#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/71/4067145.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_4067145
loop_
_publ_author_name
'Bhadbhade, Mohan'
'Clentsmith, Guy K. B.'
'Field, Leslie D.'
_publ_section_title
;
 Sterically Hindered Diazabutadienes (DABs): Competing Reaction Pathways
 with MeLi
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              6509
_journal_paper_doi               10.1021/om100850p
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C17 H23 Br Li2 N O1.5'
_chemical_formula_weight         359.15
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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                 112.340(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3319(4)
_cell_length_b                   22.4980(10)
_cell_length_c                   10.1430(4)
_cell_measurement_reflns_used    6138
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.125
_cell_measurement_theta_min      2.352
_cell_volume                     1969.68(15)
_computing_cell_refinement       'APEX2 (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'APEX2 (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker kappa APEXII CCD Diffractometer'
_diffrn_measurement_method       'φ scans, and ω scans with κ offsets'
_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  0.0380
_diffrn_reflns_av_sigmaI/netI    0.0322
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            13930
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         2.83
_exptl_absorpt_coefficient_mu    2.088
_exptl_absorpt_correction_T_max  0.7672
_exptl_absorpt_correction_T_min  0.6128
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2001)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.211
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plates
_exptl_crystal_F_000             740
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.820
_refine_diff_density_min         -0.394
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     231
_refine_ls_number_reflns         3529
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0350
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0390P)²+2.3025P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0873
_refine_ls_wR_factor_ref         0.0930
_reflns_number_gt                2967
_reflns_number_total             3529
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om100850p_si_001.cif
_cod_data_source_block           guy21_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1969.68(14)
_cod_original_sg_symbol_H-M      P2(1)/m
_cod_original_formula_sum        'C17 H23 Br Li2 N O1.50'
_cod_database_code               4067145
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
C1 C 0.4898(3) 0.36906(12) 0.2545(3) 0.0225(6) Uani 1 1 d . 4
C2 C 0.6303(3) 0.44882(13) 0.4108(3) 0.0324(7) Uani 1 1 d . 4
H2 H 0.6992 0.4617 0.5021 0.039 Uiso 1 1 calc R 4
C3 C 0.4696(3) 0.47059(13) 0.1720(3) 0.0314(7) Uani 1 1 d . 4
H3 H 0.4287 0.4984 0.0964 0.038 Uiso 1 1 calc R 4
C4 C 0.4283(3) 0.41085(12) 0.1457(3) 0.0263(6) Uani 1 1 d . 4
C5 C 0.5957(3) 0.38848(12) 0.3889(3) 0.0270(6) Uani 1 1 d . 4
C6 C 0.5675(3) 0.49071(13) 0.3037(3) 0.0319(7) Uani 1 1 d . 4
C7 C 0.6075(4) 0.55602(14) 0.3331(4) 0.0450(8) Uani 1 1 d . 4
H7A H 0.5543 0.5791 0.2462 0.067 Uiso 1 1 calc R 4
H7B H 0.7197 0.5613 0.3635 0.067 Uiso 1 1 calc R 4
H7C H 0.5743 0.5698 0.4087 0.067 Uiso 1 1 calc R 4
C8 C 0.3170(4) 0.39160(14) 0.0000(3) 0.0385(7) Uani 1 1 d . 4
H8A H 0.2826 0.4265 -0.0619 0.058 Uiso 1 1 calc R 4
H8B H 0.2271 0.3721 0.0088 0.058 Uiso 1 1 calc R 4
H8C H 0.3690 0.3637 -0.0413 0.058 Uiso 1 1 calc R 4
Li5 Li 0.6204(7) 0.2500 0.2576(8) 0.0305(15) Uani 1 2 d S 4
Br2 Br -0.11925(5) 0.2500 0.27035(5) 0.03903(15) Uani 1 2 d S 4
C11 C 0.6733(4) 0.34510(14) 0.5069(3) 0.0364(7) Uani 1 1 d . 4
H11A H 0.7401 0.3667 0.5920 0.055 Uiso 1 1 calc R 4
H11B H 0.7361 0.3173 0.4772 0.055 Uiso 1 1 calc R 4
H11C H 0.5945 0.3230 0.5287 0.055 Uiso 1 1 calc R 4
N2 N 0.4544(2) 0.30753(9) 0.2300(2) 0.0212(5) Uani 1 1 d . 4
C15 C 0.3648(3) 0.28390(12) 0.2972(3) 0.0213(5) Uani 1 1 d . 4
C16 C 0.2840(3) 0.31544(13) 0.3612(3) 0.0278(6) Uani 1 1 d . 4
H16A H 0.2871 0.3577 0.3616 0.033 Uiso 1 1 calc R 4
H16B H 0.2247 0.2952 0.4053 0.033 Uiso 1 1 calc R 4
O1U O -0.0700(3) 0.39073(10) 0.1104(3) 0.0517(6) Uani 1 1 d . 4
C3U C -0.1735(5) 0.39408(19) -0.0467(5) 0.0756(14) Uani 1 1 d . 4
H3U1 H -0.1684 0.3556 -0.0919 0.091 Uiso 1 1 calc R 4
H3U2 H -0.2819 0.3998 -0.0551 0.091 Uiso 1 1 calc R 4
C2U C -0.1249(5) 0.4278(2) 0.1919(5) 0.0709(12) Uani 1 1 d . 4
H2U1 H -0.2218 0.4113 0.1951 0.085 Uiso 1 1 calc R 4
H2U2 H -0.1477 0.4678 0.1479 0.085 Uiso 1 1 calc R 4
Li3 Li 0.0439(5) 0.3171(2) 0.1752(5) 0.0340(11) Uani 1 1 d . 4
C1U C -0.0085(5) 0.4323(3) 0.3352(5) 0.0810(15) Uani 1 1 d . 4
H1U1 H 0.0905 0.4444 0.3308 0.121 Uiso 1 1 calc R 4
H1U2 H 0.0037 0.3936 0.3827 0.121 Uiso 1 1 calc R 4
H1U3 H -0.0410 0.4620 0.3890 0.121 Uiso 1 1 calc R 4
C4U C -0.1352(6) 0.4402(2) -0.1236(5) 0.0800(14) Uani 1 1 d . 4
H4U1 H -0.0315 0.4331 -0.1233 0.120 Uiso 1 1 calc R 4
H4U2 H -0.1370 0.4786 -0.0784 0.120 Uiso 1 1 calc R 4
H4U3 H -0.2109 0.4407 -0.2221 0.120 Uiso 1 1 calc R 4
Li7 Li 0.3438(8) 0.2500 0.0539(7) 0.0292(14) Uani 1 2 d S 4
Br1 Br 0.04630(4) 0.2500 -0.02192(4) 0.02812(13) Uani 1 2 d S 4
O1E O 0.3653(3) 0.2500 -0.1306(3) 0.0369(7) Uani 1 2 d S 1
C2E C 0.2357(6) 0.2500 -0.2659(5) 0.0613(16) Uani 1 2 d S 1
C1E C 0.1509(9) 0.2965(4) -0.3266(7) 0.0511(18) Uani 0.50 1 d P 1
C3E C 0.5100(8) 0.2740(3) -0.1407(8) 0.0457(17) Uani 0.50 1 d P 1
C4E C 0.5831(11) 0.2708(4) -0.1957(15) 0.109(5) Uani 0.50 1 d P 1
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'
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'
Br Br -0.2901 2.4595 '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
C4 C1 C5 118.7(2) . .
C4 C1 N2 121.2(2) . .
C5 C1 N2 120.0(2) . .
C6 C2 C5 122.2(3) . .
C6 C2 H2 118.9 . .
C5 C2 H2 118.9 . .
C6 C3 C4 122.4(3) . .
C6 C3 H3 118.8 . .
C4 C3 H3 118.8 . .
C3 C4 C1 119.8(3) . .
C3 C4 C8 120.0(3) . .
C1 C4 C8 120.2(3) . .
C2 C5 C1 119.3(3) . .
C2 C5 C11 119.6(3) . .
C1 C5 C11 121.1(2) . .
C3 C6 C2 117.6(3) . .
C3 C6 C7 122.2(3) . .
C2 C6 C7 120.3(3) . .
N2 Li5 N2 82.9(3) 4_565 .
N2 Li5 Br2 138.03(14) 4_565 1_655
N2 Li5 Br2 138.03(14) . 1_655
N2 Li5 Li7 53.01(18) 4_565 .
N2 Li5 Li7 53.01(18) . .
Br2 Li5 Li7 136.1(3) 1_655 .
N2 Li5 C15 29.54(13) 4_565 4_565
N2 Li5 C15 60.48(18) . 4_565
Br2 Li5 C15 160.11(19) 1_655 4_565
Li7 Li5 C15 56.75(19) . 4_565
N2 Li5 C15 60.48(18) 4_565 .
N2 Li5 C15 29.54(13) . .
Br2 Li5 C15 160.11(19) 1_655 .
Li7 Li5 C15 56.75(19) . .
C15 Li5 C15 33.12(14) 4_565 .
Li5 Br2 Li3 135.63(14) 1_455 .
Li5 Br2 Li3 135.63(14) 1_455 4_565
Li3 Br2 Li3 71.7(2) . 4_565
C15 N2 C1 115.8(2) . .
C15 N2 Li5 105.8(2) . .
C1 N2 Li5 120.0(2) . .
C15 N2 Li7 89.3(2) . .
C1 N2 Li7 138.1(2) . .
Li5 N2 Li7 79.8(2) . .
C16 C15 N2 125.9(3) . .
C16 C15 C15 121.31(17) . 4_565
N2 C15 C15 112.82(14) . 4_565
C16 C15 Li7 140.5(2) . .
N2 C15 Li7 57.68(17) . .
C15 C15 Li7 72.37(7) 4_565 .
C16 C15 Li5 154.7(2) . .
N2 C15 Li5 44.68(14) . .
C15 C15 Li5 73.44(7) 4_565 .
Li7 C15 Li5 60.6(2) . .
C15 C16 H16A 120.0 . .
C15 C16 H16B 120.0 . .
H16A C16 H16B 120.0 . .
C2U O1U C3U 111.1(3) . .
C2U O1U Li3 125.7(3) . .
C3U O1U Li3 116.4(3) . .
C4U C3U O1U 114.8(4) . .
C4U C3U H3U1 108.6 . .
O1U C3U H3U1 108.6 . .
C4U C3U H3U2 108.6 . .
O1U C3U H3U2 108.6 . .
H3U1 C3U H3U2 107.6 . .
O1U C2U C1U 109.3(3) . .
O1U C2U H2U1 109.8 . .
C1U C2U H2U1 109.8 . .
O1U C2U H2U2 109.8 . .
C1U C2U H2U2 109.8 . .
H2U1 C2U H2U2 108.3 . .
O1U Li3 Br1 114.3(2) . .
O1U Li3 Br2 107.5(2) . .
Br1 Li3 Br2 97.57(17) . .
O1U Li3 Li3 148.52(16) . 4_565
Br1 Li3 Li3 53.09(12) . 4_565
Br2 Li3 Li3 54.16(11) . 4_565
N2 Li7 N2 74.9(2) . 4_565
N2 Li7 C15 32.98(12) . .
N2 Li7 C15 61.92(18) 4_565 .
N2 Li7 C15 61.92(18) . 4_565
N2 Li7 C15 32.98(12) 4_565 4_565
C15 Li7 C15 35.25(15) . 4_565
N2 Li7 Br1 111.9(2) . .
N2 Li7 Br1 111.9(2) 4_565 .
C15 Li7 Br1 88.1(2) . .
C15 Li7 Br1 88.1(2) 4_565 .
N2 Li7 Li5 47.20(16) . .
N2 Li7 Li5 47.20(16) 4_565 .
C15 Li7 Li5 62.7(2) . .
C15 Li7 Li5 62.7(2) 4_565 .
Br1 Li7 Li5 149.2(3) . .
Li3 Br1 Li3 73.8(2) . 4_565
Li3 Br1 Li7 95.56(15) . .
Li3 Br1 Li7 95.56(15) 4_565 .
C2E O1E C3E 112.8(4) . .
C2E O1E C3E 112.8(4) . 4_565
C3E O1E C3E 42.5(6) . 4_565
C1E C2E C1E 105.4(7) 4_565 .
C1E C2E O1E 125.6(4) 4_565 .
C1E C2E O1E 125.6(4) . .
C4E C3E C3E 85.9(7) . 4_565
C4E C3E C4E 40.2(9) . 4_565
C3E C3E C4E 45.7(5) 4_565 4_565
C4E C3E O1E 144.0(9) . .
C3E C3E O1E 68.8(3) 4_565 .
C4E C3E O1E 110.2(6) 4_565 .
C4E C4E C3E 94.1(7) 4_565 .
C4E C4E C3E 45.7(5) 4_565 4_565
C3E C4E C3E 48.4(7) . 4_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C4 1.397(4) .
C1 C5 1.414(4) .
C1 N2 1.423(3) .
C2 C6 1.388(4) .
C2 C5 1.394(4) .
C2 H2 0.9500 .
C3 C6 1.377(4) .
C3 C4 1.396(4) .
C3 H3 0.9500 .
C4 C8 1.511(4) .
C5 C11 1.501(4) .
C6 C7 1.517(4) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
Li5 N2 1.955(5) 4_565
Li5 N2 1.955(5) .
Li5 Br2 2.383(6) 1_655
Li5 Li7 2.623(9) .
Li5 C15 2.676(6) 4_565
Li5 C15 2.676(6) .
Br2 Li5 2.383(6) 1_455
Br2 Li3 2.577(5) .
Br2 Li3 2.577(5) 4_565
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
N2 C15 1.371(3) .
N2 Li7 2.129(6) .
C15 C16 1.366(4) .
C15 C15 1.525(5) 4_565
C15 Li7 2.519(7) .
C16 H16A 0.9500 .
C16 H16B 0.9500 .
O1U C2U 1.401(5) .
O1U C3U 1.519(5) .
O1U Li3 1.944(5) .
C3U C4U 1.423(7) .
C3U H3U1 0.9900 .
C3U H3U2 0.9900 .
C2U C1U 1.450(6) .
C2U H2U1 0.9900 .
C2U H2U2 0.9900 .
Li3 Br1 2.512(5) .
Li3 Li3 3.018(10) 4_565
C1U H1U1 0.9800 .
C1U H1U2 0.9800 .
C1U H1U3 0.9800 .
C4U H4U1 0.9800 .
C4U H4U2 0.9800 .
C4U H4U3 0.9800 .
Li7 N2 2.129(6) 4_565
Li7 C15 2.519(7) 4_565
Li7 Br1 2.584(7) .
Br1 Li3 2.512(5) 4_565
O1E C2E 1.444(6) .
O1E C3E 1.494(7) .
O1E C3E 1.494(7) 4_565
C2E C1E 1.315(8) 4_565
C2E C1E 1.315(8) .
C3E C4E 1.034(11) .
C3E C3E 1.082(14) 4_565
C3E C4E 1.442(10) 4_565
C4E C4E 0.93(2) 4_565
C4E C3E 1.442(10) 4_565
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_4
C6 C3 C4 C1 -1.5(4) . .
C6 C3 C4 C8 178.4(3) . .
C5 C1 C4 C3 -1.2(4) . .
N2 C1 C4 C3 -177.8(2) . .
C5 C1 C4 C8 179.0(2) . .
N2 C1 C4 C8 2.4(4) . .
C6 C2 C5 C1 -1.8(4) . .
C6 C2 C5 C11 177.1(3) . .
C4 C1 C5 C2 2.8(4) . .
N2 C1 C5 C2 179.4(2) . .
C4 C1 C5 C11 -176.1(3) . .
N2 C1 C5 C11 0.6(4) . .
C4 C3 C6 C2 2.5(4) . .
C4 C3 C6 C7 -177.8(3) . .
C5 C2 C6 C3 -0.8(4) . .
C5 C2 C6 C7 179.4(3) . .
C4 C1 N2 C15 -111.5(3) . .
C5 C1 N2 C15 71.9(3) . .
C4 C1 N2 Li5 119.5(3) . .
C5 C1 N2 Li5 -57.0(4) . .
C4 C1 N2 Li7 9.8(5) . .
C5 C1 N2 Li7 -166.7(3) . .
N2 Li5 N2 C15 38.1(3) 4_565 .
Br2 Li5 N2 C15 -152.9(5) 1_655 .
Li7 Li5 N2 C15 86.4(2) . .
C15 Li5 N2 C15 17.63(15) 4_565 .
N2 Li5 N2 C1 171.40(16) 4_565 .
Br2 Li5 N2 C1 -19.6(6) 1_655 .
Li7 Li5 N2 C1 -140.3(3) . .
C15 Li5 N2 C1 150.9(2) 4_565 .
C15 Li5 N2 C1 133.3(3) . .
N2 Li5 N2 Li7 -48.3(2) 4_565 .
Br2 Li5 N2 Li7 120.7(5) 1_655 .
C15 Li5 N2 Li7 -68.76(17) 4_565 .
C15 Li5 N2 Li7 -86.4(2) . .
C1 N2 C15 C16 13.2(4) . .
Li5 N2 C15 C16 148.8(3) . .
Li7 N2 C15 C16 -132.0(3) . .
C1 N2 C15 C15 -165.68(16) . 4_565
Li5 N2 C15 C15 -30.1(2) . 4_565
Li7 N2 C15 C15 49.09(16) . 4_565
C1 N2 C15 Li7 145.2(3) . .
Li5 N2 C15 Li7 -79.2(3) . .
C1 N2 C15 Li5 -135.6(3) . .
Li7 N2 C15 Li5 79.2(3) . .
N2 Li5 C15 C16 145.6(5) 4_565 .
N2 Li5 C15 C16 -79.1(6) . .
Br2 Li5 C15 C16 -15.5(12) 1_655 .
Li7 Li5 C15 C16 -151.5(5) . .
C15 Li5 C15 C16 129.7(5) 4_565 .
N2 Li5 C15 N2 -135.3(4) 4_565 .
Br2 Li5 C15 N2 63.6(7) 1_655 .
Li7 Li5 C15 N2 -72.4(2) . .
C15 Li5 C15 N2 -151.2(2) 4_565 .
N2 Li5 C15 C15 15.86(14) 4_565 4_565
N2 Li5 C15 C15 151.2(2) . 4_565
Br2 Li5 C15 C15 -145.2(8) 1_655 4_565
Li7 Li5 C15 C15 78.76(8) . 4_565
N2 Li5 C15 Li7 -62.90(16) 4_565 .
N2 Li5 C15 Li7 72.4(2) . .
Br2 Li5 C15 Li7 136.0(8) 1_655 .
C15 Li5 C15 Li7 -78.76(8) 4_565 .
C2U O1U C3U C4U 87.5(5) . .
Li3 O1U C3U C4U -119.6(4) . .
C3U O1U C2U C1U -169.0(4) . .
Li3 O1U C2U C1U 41.1(5) . .
C2U O1U Li3 Br1 161.7(3) . .
C3U O1U Li3 Br1 13.3(4) . .
C2U O1U Li3 Br2 54.6(4) . .
C3U O1U Li3 Br2 -93.8(3) . .
C2U O1U Li3 Li3 103.3(4) . 4_565
C3U O1U Li3 Li3 -45.1(4) . 4_565
Li5 Br2 Li3 O1U 13.5(4) 1_455 .
Li3 Br2 Li3 O1U 151.04(15) 4_565 .
Li5 Br2 Li3 Br1 -105.1(3) 1_455 .
Li3 Br2 Li3 Br1 32.51(19) 4_565 .
Li5 Br2 Li3 Li3 -137.6(3) 1_455 4_565
C15 N2 Li7 N2 -61.3(2) . 4_565
C1 N2 Li7 N2 168.9(2) . 4_565
Li5 N2 Li7 N2 44.8(2) . 4_565
C1 N2 Li7 C15 -129.8(4) . .
Li5 N2 Li7 C15 106.2(2) . .
C15 N2 Li7 C15 -28.56(14) . 4_565
C1 N2 Li7 C15 -158.3(3) . 4_565
Li5 N2 Li7 C15 77.60(19) . 4_565
C15 N2 Li7 Br1 46.6(2) . .
C1 N2 Li7 Br1 -83.2(4) . .
Li5 N2 Li7 Br1 152.8(2) . .
C15 N2 Li7 Li5 -106.2(2) . .
C1 N2 Li7 Li5 124.1(3) . .
C16 C15 Li7 N2 108.8(4) . .
C15 C15 Li7 N2 -133.04(17) 4_565 .
Li5 C15 Li7 N2 -52.48(16) . .
C16 C15 Li7 N2 -145.0(3) . 4_565
N2 C15 Li7 N2 106.2(3) . 4_565
C15 C15 Li7 N2 -26.80(10) 4_565 4_565
Li5 C15 Li7 N2 53.76(13) . 4_565
C16 C15 Li7 C15 -118.2(3) . 4_565
N2 C15 Li7 C15 133.04(17) . 4_565
Li5 C15 Li7 C15 80.56(8) . 4_565
C16 C15 Li7 Br1 -28.8(3) . .
N2 C15 Li7 Br1 -137.58(16) . .
C15 C15 Li7 Br1 89.38(6) 4_565 .
Li5 C15 Li7 Br1 169.94(9) . .
C16 C15 Li7 Li5 161.3(3) . .
N2 C15 Li7 Li5 52.48(16) . .
C15 C15 Li7 Li5 -80.56(8) 4_565 .
N2 Li5 Li7 N2 111.9(3) 4_565 .
Br2 Li5 Li7 N2 -124.03(16) 1_655 .
C15 Li5 Li7 N2 75.9(2) 4_565 .
C15 Li5 Li7 N2 36.04(14) . .
N2 Li5 Li7 N2 -111.9(3) . 4_565
Br2 Li5 Li7 N2 124.03(16) 1_655 4_565
C15 Li5 Li7 N2 -36.04(14) 4_565 4_565
C15 Li5 Li7 N2 -75.9(2) . 4_565
N2 Li5 Li7 C15 75.9(2) 4_565 .
N2 Li5 Li7 C15 -36.04(14) . .
Br2 Li5 Li7 C15 -160.08(8) 1_655 .
C15 Li5 Li7 C15 39.85(16) 4_565 .
N2 Li5 Li7 C15 36.04(14) 4_565 4_565
N2 Li5 Li7 C15 -75.9(2) . 4_565
Br2 Li5 Li7 C15 160.08(8) 1_655 4_565
C15 Li5 Li7 C15 -39.85(16) . 4_565
N2 Li5 Li7 Br1 55.97(16) 4_565 .
N2 Li5 Li7 Br1 -55.97(16) . .
Br2 Li5 Li7 Br1 180.0 1_655 .
C15 Li5 Li7 Br1 19.92(8) 4_565 .
C15 Li5 Li7 Br1 -19.92(8) . .
O1U Li3 Br1 Li3 -146.20(17) . 4_565
Br2 Li3 Br1 Li3 -33.02(19) . 4_565
O1U Li3 Br1 Li7 119.6(2) . .
Br2 Li3 Br1 Li7 -127.21(14) . .
Li3 Li3 Br1 Li7 -94.20(12) 4_565 .
N2 Li7 Br1 Li3 -3.8(2) . .
N2 Li7 Br1 Li3 78.1(2) 4_565 .
C15 Li7 Br1 Li3 19.48(14) . .
C15 Li7 Br1 Li3 54.75(14) 4_565 .
Li5 Li7 Br1 Li3 37.12(12) . .
N2 Li7 Br1 Li3 -78.1(2) . 4_565
N2 Li7 Br1 Li3 3.8(2) 4_565 4_565
C15 Li7 Br1 Li3 -54.75(14) . 4_565
C15 Li7 Br1 Li3 -19.48(14) 4_565 4_565
Li5 Li7 Br1 Li3 -37.12(12) . 4_565
C3E O1E C2E C1E 124.9(6) . 4_565
C3E O1E C2E C1E 78.7(7) 4_565 4_565
C3E O1E C2E C1E -78.7(7) . .
C3E O1E C2E C1E -124.9(6) 4_565 .
C2E O1E C3E C4E -51.1(16) . .
C3E O1E C3E C4E 48.3(16) 4_565 .
C2E O1E C3E C3E -99.4(2) . 4_565
C2E O1E C3E C4E -79.8(8) . 4_565
C3E O1E C3E C4E 19.6(8) 4_565 4_565
C3E C3E C4E C4E 0.000(2) 4_565 4_565
O1E C3E C4E C4E -44.2(14) . 4_565
C4E C3E C4E C3E 0.000(2) 4_565 4_565
O1E C3E C4E C3E -44.2(14) . 4_565
