#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/30/7013098.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_7013098
loop_
_publ_author_name
'Copsey, May C.'
'Jeffery, John C.'
'Leedham, Angela P.'
'Russell, Christopher A.'
'Slattery, John M.'
_publ_section_title
;
 A bis(imido)organoarsenate dianion incorporating n-butyllithium
;
_journal_issue                   11
_journal_name_full               'Dalton Transactions'
_journal_page_first              2103
_journal_paper_doi               10.1039/b304307j
_journal_year                    2003
_chemical_formula_sum            'C64 H72 As2 Li6 N4 O4'
_chemical_formula_weight         1150.74
_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                 95.78(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.996(2)
_cell_length_b                   21.075(4)
_cell_length_c                   12.603(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2905.8(10)
_computing_cell_refinement       SHELXTL
_computing_data_collection       'Bruker smart'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0530
_diffrn_reflns_av_sigmaI/netI    0.0963
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            20448
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    1.201
_exptl_absorpt_correction_T_max  0.79
_exptl_absorpt_correction_T_min  0.89
_exptl_absorpt_correction_type   'Empirical sadabs'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.317
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1200
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.785
_refine_diff_density_min         -0.546
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.852
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         6664
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.852
_refine_ls_R_factor_all          0.0712
_refine_ls_R_factor_gt           0.0422
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0218P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0700
_refine_ls_wR_factor_ref         0.0757
_reflns_number_gt                4469
_reflns_number_total             6664
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b304307j.txt
_cod_data_source_block           phenoxym
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7013098
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
As1 As 0.65810(3) 0.916724(13) 0.61189(2) 0.01762(8) Uani 1 1 d . . .
N1 N 0.5892(2) 0.99143(9) 0.66017(16) 0.0185(5) Uani 1 1 d . . .
N2 N 0.50886(19) 0.90066(9) 0.53007(16) 0.0169(5) Uani 1 1 d . . .
Li1 Li 0.4419(4) 1.0510(2) 0.6052(4) 0.0235(11) Uani 1 1 d . . .
Li3 Li 0.3513(4) 0.9530(2) 0.4698(4) 0.0230(11) Uani 1 1 d . . .
Li2 Li 0.4307(4) 0.9424(2) 0.6539(4) 0.0251(11) Uani 1 1 d . . .
C1 C 0.6426(2) 0.85795(12) 0.7337(2) 0.0218(6) Uani 1 1 d . . .
H1A H 0.6668 0.8159 0.7129 0.026 Uiso 1 1 calc R . .
H1B H 0.6999 0.8713 0.7930 0.026 Uiso 1 1 calc R . .
C2 C 0.5167(2) 0.85334(12) 0.7725(2) 0.0237(7) Uani 1 1 d . . .
H2A H 0.4574 0.8456 0.7115 0.028 Uiso 1 1 calc R . .
H2B H 0.4970 0.8939 0.8028 0.028 Uiso 1 1 calc R . .
C3 C 0.5032(3) 0.80187(13) 0.8549(2) 0.0311(7) Uani 1 1 d . . .
H3A H 0.5571 0.8110 0.9188 0.037 Uiso 1 1 calc R . .
H3B H 0.5271 0.7613 0.8271 0.037 Uiso 1 1 calc R . .
C4 C 0.3720(3) 0.79794(15) 0.8829(2) 0.0404(9) Uani 1 1 d . . .
H4A H 0.3485 0.8380 0.9109 0.061 Uiso 1 1 calc R . .
H4B H 0.3658 0.7654 0.9354 0.061 Uiso 1 1 calc R . .
H4C H 0.3188 0.7879 0.8199 0.061 Uiso 1 1 calc R . .
C5 C 0.2729(3) 0.99803(13) 0.6037(2) 0.0204(6) Uani 1 1 d . . .
H50 H 0.209(2) 0.9892(12) 0.549(2) 0.028(8) Uiso 1 1 d . . .
H51 H 0.257(2) 1.0394(13) 0.620(2) 0.033(8) Uiso 1 1 d . . .
C6 C 0.2379(2) 0.96164(12) 0.7026(2) 0.0225(6) Uani 1 1 d . . .
H6A H 0.2443 0.9166 0.6883 0.027 Uiso 1 1 calc R . .
H6B H 0.2983 0.9715 0.7617 0.027 Uiso 1 1 calc R . .
C7 C 0.1135(3) 0.97377(13) 0.7383(2) 0.0273(7) Uani 1 1 d . . .
H7A H 0.0516 0.9632 0.6807 0.033 Uiso 1 1 calc R . .
H7B H 0.1057 1.0186 0.7539 0.033 Uiso 1 1 calc R . .
C8 C 0.0911(3) 0.93529(13) 0.8367(2) 0.0361(8) Uani 1 1 d . . .
H8A H 0.0972 0.8909 0.8212 0.054 Uiso 1 1 calc R . .
H8B H 0.0109 0.9444 0.8565 0.054 Uiso 1 1 calc R . .
H8C H 0.1510 0.9463 0.8944 0.054 Uiso 1 1 calc R . .
O1 O 0.48474(17) 1.09370(8) 0.74387(13) 0.0243(4) Uani 1 1 d . . .
C10 C 0.6599(2) 1.02667(12) 0.7368(2) 0.0193(6) Uani 1 1 d . . .
C11 C 0.6070(2) 1.08051(13) 0.7810(2) 0.0231(6) Uani 1 1 d . . .
C12 C 0.6723(3) 1.12211(14) 0.8484(2) 0.0328(8) Uani 1 1 d . . .
H12 H 0.6344 1.1580 0.8728 0.039 Uiso 1 1 calc R . .
C13 C 0.7944(3) 1.11068(15) 0.8800(2) 0.0366(8) Uani 1 1 d . . .
H13 H 0.8388 1.1385 0.9263 0.044 Uiso 1 1 calc R . .
C14 C 0.8493(3) 1.05832(14) 0.8427(2) 0.0316(7) Uani 1 1 d . . .
H14 H 0.9312 1.0502 0.8645 0.038 Uiso 1 1 calc R . .
C15 C 0.7841(3) 1.01707(13) 0.7727(2) 0.0236(7) Uani 1 1 d . . .
H15 H 0.8238 0.9817 0.7485 0.028 Uiso 1 1 calc R . .
C16 C 0.4000(3) 1.09894(12) 0.8185(2) 0.0249(7) Uani 1 1 d . . .
C17 C 0.4121(3) 1.06413(14) 0.9115(2) 0.0379(8) Uani 1 1 d . . .
H17 H 0.4806 1.0389 0.9293 0.045 Uiso 1 1 calc R . .
C18 C 0.3193(4) 1.06782(17) 0.9776(3) 0.0505(11) Uani 1 1 d . . .
H18 H 0.3252 1.0445 1.0406 0.061 Uiso 1 1 calc R . .
C19 C 0.2198(3) 1.10495(18) 0.9519(3) 0.0521(11) Uani 1 1 d . . .
H19 H 0.1585 1.1069 0.9974 0.062 Uiso 1 1 calc R . .
C20 C 0.2089(3) 1.13960(15) 0.8593(3) 0.0455(9) Uani 1 1 d . . .
H20 H 0.1406 1.1650 0.8422 0.055 Uiso 1 1 calc R . .
C21 C 0.3007(3) 1.13642(13) 0.7912(2) 0.0340(8) Uani 1 1 d . . .
H21 H 0.2944 1.1595 0.7280 0.041 Uiso 1 1 calc R . .
O2 O 0.28233(16) 0.86733(8) 0.44337(14) 0.0206(4) Uani 1 1 d . . .
C28 C 0.4929(2) 0.84043(12) 0.48500(19) 0.0168(6) Uani 1 1 d . . .
C33 C 0.5853(2) 0.79513(12) 0.4760(2) 0.0211(6) Uani 1 1 d . . .
H33 H 0.6644 0.8037 0.5059 0.025 Uiso 1 1 calc R . .
C32 C 0.5610(3) 0.73786(12) 0.4234(2) 0.0241(7) Uani 1 1 d . . .
H32 H 0.6241 0.7090 0.4181 0.029 Uiso 1 1 calc R . .
C31 C 0.4447(3) 0.72311(13) 0.3788(2) 0.0241(7) Uani 1 1 d . . .
H31 H 0.4292 0.6847 0.3437 0.029 Uiso 1 1 calc R . .
C30 C 0.3518(3) 0.76632(12) 0.3870(2) 0.0238(6) Uani 1 1 d . . .
H30 H 0.2730 0.7573 0.3569 0.029 Uiso 1 1 calc R . .
C29 C 0.3759(2) 0.82225(12) 0.4395(2) 0.0188(6) Uani 1 1 d . . .
C22 C 0.1766(2) 0.84869(12) 0.4885(2) 0.0203(6) Uani 1 1 d . . .
C23 C 0.1795(3) 0.80377(12) 0.5680(2) 0.0242(7) Uani 1 1 d . . .
H23 H 0.2511 0.7818 0.5897 0.029 Uiso 1 1 calc R . .
C24 C 0.0730(3) 0.79205(13) 0.6150(2) 0.0265(7) Uani 1 1 d . . .
H24 H 0.0726 0.7616 0.6683 0.032 Uiso 1 1 calc R . .
C25 C -0.0314(3) 0.82499(13) 0.5833(2) 0.0301(7) Uani 1 1 d . . .
H25 H -0.1017 0.8177 0.6167 0.036 Uiso 1 1 calc R . .
C26 C -0.0331(3) 0.86879(13) 0.5025(2) 0.0308(7) Uani 1 1 d . . .
H26 H -0.1050 0.8904 0.4805 0.037 Uiso 1 1 calc R . .
C27 C 0.0710(3) 0.88086(13) 0.4540(2) 0.0255(7) Uani 1 1 d . . .
H27 H 0.0701 0.9102 0.3989 0.031 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
Li Li -0.0003 0.0001 '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'
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
N1 As1 N2 88.30(9) . . ?
N1 As1 C1 101.72(10) . . ?
N2 As1 C1 99.95(10) . . ?
N1 As1 Li2 49.23(12) . . ?
N2 As1 Li2 50.21(12) . . ?
C1 As1 Li2 79.49(13) . . ?
N1 As1 Li1 88.98(11) . 3_676 ?
N2 As1 Li1 45.82(11) . 3_676 ?
C1 As1 Li1 144.27(12) . 3_676 ?
Li2 As1 Li1 82.35(14) . 3_676 ?
N1 As1 Li3 47.64(10) . 3_676 ?
N2 As1 Li3 88.75(11) . 3_676 ?
C1 As1 Li3 148.22(12) . 3_676 ?
Li2 As1 Li3 83.07(13) . 3_676 ?
Li1 As1 Li3 57.10(13) 3_676 3_676 ?
C10 N1 As1 117.21(17) . . ?
C10 N1 Li2 136.0(2) . . ?
As1 N1 Li2 86.14(15) . . ?
C10 N1 Li1 105.5(2) . . ?
As1 N1 Li1 135.62(17) . . ?
Li2 N1 Li1 70.20(19) . . ?
C10 N1 Li3 92.62(19) . 3_676 ?
As1 N1 Li3 92.64(14) . 3_676 ?
Li2 N1 Li3 124.9(2) . 3_676 ?
Li1 N1 Li3 73.18(18) . 3_676 ?
C28 N2 As1 117.05(17) . . ?
C28 N2 Li2 130.8(2) . . ?
As1 N2 Li2 85.13(16) . . ?
C28 N2 Li1 98.22(19) . 3_676 ?
As1 N2 Li1 94.33(16) . 3_676 ?
Li2 N2 Li1 124.8(2) . 3_676 ?
C28 N2 Li3 105.1(2) . . ?
As1 N2 Li3 137.51(16) . . ?
Li2 N2 Li3 70.22(19) . . ?
Li1 N2 Li3 74.15(19) 3_676 . ?
O1 Li1 N2 115.9(2) . 3_676 ?
O1 Li1 N1 82.76(19) . . ?
N2 Li1 N1 107.6(2) 3_676 . ?
O1 Li1 C5 111.7(2) . . ?
N2 Li1 C5 122.2(2) 3_676 . ?
N1 Li1 C5 109.0(2) . . ?
O1 Li1 Li2 102.9(2) . . ?
N2 Li1 Li2 134.5(2) 3_676 . ?
N1 Li1 Li2 53.14(16) . . ?
C5 Li1 Li2 55.89(17) . . ?
O1 Li1 Li3 101.5(2) . 3_676 ?
N2 Li1 Li3 53.38(15) 3_676 3_676 ?
N1 Li1 Li3 54.45(16) . 3_676 ?
C5 Li1 Li3 140.9(2) . 3_676 ?
Li2 Li1 Li3 97.8(2) . 3_676 ?
O1 Li1 C28 86.35(17) . 3_676 ?
N2 Li1 C28 30.94(9) 3_676 3_676 ?
N1 Li1 C28 114.6(2) . 3_676 ?
C5 Li1 C28 134.5(2) . 3_676 ?
Li2 Li1 C28 162.4(2) . 3_676 ?
Li3 Li1 C28 65.46(15) 3_676 3_676 ?
O1 Li1 C11 28.31(10) . . ?
N2 Li1 C11 109.6(2) 3_676 . ?
N1 Li1 C11 56.99(14) . . ?
C5 Li1 C11 127.7(2) . . ?
Li2 Li1 C11 93.2(2) . . ?
Li3 Li1 C11 76.60(18) 3_676 . ?
C28 Li1 C11 88.05(16) 3_676 . ?
O1 Li1 Li3 155.8(2) . . ?
N2 Li1 Li3 88.19(19) 3_676 . ?
N1 Li1 Li3 88.59(18) . . ?
C5 Li1 Li3 50.33(15) . . ?
Li2 Li1 Li3 54.68(18) . . ?
Li3 Li1 Li3 91.49(19) 3_676 . ?
C28 Li1 Li3 117.72(19) 3_676 . ?
C11 Li1 Li3 144.3(2) . . ?
O1 Li1 As1 138.9(2) . 3_676 ?
N2 Li1 As1 39.84(10) 3_676 3_676 ?
N1 Li1 As1 130.49(19) . 3_676 ?
C5 Li1 As1 82.55(17) . 3_676 ?
Li2 Li1 As1 116.2(2) . 3_676 ?
Li3 Li1 As1 85.77(17) 3_676 3_676 ?
C28 Li1 As1 59.80(11) 3_676 3_676 ?
C11 Li1 As1 147.62(18) . 3_676 ?
Li3 Li1 As1 61.58(13) . 3_676 ?
O2 Li3 N2 82.64(18) . . ?
O2 Li3 N1 120.5(2) . 3_676 ?
N2 Li3 N1 104.6(2) . 3_676 ?
O2 Li3 C5 110.7(2) . . ?
N2 Li3 C5 108.6(2) . . ?
N1 Li3 C5 121.4(2) 3_676 . ?
O2 Li3 Li2 100.0(2) . . ?
N2 Li3 Li2 53.44(16) . . ?
N1 Li3 Li2 132.1(2) 3_676 . ?
C5 Li3 Li2 55.20(17) . . ?
O2 Li3 Li1 104.4(2) . 3_676 ?
N2 Li3 Li1 52.48(15) . 3_676 ?
N1 Li3 Li1 52.37(15) 3_676 3_676 ?
C5 Li3 Li1 137.3(3) . 3_676 ?
Li2 Li3 Li1 96.0(2) . 3_676 ?
O2 Li3 C10 90.19(18) . 3_676 ?
N2 Li3 C10 113.15(19) . 3_676 ?
N1 Li3 C10 31.92(10) 3_676 3_676 ?
C5 Li3 C10 135.2(2) . 3_676 ?
Li2 Li3 C10 161.2(2) . 3_676 ?
Li1 Li3 C10 65.99(16) 3_676 3_676 ?
O2 Li3 Li1 152.3(2) . . ?
N2 Li3 Li1 86.42(19) . . ?
N1 Li3 Li1 86.88(18) 3_676 . ?
C5 Li3 Li1 49.66(15) . . ?
Li2 Li3 Li1 53.71(17) . . ?
Li1 Li3 Li1 88.51(19) 3_676 . ?
C10 Li3 Li1 117.48(19) 3_676 . ?
O2 Li3 As1 143.0(2) . 3_676 ?
N2 Li3 As1 127.5(2) . 3_676 ?
N1 Li3 As1 39.72(9) 3_676 3_676 ?
C5 Li3 As1 82.03(15) . 3_676 ?
Li2 Li3 As1 114.98(19) . 3_676 ?
Li1 Li3 As1 84.35(16) 3_676 3_676 ?
C10 Li3 As1 60.18(11) 3_676 3_676 ?
Li1 Li3 As1 61.32(13) . 3_676 ?
N1 Li2 N2 79.82(18) . . ?
N1 Li2 C5 113.7(2) . . ?
N2 Li2 C5 113.5(2) . . ?
N1 Li2 C6 135.5(2) . . ?
N2 Li2 C6 138.2(3) . . ?
C5 Li2 C6 40.52(12) . . ?
N1 Li2 Li1 56.66(17) . . ?
N2 Li2 Li1 100.3(2) . . ?
C5 Li2 Li1 57.05(17) . . ?
C6 Li2 Li1 88.4(2) . . ?
N1 Li2 Li3 102.6(2) . . ?
N2 Li2 Li3 56.34(17) . . ?
C5 Li2 Li3 57.19(18) . . ?
C6 Li2 Li3 89.2(2) . . ?
Li1 Li2 Li3 71.6(2) . . ?
N1 Li2 C2 95.0(2) . . ?
N2 Li2 C2 88.36(18) . . ?
C5 Li2 C2 146.0(2) . . ?
C6 Li2 C2 105.90(19) . . ?
Li1 Li2 C2 147.5(3) . . ?
Li3 Li2 C2 135.9(2) . . ?
N1 Li2 As1 44.63(11) . . ?
N2 Li2 As1 44.66(11) . . ?
C5 Li2 As1 143.4(2) . . ?
C6 Li2 As1 175.8(2) . . ?
Li1 Li2 As1 94.01(19) . . ?
Li3 Li2 As1 94.81(19) . . ?
C2 Li2 As1 70.34(13) . . ?
C2 C1 As1 116.10(18) . . ?
C1 C2 C3 114.9(2) . . ?
C1 C2 Li2 93.50(18) . . ?
C3 C2 Li2 151.6(2) . . ?
C2 C3 C4 110.9(2) . . ?
C6 C5 Li2 75.5(2) . . ?
C6 C5 Li1 122.1(2) . . ?
Li2 C5 Li1 67.06(19) . . ?
C6 C5 Li3 123.8(2) . . ?
Li2 C5 Li3 67.61(19) . . ?
Li1 C5 Li3 80.01(19) . . ?
C7 C6 C5 117.7(2) . . ?
C7 C6 Li2 178.0(2) . . ?
C5 C6 Li2 63.99(18) . . ?
C6 C7 C8 112.3(2) . . ?
C16 O1 C11 118.2(2) . . ?
C16 O1 Li1 121.1(2) . . ?
C11 O1 Li1 109.8(2) . . ?
N1 C10 C15 127.0(2) . . ?
N1 C10 C11 118.5(2) . . ?
C15 C10 C11 114.4(2) . . ?
N1 C10 Li3 55.46(16) . 3_676 ?
C15 C10 Li3 106.78(19) . 3_676 ?
C11 C10 Li3 106.17(19) . 3_676 ?
C12 C11 O1 120.2(3) . . ?
C12 C11 C10 123.0(3) . . ?
O1 C11 C10 116.5(2) . . ?
C12 C11 Li1 153.2(2) . . ?
O1 C11 Li1 41.92(14) . . ?
C10 C11 Li1 76.68(19) . . ?
C11 C12 C13 120.0(3) . . ?
C14 C13 C12 119.5(3) . . ?
C13 C14 C15 120.5(3) . . ?
C14 C15 C10 122.5(3) . . ?
C21 C16 C17 121.9(3) . . ?
C21 C16 O1 116.7(3) . . ?
C17 C16 O1 121.2(3) . . ?
C16 C17 C18 118.0(3) . . ?
C19 C18 C17 120.9(3) . . ?
C18 C19 C20 120.7(3) . . ?
C19 C20 C21 119.5(3) . . ?
C16 C21 C20 119.0(3) . . ?
C22 O2 C29 117.72(19) . . ?
C22 O2 Li3 120.56(19) . . ?
C29 O2 Li3 110.7(2) . . ?
N2 C28 C33 126.0(2) . . ?
N2 C28 C29 119.1(2) . . ?
C33 C28 C29 114.8(2) . . ?
N2 C28 Li1 50.84(15) . 3_676 ?
C33 C28 Li1 108.55(19) . 3_676 ?
C29 C28 Li1 109.4(2) . 3_676 ?
C32 C33 C28 121.4(3) . . ?
C31 C32 C33 121.1(3) . . ?
C32 C31 C30 118.9(3) . . ?
C29 C30 C31 119.8(3) . . ?
C30 C29 O2 119.6(3) . . ?
C30 C29 C28 123.9(3) . . ?
O2 C29 C28 116.4(2) . . ?
C23 C22 C27 121.7(3) . . ?
C23 C22 O2 122.0(2) . . ?
C27 C22 O2 116.2(2) . . ?
C22 C23 C24 118.3(3) . . ?
C25 C24 C23 120.4(3) . . ?
C24 C25 C26 120.5(3) . . ?
C25 C26 C27 120.3(3) . . ?
C26 C27 C22 118.8(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 1.875(2) . ?
As1 N2 1.879(2) . ?
As1 C1 1.993(2) . ?
As1 Li2 2.663(5) . ?
As1 Li1 2.924(5) 3_676 ?
As1 Li3 2.931(4) 3_676 ?
N1 C10 1.392(3) . ?
N1 Li2 2.022(5) . ?
N1 Li1 2.111(5) . ?
N1 Li3 2.168(5) 3_676 ?
N2 C28 1.395(3) . ?
N2 Li2 2.054(5) . ?
N2 Li1 2.103(5) 3_676 ?
N2 Li3 2.128(5) . ?
Li1 O1 1.980(5) . ?
Li1 N2 2.103(5) 3_676 ?
Li1 C5 2.166(5) . ?
Li1 Li2 2.377(6) . ?
Li1 Li3 2.551(6) 3_676 ?
Li1 C28 2.685(5) 3_676 ?
Li1 C11 2.789(6) . ?
Li1 Li3 2.798(6) . ?
Li1 As1 2.924(5) 3_676 ?
Li3 O2 1.973(5) . ?
Li3 N1 2.168(5) 3_676 ?
Li3 C5 2.187(5) . ?
Li3 Li2 2.406(7) . ?
Li3 Li1 2.551(6) 3_676 ?
Li3 C10 2.629(5) 3_676 ?
Li3 As1 2.931(4) 3_676 ?
Li2 C5 2.137(5) . ?
Li2 C6 2.302(5) . ?
Li2 C2 2.522(5) . ?
C1 C2 1.517(3) . ?
C2 C3 1.520(3) . ?
C3 C4 1.522(4) . ?
C5 C6 1.545(3) . ?
C6 C7 1.504(3) . ?
C7 C8 1.523(3) . ?
O1 C16 1.393(3) . ?
O1 C11 1.405(3) . ?
C10 C15 1.409(4) . ?
C10 C11 1.415(3) . ?
C10 Li3 2.629(5) 3_676 ?
C11 C12 1.372(4) . ?
C12 C13 1.383(4) . ?
C13 C14 1.364(4) . ?
C14 C15 1.386(4) . ?
C16 C21 1.364(4) . ?
C16 C17 1.378(4) . ?
C17 C18 1.383(4) . ?
C18 C19 1.358(5) . ?
C19 C20 1.371(5) . ?
C20 C21 1.391(4) . ?
O2 C22 1.401(3) . ?
O2 C29 1.405(3) . ?
C28 C33 1.407(3) . ?
C28 C29 1.407(4) . ?
C28 Li1 2.685(5) 3_676 ?
C33 C32 1.390(3) . ?
C32 C31 1.379(4) . ?
C31 C30 1.381(3) . ?
C30 C29 1.364(3) . ?
C22 C23 1.377(3) . ?
C22 C27 1.377(4) . ?
C23 C24 1.386(4) . ?
C24 C25 1.366(4) . ?
C25 C26 1.373(4) . ?
C26 C27 1.374(4) . ?
