1' Li1 N1 C1 77.8(5) . . . . ? 
O1' Li1 N1 C1 -77.8(5) 4_565 . . . ? 
Li2 Li1 N1 C1 -115.6(7) 4_565 . . . ? 
Li2 Li1 N1 C1 115.6(3) . . . . ? 
As1 Li1 N1 C1 -162.16(5) 4_565 . . . ? 
As1 Li1 N1 C1 162.16(5) . . . . ? 
C7' Li1 N1 As1 108.1(10) 4_565 . . 4_565 ? 
O1 Li1 N1 As1 -138.0(8) . . . 4_565 ? 
O1 Li1 N1 As1 102.4(8) 4_565 . . 4_565 ? 
N2 Li1 N1 As1 -17.84(5) . . . 4_565 ? 
O1' Li1 N1 As1 -120.1(5) . . . 4_565 ? 
O1' Li1 N1 As1 84.4(6) 4_565 . . 4_565 ? 
Li2 Li1 N1 As1 46.6(7) 4_565 . . 4_565 ? 
Li2 Li1 N1 As1 -82.3(3) . . . 4_565 ? 
As1 Li1 N1 As1 -35.67(11) . . . 4_565 ? 
C7' Li1 N1 As1 143.8(10) 4_565 . . . ? 
O1 Li1 N1 As1 -102.4(8) . . . . ? 
O1 Li1 N1 As1 138.0(8) 4_565 . . . ? 
N2 Li1 N1 As1 17.84(5) . . . . ? 
O1' Li1 N1 As1 -84.4(6) . . . . ? 
O1' Li1 N1 As1 120.1(5) 4_565 . . . ? 
Li2 Li1 N1 As1 82.3(7) 4_565 . . . ? 
Li2 Li1 N1 As1 -46.6(3) . . . . ? 
As1 Li1 N1 As1 35.67(11) 4_565 . . . ? 
C7' Li1 N1 Li2 61.5(11) 4_565 . . 4_565 ? 
O1 Li1 N1 Li2 175.4(12) . . . 4_565 ? 
O1 Li1 N1 Li2 55.8(10) 4_565 . . 4_565 ? 
N2 Li1 N1 Li2 -64.4(7) . . . 4_565 ? 
O1' Li1 N1 Li2 -166.7(10) . . . 4_565 ? 
O1' Li1 N1 Li2 37.8(8) 4_565 . . 4_565 ? 
Li2 Li1 N1 Li2 -128.9(10) . . . 4_565 ? 
As1 Li1 N1 Li2 -46.6(7) 4_565 . . 4_565 ? 
As1 Li1 N1 Li2 -82.3(7) . . . 4_565 ? 
C7' Li1 N1 Li2 -169.6(11) 4_565 . . . ? 
O1 Li1 N1 Li2 -55.8(8) . . . . ? 
O1 Li1 N1 Li2 -175.4(10) 4_565 . . . ? 
N2 Li1 N1 Li2 64.4(3) . . . . ? 
O1' Li1 N1 Li2 -37.8(5) . . . . ? 
O1' Li1 N1 Li2 166.7(7) 4_565 . . . ? 
Li2 Li1 N1 Li2 128.9(10) 4_565 . . . ? 
As1 Li1 N1 Li2 82.3(3) 4_565 . . . ? 
As1 Li1 N1 Li2 46.6(3) . . . . ? 
As1 N1 C1 C2 -40.7(6) 4_565 . . 4_565 ? 
As1 N1 C1 C2 -83.6(5) . . . 4_565 ? 
Li1 N1 C1 C2 117.8(6) . . . 4_565 ? 
Li2 N1 C1 C2 27.1(10) 4_565 . . 4_565 ? 
Li2 N1 C1 C2 -151.4(5) . . . 4_565 ? 
As1 N1 C1 C2 83.6(5) 4_565 . . . ? 
As1 N1 C1 C2 40.7(6) . . . . ? 
Li1 N1 C1 C2 -117.8(6) . . . . ? 
Li2 N1 C1 C2 151.4(8) 4_565 . . . ? 
Li2 N1 C1 C2 -27.1(8) . . . . ? 
As1 N1 C1 C3 -158.52(13) 4_565 . . . ? 
As1 N1 C1 C3 158.52(13) . . . . ? 
Li1 N1 C1 C3 0.0 . . . . ? 
Li2 N1 C1 C3 -90.7(8) 4_565 . . . ? 
Li2 N1 C1 C3 90.7(4) . . . . ? 
As1 As1 N2 C4 -103.0(2) 4_565 . . . ? 
N1 As1 N2 C4 -173.74(19) . . . . ? 
Li2 As1 N2 C4 111.2(3) . . . . ? 
C11 As1 N2 C4 79.9(3) . . . . ? 
Se1 As1 N2 C4 -41.33(19) . . . . ? 
Li2 As1 N2 C4 -130.5(6) 4_565 . . . ? 
Li1 As1 N2 C4 166.3(2) . . . . ? 
N1 As1 N2 As1 -70.76(9) . . . 4_565 ? 
Li2 As1 N2 As1 -145.9(3) . . . 4_565 ? 
C11 As1 N2 As1 -177.12(16) . . . 4_565 ? 
Se1 As1 N2 As1 61.65(10) . . . 4_565 ? 
Li2 As1 N2 As1 -27.5(5) 4_565 . . 4_565 ? 
Li1 As1 N2 As1 -90.75(11) . . . 4_565 ? 
As1 As1 N2 Li1 90.75(11) 4_565 . . . ? 
N1 As1 N2 Li1 20.00(12) . . . . ? 
Li2 As1 N2 Li1 -55.1(3) . . . . ? 
C11 As1 N2 Li1 -86.37(19) . . . . ? 
Se1 As1 N2 Li1 152.40(11) . . . . ? 
Li2 As1 N2 Li1 63.2(5) 4_565 . . . ? 
As1 As1 N2 Li2 145.9(3) 4_565 . . . ? 
N1 As1 N2 Li2 75.1(3) . . . . ? 
C11 As1 N2 Li2 -31.3(2) . . . . ? 
Se1 As1 N2 Li2 -152.5(2) . . . . ? 
Li2 As1 N2 Li2 118.3(7) 4_565 . . . ? 
Li1 As1 N2 Li2 55.1(3) . . . . ? 
As1 As1 N2 Li2 27.5(5) 4_565 . . 4_565 ? 
N1 As1 N2 Li2 -43.2(5) . . . 4_565 ? 
Li2 As1 N2 Li2 -118.3(7) . . . 4_565 ? 
C11 As1 N2 Li2 -149.6(6) . . . 4_565 ? 
Se1 As1 N2 Li2 89.2(5) . . . 4_565 ? 
Li1 As1 N2 Li2 -63.2(5) . . . 4_565 ? 
C7' Li1 N2 C4 46.4(9) 4_565 . . . ? 
O1 Li1 N2 C4 -64.4(7) . . . . ? 
O1 Li1 N2 C4 64.4(7) 4_565 . . . ? 
O1' Li1 N2 C4 -75.6(6) . . . . ? 
O1' Li1 N2 C4 75.6(6) 4_565 . . . ? 
N1 Li1 N2 C4 180.000(2) . . . . ? 
Li2 Li1 N2 C4 113.9(8) 4_565 . . . ? 
Li2 Li1 N2 C4 -113.9(3) . . . . ? 
As1 Li1 N2 C4 162.63(5) 4_565 . . . ? 
As1 Li1 N2 C4 -162.63(5) . . . . ? 
C7' Li1 N2 As1 -116.3(9) 4_565 . . 4_565 ? 
O1 Li1 N2 As1 133.0(7) . . . 4_565 ? 
O1 Li1 N2 As1 -98.2(7) 4_565 . . 4_565 ? 
O1' Li1 N2 As1 121.8(6) . . . 4_565 ? 
O1' Li1 N2 As1 -87.1(6) 4_565 . . 4_565 ? 
N1 Li1 N2 As1 17.37(5) . . . 4_565 ? 
Li2 Li1 N2 As1 -48.8(8) 4_565 . . 4_565 ? 
Li2 Li1 N2 As1 83.5(3) . . . 4_565 ? 
As1 Li1 N2 As1 34.74(11) . . . 4_565 ? 
C7' Li1 N2 As1 -151.0(9) 4_565 . . . ? 
O1 Li1 N2 As1 98.2(7) . . . . ? 
O1 Li1 N2 As1 -133.0(7) 4_565 . . . ? 
O1' Li1 N2 As1 87.1(6) . . . . ? 
O1' Li1 N2 As1 -121.8(6) 4_565 . . . ? 
N1 Li1 N2 As1 -17.37(5) . . . . ? 
Li2 Li1 N2 As1 -83.5(8) 4_565 . . . ? 
Li2 Li1 N2 As1 48.8(3) . . . . ? 
As1 Li1 N2 As1 -34.74(11) 4_565 . . . ? 
C7' Li1 N2 Li2 160.2(10) 4_565 . . . ? 
O1 Li1 N2 Li2 49.5(7) . . . . ? 
O1 Li1 N2 Li2 178.2(8) 4_565 . . . ? 
O1' Li1 N2 Li2 38.3(6) . . . . ? 
O1' Li1 N2 Li2 -170.6(7) 4_565 . . . ? 
N1 Li1 N2 Li2 -66.1(3) . . . . ? 
Li2 Li1 N2 Li2 -132.3(11) 4_565 . . . ? 
As1 Li1 N2 Li2 -83.5(3) 4_565 . . . ? 
As1 Li1 N2 Li2 -48.8(3) . . . . ? 
C7' Li1 N2 Li2 -67.5(12) 4_565 . . 4_565 ? 
O1 Li1 N2 Li2 -178.2(11) . . . 4_565 ? 
O1 Li1 N2 Li2 -49.5(10) 4_565 . . 4_565 ? 
O1' Li1 N2 Li2 170.6(10) . . . 4_565 ? 
O1' Li1 N2 Li2 -38.3(9) 4_565 . . 4_565 ? 
N1 Li1 N2 Li2 66.1(8) . . . 4_565 ? 
Li2 Li1 N2 Li2 132.3(11) . . . 4_565 ? 
As1 Li1 N2 Li2 48.8(8) 4_565 . . 4_565 ? 
As1 Li1 N2 Li2 83.5(8) . . . 4_565 ? 
As1 N2 C4 C6 42.8(6) 4_565 . . 4_565 ? 
As1 N2 C4 C6 85.9(5) . . . 4_565 ? 
Li1 N2 C4 C6 -115.7(6) . . . 4_565 ? 
Li2 N2 C4 C6 155.1(6) . . . 4_565 ? 
Li2 N2 C4 C6 -26.4(11) 4_565 . . 4_565 ? 
As1 N2 C4 C6 -85.9(5) 4_565 . . . ? 
As1 N2 C4 C6 -42.8(6) . . . . ? 
Li1 N2 C4 C6 115.7(6) . . . . ? 
Li2 N2 C4 C6 26.4(8) . . . . ? 
Li2 N2 C4 C6 -155.1(9) 4_565 . . . ? 
As1 N2 C4 C5 158.45(14) 4_565 . . . ? 
As1 N2 C4 C5 -158.45(14) . . . . ? 
Li1 N2 C4 C5 0.000(2) . . . . ? 
Li2 N2 C4 C5 -89.2(4) . . . . ? 
Li2 N2 C4 C5 89.2(8) 4_565 . . . ? 
C7' Li1 O1 C7 98.8(19) 4_565 . . . ? 
O1 Li1 O1 C7 90.3(17) 4_565 . . . ? 
N2 Li1 O1 C7 -131.4(17) . . . . ? 
O1' Li1 O1 C7 -98(2) . . . . ? 
O1' Li1 O1 C7 93.7(18) 4_565 . . . ? 
N1 Li1 O1 C7 -39(2) . . . . ? 
Li2 Li1 O1 C7 69(14) 4_565 . . . ? 
Li2 Li1 O1 C7 -88.1(18) . . . . ? 
As1 Li1 O1 C7 -82(2) 4_565 . . . ? 
As1 Li1 O1 C7 -84(2) . . . . ? 
C7' Li1 O1 C10 -93.7(12) 4_565 . . . ? 
O1 Li1 O1 C10 -102.2(14) 4_565 . . . ? 
N2 Li1 O1 C10 36.1(14) . . . . ? 
O1' Li1 O1 C10 69(2) . . . . ? 
O1' Li1 O1 C10 -98.8(13) 4_565 . . . ? 
N1 Li1 O1 C10 128.6(10) . . . . ? 
Li2 Li1 O1 C10 -123(14) 4_565 . . . ? 
Li2 Li1 O1 C10 79.4(12) . . . . ? 
As1 Li1 O1 C10 85.8(13) 4_565 . . . ? 
As1 Li1 O1 C10 83.5(11) . . . . ? 
C10 O1 C7 C8 40(2) . . . . ? 
Li1 O1 C7 C8 -151.9(12) . . . . ? 
O1 C7 C8 C9 -40.4(15) . . . . ? 
C7 C8 C9 C10 29.9(12) . . . . ? 
C7 O1 C10 C9 -18.8(17) . . . . ? 
Li1 O1 C10 C9 172.3(10) . . . . ? 
C8 C9 C10 O1 -8.0(11) . . . . ? 
C7' Li1 O1' C7' -1.5(9) 4_565 . . . ? 
O1 Li1 O1' C7' -19(2) . . . . ? 
O1 Li1 O1' C7' -9.5(15) 4_565 . . . ? 
N2 Li1 O1' C7' 132.2(13) . . . . ? 
O1' Li1 O1' C7' -3(2) 4_565 . . . ? 
N1 Li1 O1' C7' -146.9(13) . . . . ? 
Li2 Li1 O1' C7' 164(4) 4_565 . . . ? 
Li2 Li1 O1' C7' 172.6(14) . . . . ? 
As1 Li1 O1' C7' 172.8(13) 4_565 . . . ? 
As1 Li1 O1' C7' 173.4(13) . . . . ? 
C7' Li1 O1' C10' -21.7(18) 4_565 . . . ? 
O1 Li1 O1' C10' -39(2) . . . . ? 
O1 Li1 O1' C10' -29.7(18) 4_565 . . . ? 
N2 Li1 O1' C10' 112.0(15) . . . . ? 
O1' Li1 O1' C10' -24(2) 4_565 . . . ? 
N1 Li1 O1' C10' -167.1(15) . . . . ? 
Li2 Li1 O1' C10' 144(4) 4_565 . . . ? 
Li2 Li1 O1' C10' 152.4(16) . . . . ? 
As1 Li1 O1' C10' 152.6(15) 4_565 . . . ? 
As1 Li1 O1' C10' 153.2(15) . . . . ? 
C7' Li1 O1' Li2 -174.1(9) 4_565 . . . ? 
O1 Li1 O1' Li2 168(2) . . . . ? 
O1 Li1 O1' Li2 177.9(10) 4_565 . . . ? 
N2 Li1 O1' Li2 -40.4(6) . . . . ? 
O1' Li1 O1' Li2 -176.0(13) 4_565 . . . ? 
N1 Li1 O1' Li2 40.5(6) . . . . ? 
Li2 Li1 O1' Li2 -8(4) 4_565 . . . ? 
As1 Li1 O1' Li2 0.2(7) 4_565 . . . ? 
As1 Li1 O1' Li2 0.8(5) . . . . ? 
C10' O1' C7' C8' -83(3) . . . . ? 
Li1 O1' C7' C8' 121(2) . . . . ? 
Li2 O1' C7' C8' 131(2) . . . . ? 
O1' C7' C8' C9' 68(3) . . . . ? 
C7' C8' C9' C10' 18(2) . . . . ? 
C8' C9' C10' O1' -67(3) . . . . ? 
C7' O1' C10' C9' 102(4) . . . . ? 
Li1 O1' C10' C9' 129(3) . . . . ? 
Li2 O1' C10' C9' -136(3) . . . . ? 
As1 As1 C11 C12 135(3) 4_565 . . . ? 
N1 As1 C11 C12 137.7(4) . . . . ? 
N2 As1 C11 C12 -125.6(4) . . . . ? 
Li2 As1 C11 C12 -168.6 . . . . ? 
Se1 As1 C11 C12 5.2(4) . . . . ? 
Li2 As1 C11 C12 -174.2(11) 4_565 . . . ? 
Li1 As1 C11 C12 -173.4(4) . . . . ? 
As1 As1 C11 C16 -44(3) 4_565 . . . ? 
N1 As1 C11 C16 -40.8(5) . . . . ? 
N2 As1 C11 C16 56.0(5) . . . . ? 
Li2 As1 C11 C16 13.0(5) . . . . ? 
Se1 As1 C11 C16 -173.2(4) . . . . ? 
Li2 As1 C11 C16 7.3(17) 4_565 . . . ? 
Li1 As1 C11 C16 8.2(5) . . . . ? 
C16 C11 C12 C13 0.0 . . . . ? 
As1 C11 C12 C13 -178.4(5) . . . . ? 
C11 C12 C13 C14 0.0 . . . . ? 
C12 C13 C14 C15 0.0 . . . . ? 
C13 C14 C15 C16 0.0 . . . . ? 
C14 C15 C16 C11 0.0 . . . . ? 
C12 C11 C16 C15 0.0 . . . . ? 
As1 C11 C16 C15 178.5(5) . . . . ? 
As1 As1 Li2 O2 -173.5(2) 4_565 . . . ? 
N1 As1 Li2 O2 136.3(5) . . . . ? 
N2 As1 Li2 O2 -127.6(5) . . . . ? 
C11 As1 Li2 O2 9.6(4) . . . . ? 
Se1 As1 Li2 O2 -2.9(10) . . . . ? 
Li2 As1 Li2 O2 -173.5(3) 4_565 . . . ? 
Li1 As1 Li2 O2 -176.3(7) . . . . ? 
As1 As1 Li2 O1' 4.4(13) 4_565 . . . ? 
N1 As1 Li2 O1' -45.8(10) . . . . ? 
N2 As1 Li2 O1' 50.3(10) . . . . ? 
C11 As1 Li2 O1' -172.5(12) . . . . ? 
Se1 As1 Li2 O1' 174.9(7) . . . . ? 
Li2 As1 Li2 O1' 4.4(16) 4_565 . . . ? 
Li1 As1 Li2 O1' 1.5(9) . . . . ? 
As1 As1 Li2 N2 -45.9(4) 4_565 . . . ? 
N1 As1 Li2 N2 -96.09(19) . . . . ? 
C11 As1 Li2 N2 137.2(3) . . . . ? 
Se1 As1 Li2 N2 124.6(5) . . . . ? 
Li2 As1 Li2 N2 -45.9(8) 4_565 . . . ? 
Li1 As1 Li2 N2 -48.7(4) . . . . ? 
As1 As1 Li2 Li1 2.8(6) 4_565 . . . ? 
N1 As1 Li2 Li1 -47.3(4) . . . . ? 
N2 As1 Li2 Li1 48.7(4) . . . . ? 
C11 As1 Li2 Li1 -174.1(5) . . . . ? 
Se1 As1 Li2 Li1 173.4(5) . . . . ? 
Li2 As1 Li2 Li1 2.8(10) 4_565 . . . ? 
As1 As1 Li2 N1 50.2(4) 4_565 . . . ? 
N2 As1 Li2 N1 96.09(19) . . . . ? 
C11 As1 Li2 N1 -126.7(3) . . . . ? 
Se1 As1 Li2 N1 -139.3(5) . . . . ? 
Li2 As1 Li2 N1 50.2(8) 4_565 . . . ? 
Li1 As1 Li2 N1 47.3(4) . . . . ? 
N1 As1 Li2 As1 -50.2(4) . . . 4_565 ? 
N2 As1 Li2 As1 45.9(4) . . . 4_565 ? 
C11 As1 Li2 As1 -176.9(2) . . . 4_565 ? 
Se1 As1 Li2 As1 170.6(9) . . . 4_565 ? 
Li2 As1 Li2 As1 0.0(5) 4_565 . . 4_565 ? 
Li1 As1 Li2 As1 -2.8(6) . . . 4_565 ? 
As1 As1 Li2 Li2 0.0(5) 4_565 . . 4_565 ? 
N1 As1 Li2 Li2 -50.2(8) . . . 4_565 ? 
N2 As1 Li2 Li2 45.9(8) . . . 4_565 ? 
C11 As1 Li2 Li2 -176.9(6) . . . 4_565 ? 
Se1 As1 Li2 Li2 170.6(12) . . . 4_565 ? 
Li1 As1 Li2 Li2 -2.8(10) . . . 4_565 ? 
C7' O1' Li2 As1 -13(3) . . . . ? 
C10' O1' Li2 As1 -109(4) . . . . ? 
Li1 O1' Li2 As1 -1.8(11) . . . . ? 
C7' O1' Li2 O2 165(2) . . . . ? 
C10' O1' Li2 O2 69(4) . . . . ? 
Li1 O1' Li2 O2 176.1(7) . . . . ? 
C7' O1' Li2 N2 25(2) . . . . ? 
C10' O1' Li2 N2 -71(4) . . . . ? 
Li1 O1' Li2 N2 36.2(5) . . . . ? 
C7' O1' Li2 Li1 -11(2) . . . . ? 
C10' O1' Li2 Li1 -107(4) . . . . ? 
C7' O1' Li2 N1 -47(2) . . . . ? 
C10' O1' Li2 N1 -142(4) . . . . ? 
Li1 O1' Li2 N1 -35.5(5) . . . . ? 
C7' O1' Li2 As1 -12(3) . . . 4_565 ? 
C10' O1' Li2 As1 -107(4) . . . 4_565 ? 
Li1 O1' Li2 As1 -0.3(7) . . . 4_565 ? 
C7' O1' Li2 Li2 -10(2) . . . 4_565 ? 
C10' O1' Li2 Li2 -106(4) . . . 4_565 ? 
Li1 O1' Li2 Li2 1.4(6) . . . 4_565 ? 
C4 N2 Li2 As1 -112.4(5) . . . . ? 
As1 N2 Li2 As1 18.70(14) 4_565 . . . ? 
Li1 N2 Li2 As1 113.8(4) . . . . ? 
Li2 N2 Li2 As1 68.9(7) 4_565 . . . ? 
C4 N2 Li2 O2 -27.2(9) . . . . ? 
As1 N2 Li2 O2 103.8(6) 4_565 . . . ? 
As1 N2 Li2 O2 85.1(5) . . . . ? 
Li1 N2 Li2 O2 -161.1(8) . . . . ? 
Li2 N2 Li2 O2 154.1(3) 4_565 . . . ? 
C4 N2 Li2 O1' 96.4(6) . . . . ? 
As1 N2 Li2 O1' -132.6(5) 4_565 . . . ? 
As1 N2 Li2 O1' -151.3(6) . . . . ? 
Li1 N2 Li2 O1' -37.5(5) . . . . ? 
Li2 N2 Li2 O1' -82.3(10) 4_565 . . . ? 
C4 N2 Li2 Li1 133.9(6) . . . . ? 
As1 N2 Li2 Li1 -95.1(4) 4_565 . . . ? 
As1 N2 Li2 Li1 -113.8(4) . . . . ? 
Li2 N2 Li2 Li1 -44.8(9) 4_565 . . . ? 
C4 N2 Li2 N1 -165.7(5) . . . . ? 
As1 N2 Li2 N1 -34.65(19) 4_565 . . . ? 
As1 N2 Li2 N1 -53.3(2) . . . . ? 
Li1 N2 Li2 N1 60.4(4) . . . . ? 
Li2 N2 Li2 N1 15.6(8) 4_565 . . . ? 
C4 N2 Li2 As1 -131.1(6) . . . 4_565 ? 
As1 N2 Li2 As1 -18.70(14) . . . 4_565 ? 
Li1 N2 Li2 As1 95.1(4) . . . 4_565 ? 
Li2 N2 Li2 As1 50.2(7) 4_565 . . 4_565 ? 
C4 N2 Li2 Li2 178.7(10) . . . 4_565 ? 
As1 N2 Li2 Li2 -50.2(7) 4_565 . . 4_565 ? 
As1 N2 Li2 Li2 -68.9(7) . . . 4_565 ? 
Li1 N2 Li2 Li2 44.8(9) . . . 4_565 ? 
C7' Li1 Li2 As1 -162(3) 4_565 . . . ? 
O1 Li1 Li2 As1 174.7(7) . . . . ? 
O1 Li1 Li2 As1 153(10) 4_565 . . . ? 
N2 Li1 Li2 As1 -46.4(3) . . . . ? 
O1' Li1 Li2 As1 178.9(7) . . . . ? 
O1' Li1 Li2 As1 -11(3) 4_565 . . . ? 
N1 Li1 Li2 As1 43.0(3) . . . . ? 
Li2 Li1 Li2 As1 -3.5(12) 4_565 . . . ? 
As1 Li1 Li2 As1 -0.90(19) 4_565 . . . ? 
C7' Li1 Li2 O2 5(4) 4_565 . . . ? 
O1 Li1 Li2 O2 -18(2) . . . . ? 
O1 Li1 Li2 O2 -39(12) 4_565 . . . ? 
N2 Li1 Li2 O2 121(2) . . . . ? 
O1' Li1 Li2 O2 -13(2) . . . . ? 
O1' Li1 Li2 O2 157(2) 4_565 . . . ? 
N1 Li1 Li2 O2 -149(2) . . . . ? 
Li2 Li1 Li2 O2 164.2(13) 4_565 . . . ? 
As1 Li1 Li2 O2 167(2) 4_565 . . . ? 
As1 Li1 Li2 O2 168(2) . . . . ? 
C7' Li1 Li2 O1' 19(3) 4_565 . . . ? 
O1 Li1 Li2 O1' -4.1(8) . . . . ? 
O1 Li1 Li2 O1' -25(10) 4_565 . . . ? 
N2 Li1 Li2 O1' 134.7(7) . . . . ? 
O1' Li1 Li2 O1' 170(3) 4_565 . . . ? 
N1 Li1 Li2 O1' -135.9(6) . . . . ? 
Li2 Li1 Li2 O1' 177.6(10) 4_565 . . . ? 
As1 Li1 Li2 O1' -179.8(6) 4_565 . . . ? 
As1 Li1 Li2 O1' -178.9(7) . . . . ? 
C7' Li1 Li2 N2 -116(3) 4_565 . . . ? 
O1 Li1 Li2 N2 -138.8(7) . . . . ? 
O1 Li1 Li2 N2 -160(10) 4_565 . . . ? 
O1' Li1 Li2 N2 -134.7(7) . . . . ? 
O1' Li1 Li2 N2 35(3) 4_565 . . . ? 
N1 Li1 Li2 N2 89.5(3) . . . . ? 
Li2 Li1 Li2 N2 42.9(10) 4_565 . . . ? 
As1 Li1 Li2 N2 45.53(19) 4_565 . . . ? 
As1 Li1 Li2 N2 46.4(3) . . . . ? 
C7' Li1 Li2 N1 155(3) 4_565 . . . ? 
O1 Li1 Li2 N1 131.7(7) . . . . ? 
O1 Li1 Li2 N1 110(10) 4_565 . . . ? 
N2 Li1 Li2 N1 -89.5(3) . . . . ? 
O1' Li1 Li2 N1 135.9(6) . . . . ? 
O1' Li1 Li2 N1 -54(3) 4_565 . . . ? 
Li2 Li1 Li2 N1 -46.6(10) 4_565 . . . ? 
As1 Li1 Li2 N1 -43.92(19) 4_565 . . . ? 
As1 Li1 Li2 N1 -43.0(3) . . . . ? 
C7' Li1 Li2 As1 -162(3) 4_565 . . 4_565 ? 
O1 Li1 Li2 As1 175.6(7) . . . 4_565 ? 
O1 Li1 Li2 As1 154(10) 4_565 . . 4_565 ? 
N2 Li1 Li2 As1 -45.5(2) . . . 4_565 ? 
O1' Li1 Li2 As1 179.8(6) . . . 4_565 ? 
O1' Li1 Li2 As1 -10(3) 4_565 . . 4_565 ? 
N1 Li1 Li2 As1 43.92(19) . . . 4_565 ? 
Li2 Li1 Li2 As1 -2.6(10) 4_565 . . 4_565 ? 
As1 Li1 Li2 As1 0.90(19) . . . 4_565 ? 
C7' Li1 Li2 Li2 -159(3) 4_565 . . 4_565 ? 
O1 Li1 Li2 Li2 178.3(12) . . . 4_565 ? 
O1 Li1 Li2 Li2 157(11) 4_565 . . 4_565 ? 
N2 Li1 Li2 Li2 -42.9(10) . . . 4_565 ? 
O1' Li1 Li2 Li2 -177.6(10) . . . 4_565 ? 
O1' Li1 Li2 Li2 -7(2) 4_565 . . 4_565 ? 
N1 Li1 Li2 Li2 46.6(10) . . . 4_565 ? 
As1 Li1 Li2 Li2 2.6(10) 4_565 . . 4_565 ? 
As1 Li1 Li2 Li2 3.5(12) . . . 4_565 ? 
C1 N1 Li2 As1 107.7(5) . . . . ? 
As1 N1 Li2 As1 -20.60(14) 4_565 . . . ? 
Li1 N1 Li2 As1 -116.6(4) . . . . ? 
Li2 N1 Li2 As1 -71.1(6) 4_565 . . . ? 
C1 N1 Li2 O2 31.8(9) . . . . ? 
As1 N1 Li2 O2 -96.5(6) 4_565 . . . ? 
As1 N1 Li2 O2 -75.9(6) . . . . ? 
Li1 N1 Li2 O2 167.5(8) . . . . ? 
Li2 N1 Li2 O2 -147.0(3) 4_565 . . . ? 
C1 N1 Li2 O1' -99.0(7) . . . . ? 
As1 N1 Li2 O1' 132.7(5) 4_565 . . . ? 
As1 N1 Li2 O1' 153.3(6) . . . . ? 
Li1 N1 Li2 O1' 36.7(6) . . . . ? 
Li2 N1 Li2 O1' 82.2(9) 4_565 . . . ? 
C1 N1 Li2 N2 164.0(5) . . . . ? 
As1 N1 Li2 N2 35.73(19) 4_565 . . . ? 
As1 N1 Li2 N2 56.3(2) . . . . ? 
Li1 N1 Li2 N2 -60.3(4) . . . . ? 
Li2 N1 Li2 N2 -14.8(7) 4_565 . . . ? 
C1 N1 Li2 Li1 -135.7(6) . . . . ? 
As1 N1 Li2 Li1 96.0(4) 4_565 . . . ? 
As1 N1 Li2 Li1 116.6(4) . . . . ? 
Li2 N1 Li2 Li1 45.5(8) 4_565 . . . ? 
C1 N1 Li2 As1 128.3(6) . . . 4_565 ? 
As1 N1 Li2 As1 20.60(14) . . . 4_565 ? 
Li1 N1 Li2 As1 -96.0(4) . . . 4_565 ? 
Li2 N1 Li2 As1 -50.5(6) 4_565 . . 4_565 ? 
C1 N1 Li2 Li2 178.8(9) . . . 4_565 ? 
As1 N1 Li2 Li2 50.5(6) 4_565 . . 4_565 ? 
As1 N1 Li2 Li2 71.1(6) . . . 4_565 ? 
Li1 N1 Li2 Li2 -45.5(8) . . . 4_565 ? 
As1 Li2 O2 C20 -150.8(12) . . . . ? 
O1' Li2 O2 C20 30.6(15) . . . . ? 
N2 Li2 O2 C20 151.8(12) . . . . ? 
Li1 Li2 O2 C20 42(3) . . . . ? 
N1 Li2 O2 C20 -98.5(13) . . . . ? 
As1 Li2 O2 C20 -153.2(12) 4_565 . . . ? 
Li2 Li2 O2 C20 -164.3(14) 4_565 . . . ? 
As1 Li2 O2 C17 11.2(5) . . . . ? 
O1' Li2 O2 C17 -167.4(6) . . . . ? 
N2 Li2 O2 C17 -46.3(7) . . . . ? 
Li1 Li2 O2 C17 -156(2) . . . . ? 
N1 Li2 O2 C17 63.5(7) . . . . ? 
As1 Li2 O2 C17 8.8(6) 4_565 . . . ? 
Li2 Li2 O2 C17 -2.3 4_565 . . . ? 
C20 O2 C17 C18 23.7(16) . . . . ? 
Li2 O2 C17 C18 -140.8(13) . . . . ? 
O2 C17 C18 C19 -36.0(15) . . . . ? 
C17 C18 C19 C20 35.6(18) . . . . ? 
C17 O2 C20 C19 -1.0(17) . . . . ? 
Li2 O2 C20 C19 162.2(11) . . . . ? 
C18 C19 C20 O2 -21(2) . . . . ?