#------------------------------------------------------------------------------
#$Date: 2021-10-06 18:32:06 +0300 (Wed, 06 Oct 2021) $
#$Revision: 269704 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/81/7708186.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_7708186
loop_
_publ_author_name
'Drescher, Wiebke'
'Kleeberg, Christian'
_publ_section_title
;
 N-H deprotonation of a diaminodialkoxido diborane(4) - a structural study
 on bifunctional Lewis acids/bases and their dimerisation to
 B(sp²)₂B(sp³)₂N₂
 six membered rings.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13149
_journal_page_last               13157
_journal_paper_doi               10.1039/d1dt02327f
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C56 H98 B4 Li6 N4 O10, 1.810 (C4 H8 O)'
_chemical_formula_sum            'C63.24 H112.48 B4 Li6 N4 O11.81'
_chemical_formula_weight         1202.73
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-06-09 deposited with the CCDC.	2021-08-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.665(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.5108(4)
_cell_length_b                   12.8635(2)
_cell_length_c                   27.2387(5)
_cell_measurement_reflns_used    35773
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      75.43
_cell_measurement_theta_min      3.83
_cell_volume                     7330.3(2)
_computing_cell_refinement
;
 CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
;
_computing_data_collection
;
 CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
;
_computing_data_reduction
;
 CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
;
_computing_molecular_graphics
;
 K. Brandenburg, 2016, Diamond 4.2.2, Crystal Impact GbR, Bonn, Germany.
;
_computing_publication_material
;
 Olex2 (Dolomanov et al., J. Appl. Cryst., 2009, 42, 339-341)
;
_computing_structure_refinement
;
 SHELXL-2014/7 (G. M. Sheldrick, Acta Cryst., 2015, A71, 3--8)
;
_computing_structure_solution
;
 SHELXT (Ver. 2014/4) (G. M. Sheldrick, Acta Cryst., 2015, A71, 3--8)
;
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.3543
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Oxford Diffraction, Xcalibur, Atlas, Nova'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0492
_diffrn_reflns_av_unetI/netI     0.0169
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            84735
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.075
_diffrn_reflns_theta_min         3.492
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Nova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    0.559
_exptl_absorpt_correction_T_max  0.965
_exptl_absorpt_correction_T_min  0.939
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
 CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
 Numerical absorption correction based on gaussian integration over
 a multifaceted crystal model.
 Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    1.090
_exptl_crystal_description       'irregular block'
_exptl_crystal_F_000             2610
_exptl_crystal_recrystallization_method
;
 From a solution in THF layered with n-pentane at -40deg C.
;
_exptl_crystal_size_max          0.446
_exptl_crystal_size_mid          0.363
_exptl_crystal_size_min          0.243
_refine_diff_density_max         0.450
_refine_diff_density_min         -0.363
_refine_diff_density_rms         0.046
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     486
_refine_ls_number_reflns         7627
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0580
_refine_ls_R_factor_gt           0.0540
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1025P)²+3.9317P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1607
_refine_ls_wR_factor_ref         0.1655
_reflns_number_gt                6880
_reflns_number_total             7627
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt02327f2.cif
_cod_data_source_block           wo8ck2
_cod_depositor_comments
'Adding full bibliography for 7708180--7708186.cif.'
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_database_code               7708186
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.57187(6) 0.68267(10) 0.23965(5) 0.0317(3) Uani 1 1 d . . . . .
C2 C 0.50821(6) 0.65576(11) 0.21082(6) 0.0364(3) Uani 1 1 d . . . . .
H2 H 0.479877 0.641997 0.228644 0.044 Uiso 1 1 calc R U . . .
C3 C 0.48640(6) 0.64917(11) 0.15584(6) 0.0399(3) Uani 1 1 d . . . . .
H3 H 0.443127 0.631309 0.136268 0.048 Uiso 1 1 calc R U . . .
C4 C 0.52789(7) 0.66871(11) 0.12959(6) 0.0389(3) Uani 1 1 d . . . . .
H4 H 0.512378 0.664829 0.092125 0.047 Uiso 1 1 calc R U . . .
C5 C 0.59232(6) 0.69406(11) 0.15761(5) 0.0346(3) Uani 1 1 d . . . . .
H5 H 0.620217 0.706219 0.139213 0.041 Uiso 1 1 calc R U . . .
C6 C 0.61518(6) 0.70131(10) 0.21277(5) 0.0302(3) Uani 1 1 d . . . . .
C7 C 0.69771(6) 0.93386(11) 0.37941(5) 0.0354(3) Uani 1 1 d . . . . .
C8 C 0.76631(6) 0.93572(11) 0.37720(5) 0.0348(3) Uani 1 1 d . . . . .
C9 C 0.64600(6) 0.96390(12) 0.32649(6) 0.0391(3) Uani 1 1 d . . . . .
H9A H 0.650558 0.921201 0.298289 0.059 Uiso 1 1 calc R U . . .
H9B H 0.650626 1.037459 0.319226 0.059 Uiso 1 1 calc R U . . .
H9C H 0.603720 0.952287 0.328069 0.059 Uiso 1 1 calc R U . . .
C10 C 0.69011(7) 1.00253(12) 0.42241(6) 0.0445(3) Uani 1 1 d . . . . .
H10A H 0.645889 0.998737 0.420653 0.067 Uiso 1 1 calc R U . . .
H10B H 0.700484 1.074612 0.417070 0.067 Uiso 1 1 calc R U . . .
H10C H 0.719074 0.978348 0.457111 0.067 Uiso 1 1 calc R U . . .
C11 C 0.77590(7) 1.01714(12) 0.34013(6) 0.0428(3) Uani 1 1 d . . . . .
H11A H 0.819446 1.011822 0.340382 0.064 Uiso 1 1 calc R U . . .
H11B H 0.769334 1.086641 0.351963 0.064 Uiso 1 1 calc R U . . .
H11C H 0.745103 1.005278 0.304208 0.064 Uiso 1 1 calc R U . . .
C12 C 0.81864(7) 0.95027(12) 0.43180(6) 0.0421(3) Uani 1 1 d . . . . .
H12A H 0.810604 0.903645 0.457128 0.063 Uiso 1 1 calc R U . . .
H12B H 0.818512 1.022475 0.443239 0.063 Uiso 1 1 calc R U . . .
H12C H 0.860327 0.934010 0.430016 0.063 Uiso 1 1 calc R U . . .
C13 C 0.75849(7) 0.65985(11) 0.40211(6) 0.0371(3) Uani 1 1 d . . . . .
C14 C 0.79147(8) 0.59069(13) 0.37388(6) 0.0457(3) Uani 1 1 d . . . . .
H14A H 0.824843 0.630643 0.367280 0.069 Uiso 1 1 calc R U . . .
H14B H 0.759890 0.566757 0.340192 0.069 Uiso 1 1 calc R U . . .
H14C H 0.810737 0.530526 0.396127 0.069 Uiso 1 1 calc R U . . .
C15 C 0.70845(7) 0.59392(13) 0.41381(6) 0.0448(3) Uani 1 1 d . . . . .
H15A H 0.729872 0.537696 0.438195 0.067 Uiso 1 1 calc R U . . .
H15B H 0.678548 0.564208 0.380808 0.067 Uiso 1 1 calc R U . . .
H15C H 0.684963 0.637756 0.429894 0.067 Uiso 1 1 calc R U . . .
C16 C 0.80903(7) 0.69271(13) 0.45514(6) 0.0437(3) Uani 1 1 d . . . . .
H16A H 0.789355 0.737870 0.473865 0.066 Uiso 1 1 calc R U . . .
H16B H 0.843422 0.730463 0.448946 0.066 Uiso 1 1 calc R U . . .
H16C H 0.826635 0.630807 0.476546 0.066 Uiso 1 1 calc R U . . .
C17 C 0.48526(7) 0.86486(15) 0.35956(8) 0.0546(4) Uani 1 1 d . . . . .
H17A H 0.455582 0.816285 0.333919 0.065 Uiso 1 1 calc R U . . .
H17B H 0.489578 0.928194 0.340491 0.065 Uiso 1 1 calc R U . . .
C18 C 0.46096(9) 0.89206(18) 0.40253(10) 0.0704(6) Uani 1 1 d . . . . .
H18A H 0.433922 0.835724 0.407765 0.084 Uiso 1 1 calc R U . . .
H18B H 0.436047 0.957490 0.394357 0.084 Uiso 1 1 calc R U . . .
C19 C 0.52185(11) 0.90451(18) 0.45058(9) 0.0663(5) Uani 1 1 d . . . . .
H19A H 0.541030 0.974100 0.451532 0.080 Uiso 1 1 calc R U . . .
H19B H 0.514165 0.893217 0.483696 0.080 Uiso 1 1 calc R U . . .
C20 C 0.56347(8) 0.82006(14) 0.44187(6) 0.0495(4) Uani 1 1 d . . . . .
H20A H 0.609300 0.837104 0.460000 0.059 Uiso 1 1 calc R U . . .
H20B H 0.554716 0.752461 0.455222 0.059 Uiso 1 1 calc R U . . .
O4 O 0.52433(14) 0.5047(3) 0.33907(16) 0.0469(5) Uani 0.802(4) 1 d D . P A 1
C21 C 0.47274(15) 0.43521(19) 0.30953(14) 0.0378(8) Uani 0.802(4) 1 d D . P A 1
H21A H 0.481190 0.363803 0.324009 0.045 Uiso 0.802(4) 1 calc R U P A 1
H21B H 0.467546 0.433343 0.271826 0.045 Uiso 0.802(4) 1 calc R U P A 1
C22 C 0.41379(17) 0.4797(3) 0.31579(16) 0.0474(8) Uani 0.802(4) 1 d D . P A 1
H22A H 0.379820 0.426723 0.309236 0.057 Uiso 0.802(4) 1 calc R U P A 1
H22B H 0.396723 0.540077 0.292251 0.057 Uiso 0.802(4) 1 calc R U P A 1
C23 C 0.44169(11) 0.5117(2) 0.37335(10) 0.0609(7) Uani 0.802(4) 1 d D . P A 1
H23A H 0.414622 0.564482 0.381410 0.073 Uiso 0.802(4) 1 calc R U P A 1
H23B H 0.446612 0.451021 0.396920 0.073 Uiso 0.802(4) 1 calc R U P A 1
C24 C 0.50589(12) 0.5563(2) 0.37883(10) 0.0608(7) Uani 0.802(4) 1 d D . P A 1
H24A H 0.502634 0.632342 0.372764 0.073 Uiso 0.802(4) 1 calc R U P A 1
H24B H 0.537797 0.542780 0.414631 0.073 Uiso 0.802(4) 1 calc R U P A 1
O4' O 0.5090(4) 0.5198(9) 0.3284(6) 0.062(5) Uani 0.198(4) 1 d D . P A 2
C21' C 0.4659(6) 0.4343(8) 0.3046(7) 0.086(9) Uani 0.198(4) 1 d D . P A 2
H21C H 0.486963 0.366721 0.317536 0.103 Uiso 0.198(4) 1 calc R U P A 2
H21D H 0.452113 0.436199 0.265661 0.103 Uiso 0.198(4) 1 calc R U P A 2
C22' C 0.4096(5) 0.4499(6) 0.3214(6) 0.044(4) Uani 0.198(4) 1 d D . P A 2
H22C H 0.419194 0.426516 0.358144 0.053 Uiso 0.198(4) 1 calc R U P A 2
H22D H 0.370916 0.413691 0.297449 0.053 Uiso 0.198(4) 1 calc R U P A 2
C23' C 0.4027(3) 0.5669(6) 0.3163(4) 0.061(3) Uani 0.198(4) 1 d D . P A 2
H23C H 0.380825 0.587991 0.278940 0.074 Uiso 0.198(4) 1 calc R U P A 2
H23D H 0.378560 0.594409 0.337374 0.074 Uiso 0.198(4) 1 calc R U P A 2
C24' C 0.4712(4) 0.6038(6) 0.3378(4) 0.063(3) Uani 0.198(4) 1 d D . P A 2
H24C H 0.475933 0.667885 0.319484 0.075 Uiso 0.198(4) 1 calc R U P A 2
H24D H 0.485088 0.618629 0.376106 0.075 Uiso 0.198(4) 1 calc R U P A 2
C25 C 0.65449(8) 0.44276(12) 0.25646(7) 0.0458(3) Uani 1 1 d . . . . .
H25A H 0.677559 0.509914 0.262341 0.055 Uiso 1 1 calc R U . . .
H25B H 0.626437 0.437660 0.218726 0.055 Uiso 1 1 calc R U . . .
C26 C 0.70096(14) 0.35344(17) 0.27199(14) 0.0906(9) Uani 1 1 d . . . . .
H26A H 0.708972 0.325763 0.241083 0.109 Uiso 0.780(11) 1 calc R U P B 3
H26B H 0.742122 0.374664 0.299418 0.109 Uiso 0.780(11) 1 calc R U P B 3
H26C H 0.744726 0.376685 0.276943 0.109 Uiso 0.220(11) 1 calc R U P B 4
H26D H 0.687971 0.297598 0.245090 0.109 Uiso 0.220(11) 1 calc R U P B 4
C27 C 0.6671(2) 0.2747(3) 0.2932(2) 0.0775(14) Uani 0.780(11) 1 d . . P B 3
H27A H 0.635938 0.233950 0.264270 0.093 Uiso 0.780(11) 1 calc R U P B 3
H27B H 0.697908 0.226509 0.318245 0.093 Uiso 0.780(11) 1 calc R U P B 3
C27' C 0.6972(8) 0.3170(13) 0.3237(11) 0.114(8) Uani 0.220(11) 1 d . . P B 4
H27C H 0.705284 0.241341 0.328329 0.137 Uiso 0.220(11) 1 calc R U P B 4
H27D H 0.729143 0.353785 0.353883 0.137 Uiso 0.220(11) 1 calc R U P B 4
C28 C 0.63432(10) 0.34066(14) 0.32052(9) 0.0622(5) Uani 1 1 d . . . . .
H28A H 0.595665 0.305390 0.321454 0.075 Uiso 0.780(11) 1 calc R U P B 3
H28B H 0.663257 0.356001 0.357179 0.075 Uiso 0.780(11) 1 calc R U P B 3
H28C H 0.633319 0.351684 0.356175 0.075 Uiso 0.220(11) 1 calc R U P B 4
H28D H 0.604495 0.283650 0.302967 0.075 Uiso 0.220(11) 1 calc R U P B 4
O6 O 0.3889(8) 0.7993(9) 0.5005(8) 0.206(3) Uani 0.137(3) 1 d D . P C 5
C29 C 0.4191(6) 0.7081(11) 0.4888(7) 0.1029(15) Uani 0.137(3) 1 d D . P C 5
H29A H 0.419307 0.714489 0.452613 0.123 Uiso 0.137(3) 1 calc R U P C 5
H29B H 0.464071 0.704799 0.513694 0.123 Uiso 0.137(3) 1 calc R U P C 5
C30 C 0.3869(8) 0.6130(9) 0.4925(8) 0.1172(17) Uani 0.137(3) 1 d D . P C 5
H30A H 0.413753 0.570439 0.522908 0.141 Uiso 0.137(3) 1 calc R U P C 5
H30B H 0.375842 0.571353 0.459810 0.141 Uiso 0.137(3) 1 calc R U P C 5
C31 C 0.3277(7) 0.6504(12) 0.5003(7) 0.0995(13) Uani 0.137(3) 1 d D . P C 5
H31A H 0.290826 0.605535 0.480564 0.119 Uiso 0.137(3) 1 calc R U P C 5
H31B H 0.333906 0.647982 0.538240 0.119 Uiso 0.137(3) 1 calc R U P C 5
C32 C 0.3164(6) 0.7515(12) 0.4818(9) 0.131(2) Uani 0.137(3) 1 d D . P C 5
H32A H 0.290199 0.789726 0.498098 0.157 Uiso 0.137(3) 1 calc R U P C 5
H32B H 0.294776 0.753257 0.442908 0.157 Uiso 0.137(3) 1 calc R U P C 5
O6' O 0.3301(3) 0.7196(5) 0.45103(18) 0.206(3) Uani 0.768(4) 1 d D . P D 6
C29' C 0.3902(3) 0.6792(3) 0.45115(16) 0.1029(15) Uani 0.768(4) 1 d D . P D 6
H29C H 0.381573 0.629269 0.421678 0.123 Uiso 0.768(4) 1 calc R U P D 6
H29D H 0.415635 0.737182 0.445091 0.123 Uiso 0.768(4) 1 calc R U P D 6
C30' C 0.4271(3) 0.6280(4) 0.50018(19) 0.1172(17) Uani 0.768(4) 1 d D . P D 6
H30C H 0.470722 0.657583 0.515662 0.141 Uiso 0.768(4) 1 calc R U P D 6
H30D H 0.430327 0.552384 0.494790 0.141 Uiso 0.768(4) 1 calc R U P D 6
C31' C 0.3897(2) 0.6492(4) 0.53483(15) 0.0995(13) Uani 0.768(4) 1 d D . P D 6
H31C H 0.362263 0.588902 0.534546 0.119 Uiso 0.768(4) 1 calc R U P D 6
H31D H 0.419131 0.661701 0.571662 0.119 Uiso 0.768(4) 1 calc R U P D 6
C32' C 0.3525(3) 0.7363(5) 0.5150(2) 0.131(2) Uani 0.768(4) 1 d D . P D 6
H32C H 0.377744 0.800977 0.526530 0.157 Uiso 0.768(4) 1 calc R U P D 6
H32D H 0.315316 0.738641 0.526060 0.157 Uiso 0.768(4) 1 calc R U P D 6
Li1 Li 0.60663(12) 0.7725(2) 0.35526(10) 0.0423(5) Uani 1 1 d . . . . .
Li2 Li 0.57983(13) 0.5540(2) 0.30700(12) 0.0478(6) Uani 1 1 d . . . . .
Li3 Li 0.73871(11) 0.7029(2) 0.21220(9) 0.0368(5) Uani 1 1 d . . . . .
N1 N 0.60291(5) 0.69352(9) 0.29373(5) 0.0331(2) Uani 1 1 d . . . . .
N2 N 0.67601(5) 0.72519(8) 0.24878(4) 0.0299(2) Uani 1 1 d . . . . .
O1 O 0.77226(4) 0.83545(7) 0.35704(4) 0.0327(2) Uani 1 1 d . . . . .
O2 O 0.68985(4) 0.82751(7) 0.39118(4) 0.0349(2) Uani 1 1 d . . . . .
O3 O 0.54658(5) 0.81671(8) 0.38561(4) 0.0406(2) Uani 1 1 d . . . . .
O5 O 0.61745(5) 0.43451(8) 0.28977(5) 0.0473(3) Uani 1 1 d . . . . .
B1 B 0.66879(7) 0.72111(11) 0.30039(6) 0.0313(3) Uani 1 1 d . . . . .
B2 B 0.72375(7) 0.75861(12) 0.36334(6) 0.0321(3) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li 0.0008 0.0003 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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 C1 C2 129.18(12) . . ?
N1 C1 C6 110.73(11) . . ?
C2 C1 C6 120.08(12) . . ?
N1 C1 Li2 52.95(9) . . ?
C2 C1 Li2 91.72(11) . . ?
C6 C1 Li2 128.54(11) . . ?
C3 C2 C1 119.92(12) . . ?
C4 C3 C2 120.21(12) . . ?
C3 C4 C5 121.07(13) . . ?
C6 C5 C4 119.69(12) . . ?
N2 C6 C5 130.31(11) . . ?
N2 C6 C1 110.67(11) . . ?
C5 C6 C1 119.02(11) . . ?
N2 C6 Li3 43.84(7) . . ?
C5 C6 Li3 88.10(9) . . ?
C1 C6 Li3 150.33(10) . . ?
O2 C7 C10 108.85(11) . . ?
O2 C7 C9 109.79(11) . . ?
C10 C7 C9 108.35(12) . . ?
O2 C7 C8 103.19(10) . . ?
C10 C7 C8 114.31(11) . . ?
C9 C7 C8 112.18(11) . . ?
O1 C8 C11 108.03(11) . . ?
O1 C8 C12 109.67(11) . . ?
C11 C8 C12 108.26(12) . . ?
O1 C8 C7 103.57(10) . . ?
C11 C8 C7 114.73(12) . . ?
C12 C8 C7 112.36(11) . . ?
C16 C13 C15 107.66(12) . . ?
C16 C13 C14 107.71(12) . . ?
C15 C13 C14 108.16(13) . . ?
C16 C13 B2 113.71(12) . . ?
C15 C13 B2 110.31(11) . . ?
C14 C13 B2 109.12(11) . . ?
O3 C17 C18 105.95(15) . . ?
C17 C18 C19 102.93(14) . . ?
C20 C19 C18 101.80(16) . . ?
O3 C20 C19 104.71(14) . . ?
C21 O4 C24 107.69(18) . . ?
C21 O4 Li2 118.9(2) . . ?
C24 O4 Li2 127.8(2) . . ?
O4 C21 C22 105.10(19) . . ?
C21 C22 C23 100.0(2) . . ?
C24 C23 C22 102.8(2) . . ?
O4 C24 C23 106.17(18) . . ?
C21' O4' C24' 107.7(2) . . ?
C21' O4' Li2 121.7(7) . . ?
C24' O4' Li2 118.9(7) . . ?
O4' C21' C22' 105.1(2) . . ?
C21' C22' C23' 100.0(3) . . ?
C24' C23' C22' 102.8(2) . . ?
O4' C24' C23' 106.1(2) . . ?
O5 C25 C26 105.64(15) . . ?
C27 C26 C25 102.96(19) . . ?
C25 C26 C27' 103.0(5) . . ?
C28 C27 C26 102.8(2) . . ?
C28 C27' C26 105.9(12) . . ?
C27' C28 O5 105.0(6) . . ?
O5 C28 C27 105.07(18) . . ?
C29 O6 C32 97.0(4) . . ?
C30 C29 O6 112.4(4) . . ?
C29 C30 C31 103.5(4) . . ?
C32 C31 C30 107.6(4) . . ?
C31 C32 O6 102.3(4) . . ?
C29' O6' C32' 97.1(4) . . ?
C30' C29' O6' 112.6(4) . . ?
C29' C30' C31' 103.5(4) . . ?
C32' C31' C30' 107.5(4) . . ?
C31' C32' O6' 102.3(4) . . ?
O2 Li1 O3 112.73(13) . . ?
O2 Li1 N1 111.14(12) . . ?
O3 Li1 N1 135.95(14) . . ?
O2 Li1 B1 75.04(9) . . ?
O3 Li1 B1 169.69(15) . . ?
N1 Li1 B1 36.22(6) . . ?
O2 Li1 B2 36.57(6) . . ?
O3 Li1 B2 148.23(14) . . ?
N1 Li1 B2 75.68(9) . . ?
B1 Li1 B2 40.98(6) . . ?
O2 Li1 Li2 124.21(12) . . ?
O3 Li1 Li2 113.51(12) . . ?
N1 Li1 Li2 37.71(8) . . ?
B1 Li1 Li2 64.13(8) . . ?
B2 Li1 Li2 90.35(9) . . ?
O4 Li2 O5 106.04(16) . . ?
O4 Li2 N1 131.95(18) . . ?
O5 Li2 N1 121.96(14) . . ?
O5 Li2 O4' 112.5(3) . . ?
N1 Li2 O4' 124.9(3) . . ?
O4 Li2 C1 134.82(19) . . ?
O5 Li2 C1 106.30(13) . . ?
N1 Li2 C1 34.74(7) . . ?
O4' Li2 C1 122.8(5) . . ?
O4 Li2 Li1 99.74(14) . . ?
O5 Li2 Li1 144.48(14) . . ?
N1 Li2 Li1 37.60(8) . . ?
O4' Li2 Li1 97.6(3) . . ?
C1 Li2 Li1 69.32(9) . . ?
O1 Li3 N2 132.43(13) 7_665 . ?
O1 Li3 N2 113.10(11) 7_665 7_665 ?
N2 Li3 N2 111.81(11) . 7_665 ?
O1 Li3 Li3 162.0(2) 7_665 7_665 ?
N2 Li3 Li3 56.21(10) . 7_665 ?
N2 Li3 Li3 55.61(10) 7_665 7_665 ?
O1 Li3 B1 76.48(9) 7_665 7_665 ?
N2 Li3 B1 143.02(12) . 7_665 ?
N2 Li3 B1 37.15(6) 7_665 7_665 ?
Li3 Li3 B1 89.80(13) 7_665 7_665 ?
O1 Li3 B2 36.67(6) 7_665 7_665 ?
N2 Li3 B2 150.39(13) . 7_665 ?
N2 Li3 B2 78.67(8) 7_665 7_665 ?
Li3 Li3 B2 126.65(16) 7_665 7_665 ?
B1 Li3 B2 41.58(6) 7_665 7_665 ?
O1 Li3 C6 104.03(10) 7_665 . ?
N2 Li3 C6 28.43(5) . . ?
N2 Li3 C6 138.51(11) 7_665 . ?
Li3 Li3 C6 83.62(12) 7_665 . ?
B1 Li3 C6 155.51(12) 7_665 . ?
B2 Li3 C6 129.48(10) 7_665 . ?
C1 N1 B1 104.20(10) . . ?
C1 N1 Li1 144.86(12) . . ?
B1 N1 Li1 92.71(11) . . ?
C1 N1 Li2 92.31(12) . . ?
B1 N1 Li2 121.87(12) . . ?
Li1 N1 Li2 104.69(13) . . ?
C6 N2 B1 103.76(10) . . ?
C6 N2 Li3 107.73(10) . . ?
B1 N2 Li3 143.69(11) . . ?
C6 N2 Li3 163.34(12) . 7_665 ?
B1 N2 Li3 86.16(10) . 7_665 ?
Li3 N2 Li3 68.19(11) . 7_665 ?
C8 O1 B2 111.64(9) . . ?
C8 O1 Li3 128.91(11) . 7_665 ?
B2 O1 Li3 96.23(10) . 7_665 ?
C7 O2 B2 108.37(10) . . ?
C7 O2 Li1 114.85(11) . . ?
B2 O2 Li1 96.07(10) . . ?
C20 O3 C17 109.94(12) . . ?
C20 O3 Li1 121.26(12) . . ?
C17 O3 Li1 128.13(13) . . ?
C28 O5 C25 109.74(13) . . ?
C28 O5 Li2 125.61(14) . . ?
C25 O5 Li2 120.68(12) . . ?
N1 B1 N2 110.64(11) . . ?
N1 B1 B2 119.83(11) . . ?
N2 B1 B2 129.04(11) . . ?
N1 B1 Li3 162.84(12) . 7_665 ?
N2 B1 Li3 56.69(8) . 7_665 ?
B2 B1 Li3 72.49(8) . 7_665 ?
N1 B1 Li1 51.07(9) . . ?
N2 B1 Li1 148.08(11) . . ?
B2 B1 Li1 72.08(9) . . ?
Li3 B1 Li1 132.69(10) 7_665 . ?
O1 B2 O2 100.81(10) . . ?
O1 B2 C13 112.31(10) . . ?
O2 B2 C13 109.35(10) . . ?
O1 B2 B1 109.88(10) . . ?
O2 B2 B1 109.73(10) . . ?
C13 B2 B1 113.95(11) . . ?
O1 B2 Li3 47.10(7) . 7_665 ?
O2 B2 Li3 131.22(11) . 7_665 ?
C13 B2 Li3 116.51(10) . 7_665 ?
B1 B2 Li3 65.93(8) . 7_665 ?
O1 B2 Li1 134.28(11) . . ?
O2 B2 Li1 47.36(8) . . ?
C13 B2 Li1 109.68(10) . . ?
B1 B2 Li1 66.94(8) . . ?
Li3 B2 Li1 123.62(10) 7_665 . ?
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
C1 N1 1.3849(18) . ?
C1 C2 1.3998(18) . ?
C1 C6 1.4394(17) . ?
C1 Li2 2.428(3) . ?
C2 C3 1.396(2) . ?
C3 C4 1.393(2) . ?
C4 C5 1.4054(18) . ?
C5 C6 1.3999(19) . ?
C6 N2 1.3928(16) . ?
C6 Li3 2.787(2) . ?
C7 O2 1.4310(17) . ?
C7 C10 1.5263(19) . ?
C7 C9 1.5307(19) . ?
C7 C8 1.5675(18) . ?
C8 O1 1.4274(16) . ?
C8 C11 1.525(2) . ?
C8 C12 1.5301(19) . ?
C13 C16 1.532(2) . ?
C13 C15 1.534(2) . ?
C13 C14 1.535(2) . ?
C13 B2 1.653(2) . ?
C17 O3 1.4385(18) . ?
C17 C18 1.505(3) . ?
C18 C19 1.514(3) . ?
C19 C20 1.509(3) . ?
C20 O3 1.4371(19) . ?
O4 C21 1.451(3) . ?
O4 C24 1.455(3) . ?
O4 Li2 1.879(4) . ?
C21 C22 1.511(3) . ?
C22 C23 1.515(4) . ?
C23 C24 1.510(3) . ?
O4' C21' 1.451(3) . ?
O4' C24' 1.455(3) . ?
O4' Li2 1.940(10) . ?
C21' C22' 1.511(3) . ?
C22' C23' 1.515(4) . ?
C23' C24' 1.510(3) . ?
C25 O5 1.4452(19) . ?
C25 C26 1.505(3) . ?
C26 C27 1.505(4) . ?
C26 C27' 1.52(2) . ?
C27 C28 1.492(4) . ?
C27' C28 1.418(13) . ?
C28 O5 1.438(2) . ?
O6 C29 1.449(7) . ?
O6 C32 1.640(6) . ?
C29 C30 1.446(6) . ?
C30 C31 1.504(6) . ?
C31 C32 1.384(7) . ?
O6' C29' 1.449(7) . ?
O6' C32' 1.640(6) . ?
C29' C30' 1.445(6) . ?
C30' C31' 1.504(6) . ?
C31' C32' 1.384(7) . ?
Li1 O2 1.901(3) . ?
Li1 O3 1.913(3) . ?
Li1 N1 1.935(3) . ?
Li1 B1 2.485(3) . ?
Li1 B2 2.570(3) . ?
Li1 Li2 3.067(4) . ?
Li2 O5 1.895(3) . ?
Li2 N1 1.940(3) . ?
Li3 O1 1.875(2) 7_665 ?
Li3 N2 2.026(2) . ?
Li3 N2 2.041(2) 7_665 ?
Li3 Li3 2.280(5) 7_665 ?
Li3 B1 2.436(3) 7_665 ?
Li3 B2 2.545(3) 7_665 ?
N1 B1 1.4697(17) . ?
N2 B1 1.4745(18) . ?
O1 B2 1.5288(16) . ?
O2 B2 1.5396(16) . ?
B1 B2 1.771(2) . ?
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
N1 C1 C2 C3 179.95(13) . . . . ?
C6 C1 C2 C3 -1.4(2) . . . . ?
Li2 C1 C2 C3 -138.91(14) . . . . ?
C1 C2 C3 C4 0.4(2) . . . . ?
C2 C3 C4 C5 0.8(2) . . . . ?
C3 C4 C5 C6 -0.9(2) . . . . ?
C4 C5 C6 N2 -179.79(13) . . . . ?
C4 C5 C6 C1 -0.10(19) . . . . ?
C4 C5 C6 Li3 167.26(13) . . . . ?
N1 C1 C6 N2 -0.12(15) . . . . ?
C2 C1 C6 N2 -179.03(11) . . . . ?
Li2 C1 C6 N2 -58.64(17) . . . . ?
N1 C1 C6 C5 -179.87(11) . . . . ?
C2 C1 C6 C5 1.22(19) . . . . ?
Li2 C1 C6 C5 121.61(15) . . . . ?
N1 C1 C6 Li3 26.4(2) . . . . ?
C2 C1 C6 Li3 -152.56(17) . . . . ?
Li2 C1 C6 Li3 -32.2(3) . . . . ?
O2 C7 C8 O1 32.94(12) . . . . ?
C10 C7 C8 O1 150.98(12) . . . . ?
C9 C7 C8 O1 -85.16(13) . . . . ?
O2 C7 C8 C11 150.44(11) . . . . ?
C10 C7 C8 C11 -91.52(15) . . . . ?
C9 C7 C8 C11 32.34(16) . . . . ?
O2 C7 C8 C12 -85.34(13) . . . . ?
C10 C7 C8 C12 32.70(17) . . . . ?
C9 C7 C8 C12 156.56(12) . . . . ?
O3 C17 C18 C19 26.3(2) . . . . ?
C17 C18 C19 C20 -37.2(2) . . . . ?
C18 C19 C20 O3 35.00(19) . . . . ?
C24 O4 C21 C22 24.1(4) . . . . ?
Li2 O4 C21 C22 -131.6(3) . . . . ?
O4 C21 C22 C23 -40.1(4) . . . . ?
C21 C22 C23 C24 40.4(3) . . . . ?
C21 O4 C24 C23 2.1(4) . . . . ?
Li2 O4 C24 C23 155.0(3) . . . . ?
C22 C23 C24 O4 -27.3(4) . . . . ?
C24' O4' C21' C22' -23.8(8) . . . . ?
Li2 O4' C21' C22' -166.3(11) . . . . ?
O4' C21' C22' C23' 40.0(6) . . . . ?
C21' C22' C23' C24' -40.6(5) . . . . ?
C21' O4' C24' C23' -2.5(9) . . . . ?
Li2 O4' C24' C23' 141.2(9) . . . . ?
C22' C23' C24' O4' 27.6(7) . . . . ?
O5 C25 C26 C27 26.2(3) . . . . ?
O5 C25 C26 C27' -14.1(10) . . . . ?
C25 C26 C27 C28 -36.4(4) . . . . ?
C25 C26 C27' C28 29.4(15) . . . . ?
C26 C27' C28 O5 -33.2(15) . . . . ?
C26 C27 C28 O5 33.6(4) . . . . ?
C32 O6 C29 C30 -28.0(8) . . . . ?
O6 C29 C30 C31 7.6(10) . . . . ?
C29 C30 C31 C32 21.5(9) . . . . ?
C30 C31 C32 O6 -38.1(7) . . . . ?
C29 O6 C32 C31 39.9(6) . . . . ?
C32' O6' C29' C30' 27.1(6) . . . . ?
O6' C29' C30' C31' -6.5(6) . . . . ?
C29' C30' C31' C32' -22.2(5) . . . . ?
C30' C31' C32' O6' 38.4(5) . . . . ?
C29' O6' C32' C31' -39.6(5) . . . . ?
C21 O4 Li2 O5 -59.2(3) . . . . ?
C24 O4 Li2 O5 150.6(3) . . . . ?
C21 O4 Li2 N1 123.4(3) . . . . ?
C24 O4 Li2 N1 -26.9(5) . . . . ?
C21 O4 Li2 C1 75.0(3) . . . . ?
C24 O4 Li2 C1 -75.2(4) . . . . ?
C21 O4 Li2 Li1 145.5(3) . . . . ?
C24 O4 Li2 Li1 -4.8(4) . . . . ?
C2 C1 N1 B1 179.21(13) . . . . ?
C6 C1 N1 B1 0.43(14) . . . . ?
Li2 C1 N1 B1 123.73(13) . . . . ?
C2 C1 N1 Li1 -64.4(3) . . . . ?
C6 C1 N1 Li1 116.81(19) . . . . ?
Li2 C1 N1 Li1 -119.9(2) . . . . ?
C2 C1 N1 Li2 55.48(16) . . . . ?
C6 C1 N1 Li2 -123.30(12) . . . . ?
C5 C6 N2 B1 179.47(13) . . . . ?
C1 C6 N2 B1 -0.25(14) . . . . ?
Li3 C6 N2 B1 -161.67(14) . . . . ?
C5 C6 N2 Li3 -18.86(18) . . . . ?
C1 C6 N2 Li3 161.42(11) . . . . ?
C5 C6 N2 Li3 54.2(4) . . . 7_665 ?
C1 C6 N2 Li3 -125.6(4) . . . 7_665 ?
Li3 C6 N2 Li3 73.0(4) . . . 7_665 ?
C11 C8 O1 B2 -140.91(11) . . . . ?
C12 C8 O1 B2 101.30(12) . . . . ?
C7 C8 O1 B2 -18.83(13) . . . . ?
C11 C8 O1 Li3 -22.86(17) . . . 7_665 ?
C12 C8 O1 Li3 -140.65(13) . . . 7_665 ?
C7 C8 O1 Li3 99.22(14) . . . 7_665 ?
C10 C7 O2 B2 -156.84(11) . . . . ?
C9 C7 O2 B2 84.71(12) . . . . ?
C8 C7 O2 B2 -35.05(13) . . . . ?
C10 C7 O2 Li1 97.10(13) . . . . ?
C9 C7 O2 Li1 -21.35(15) . . . . ?
C8 C7 O2 Li1 -141.10(11) . . . . ?
C19 C20 O3 C17 -19.47(19) . . . . ?
C19 C20 O3 Li1 151.80(15) . . . . ?
C18 C17 O3 C20 -4.46(19) . . . . ?
C18 C17 O3 Li1 -174.97(16) . . . . ?
C27' C28 O5 C25 24.5(12) . . . . ?
C27 C28 O5 C25 -17.7(3) . . . . ?
C27' C28 O5 Li2 -132.9(12) . . . . ?
C27 C28 O5 Li2 -175.2(3) . . . . ?
C26 C25 O5 C28 -5.6(2) . . . . ?
C26 C25 O5 Li2 153.19(19) . . . . ?
O4 Li2 O5 C28 -35.4(3) . . . . ?
N1 Li2 O5 C28 142.33(19) . . . . ?
O4' Li2 O5 C28 -46.3(5) . . . . ?
C1 Li2 O5 C28 176.57(14) . . . . ?
Li1 Li2 O5 C28 99.5(3) . . . . ?
O4 Li2 O5 C25 169.36(17) . . . . ?
N1 Li2 O5 C25 -12.9(3) . . . . ?
O4' Li2 O5 C25 158.5(5) . . . . ?
C1 Li2 O5 C25 21.34(19) . . . . ?
Li1 Li2 O5 C25 -55.7(3) . . . . ?
C1 N1 B1 N2 -0.59(14) . . . . ?
Li1 N1 B1 N2 -149.51(12) . . . . ?
Li2 N1 B1 N2 101.31(16) . . . . ?
C1 N1 B1 B2 172.11(11) . . . . ?
Li1 N1 B1 B2 23.19(15) . . . . ?
Li2 N1 B1 B2 -85.98(17) . . . . ?
C1 N1 B1 Li3 39.1(4) . . . 7_665 ?
Li1 N1 B1 Li3 -109.8(4) . . . 7_665 ?
Li2 N1 B1 Li3 141.0(4) . . . 7_665 ?
C1 N1 B1 Li1 148.93(14) . . . . ?
Li2 N1 B1 Li1 -109.17(17) . . . . ?
C6 N2 B1 N1 0.52(14) . . . . ?
Li3 N2 B1 N1 -149.10(16) . . . . ?
Li3 N2 B1 N1 166.96(12) 7_665 . . . ?
C6 N2 B1 B2 -171.33(12) . . . . ?
Li3 N2 B1 B2 39.1(3) . . . . ?
Li3 N2 B1 B2 -4.89(15) 7_665 . . . ?
C6 N2 B1 Li3 -166.44(12) . . . 7_665 ?
Li3 N2 B1 Li3 43.9(2) . . . 7_665 ?
C6 N2 B1 Li1 -47.8(2) . . . . ?
Li3 N2 B1 Li1 162.61(19) . . . . ?
Li3 N2 B1 Li1 118.7(2) 7_665 . . . ?
C8 O1 B2 O2 -1.30(13) . . . . ?
Li3 O1 B2 O2 -137.60(11) 7_665 . . . ?
C8 O1 B2 C13 -117.59(12) . . . . ?
Li3 O1 B2 C13 106.11(12) 7_665 . . . ?
C8 O1 B2 B1 114.46(11) . . . . ?
Li3 O1 B2 B1 -21.85(13) 7_665 . . . ?
C8 O1 B2 Li3 136.30(13) . . . 7_665 ?
C8 O1 B2 Li1 37.71(18) . . . . ?
Li3 O1 B2 Li1 -98.59(15) 7_665 . . . ?
C7 O2 B2 O1 23.50(12) . . . . ?
Li1 O2 B2 O1 142.23(11) . . . . ?
C7 O2 B2 C13 141.96(11) . . . . ?
Li1 O2 B2 C13 -99.31(13) . . . . ?
C7 O2 B2 B1 -92.37(12) . . . . ?
Li1 O2 B2 B1 26.36(13) . . . . ?
C7 O2 B2 Li3 -17.55(16) . . . 7_665 ?
Li1 O2 B2 Li3 101.18(15) . . . 7_665 ?
C7 O2 B2 Li1 -118.73(13) . . . . ?
C16 C13 B2 O1 50.58(15) . . . . ?
C15 C13 B2 O1 171.63(11) . . . . ?
C14 C13 B2 O1 -69.68(14) . . . . ?
C16 C13 B2 O2 -60.45(14) . . . . ?
C15 C13 B2 O2 60.60(14) . . . . ?
C14 C13 B2 O2 179.29(11) . . . . ?
C16 C13 B2 B1 176.34(11) . . . . ?
C15 C13 B2 B1 -62.61(14) . . . . ?
C14 C13 B2 B1 56.09(14) . . . . ?
C16 C13 B2 Li3 102.44(13) . . . 7_665 ?
C15 C13 B2 Li3 -136.51(12) . . . 7_665 ?
C14 C13 B2 Li3 -17.82(15) . . . 7_665 ?
C16 C13 B2 Li1 -110.90(12) . . . . ?
C15 C13 B2 Li1 10.15(15) . . . . ?
C14 C13 B2 Li1 128.84(12) . . . . ?
N1 B1 B2 O1 -149.54(11) . . . . ?
N2 B1 B2 O1 21.65(18) . . . . ?
Li3 B1 B2 O1 17.37(10) 7_665 . . . ?
Li1 B1 B2 O1 -130.76(12) . . . . ?
N1 B1 B2 O2 -39.57(16) . . . . ?
N2 B1 B2 O2 131.62(13) . . . . ?
Li3 B1 B2 O2 127.34(11) 7_665 . . . ?
Li1 B1 B2 O2 -20.80(10) . . . . ?
N1 B1 B2 C13 83.42(14) . . . . ?
N2 B1 B2 C13 -105.38(15) . . . . ?
Li3 B1 B2 C13 -109.67(11) 7_665 . . . ?
Li1 B1 B2 C13 102.20(12) . . . . ?
N1 B1 B2 Li3 -166.91(14) . . . 7_665 ?
N2 B1 B2 Li3 4.28(13) . . . 7_665 ?
Li1 B1 B2 Li3 -148.13(10) . . . 7_665 ?
N1 B1 B2 Li1 -18.78(12) . . . . ?
N2 B1 B2 Li1 152.42(15) . . . . ?
Li3 B1 B2 Li1 148.13(10) 7_665 . . . ?
