#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:58:19 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179736 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/32/7003286.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_7003286
loop_
_publ_author_name
'Brown, Douglas J.'
'Chisholm, Malcolm H.'
'Gallucci, Judith C.'
_publ_section_title
;
 Amidinate--carboxylate complexes of dimolybdenum and ditungsten:
 M2(O2CR)2((NiPr)2CR′)2. Preparations, molecular and electronic
 structures and reactions
;
_journal_issue                   12
_journal_name_full               'Dalton Transactions'
_journal_page_first              1615
_journal_page_last               1624
_journal_paper_doi               10.1039/b715258b
_journal_year                    2008
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C38 H54 Li2 N4 O2'
_chemical_formula_sum            'C38 H54 Li2 N4 O2'
_chemical_formula_weight         612.73
_chemical_name_common            'Chisholm 1141'
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2007-01-24T14:50:02-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                93.575(5)
_cell_angle_beta                 91.225(5)
_cell_angle_gamma                90.848(4)
_cell_formula_units_Z            2
_cell_length_a                   9.7238(10)
_cell_length_b                   10.0080(10)
_cell_length_c                   19.713(2)
_cell_measurement_reflns_used    6721
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.028
_cell_measurement_theta_min      2.037
_cell_measurement_wavelength     0.71073
_cell_volume                     1914.0(3)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_orient_matrix_type       'by Nonius Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      0.210858E-1
_diffrn_orient_matrix_UB_12      0.357859E-1
_diffrn_orient_matrix_UB_13      -0.449322E-1
_diffrn_orient_matrix_UB_21      -0.991601E-1
_diffrn_orient_matrix_UB_22      -0.104748E-1
_diffrn_orient_matrix_UB_23      -0.141132E-1
_diffrn_orient_matrix_UB_31      -0.175051E-1
_diffrn_orient_matrix_UB_32      0.929261E-1
_diffrn_orient_matrix_UB_33      0.191469E-1
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            36676
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.04
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    0.065
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.063
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             664
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.27
_refine_diff_density_max         0.184
_refine_diff_density_min         -0.248
_refine_diff_density_rms         0.034
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.007
_refine_ls_goodness_of_fit_gt    1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     428
_refine_ls_number_reflns         6769
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.009
_refine_ls_restrained_S_gt       1.056
_refine_ls_R_factor_all          0.0676
_refine_ls_R_factor_gt           0.0518
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0737P)²+0.5717P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1471
_refine_ls_wR_factor_gt          0.1348
_reflns_number_gt                5267
_reflns_number_total             6769
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b715258b.txt
_cod_data_source_block           Chisholm1141
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7003286
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
O1A O 0.65708(13) 0.2185(2) 0.06883(6) 0.0669(4) Uani 1 d D .
N1A N 0.56084(13) 0.13669(14) -0.09361(7) 0.0421(3) Uani 1 d . .
N2A N 0.63922(14) -0.05576(15) -0.05041(7) 0.0492(4) Uani 1 d . .
C1A C 0.6453(2) 0.0346(2) -0.09731(8) 0.0397(4) Uani 1 d . .
C2A C 0.5576(2) 0.2306(2) -0.14715(8) 0.0456(4) Uani 1 d . .
H2A H 0.6498 0.2327 -0.16857 0.055 Uiso 1 calc R .
C3A C 0.5275(2) 0.3691(2) -0.11593(10) 0.0583(5) Uani 1 d . .
H3A1 H 0.5290 0.4336 -0.1513 0.087 Uiso 1 calc R .
H3A2 H 0.5975 0.3948 -0.0808 0.087 Uiso 1 calc R .
H3A3 H 0.4365 0.3684 -0.0955 0.087 Uiso 1 calc R .
C4A C 0.4494(2) 0.1878(2) -0.20152(9) 0.0618(5) Uani 1 d . .
H4A1 H 0.4470 0.2536 -0.2363 0.093 Uiso 1 calc R .
H4A2 H 0.3591 0.1824 -0.1807 0.093 Uiso 1 calc R .
H4A3 H 0.4726 0.0999 -0.2225 0.093 Uiso 1 calc R .
C5A C 0.7510(2) -0.1520(2) -0.04641(10) 0.0613(6) Uani 1 d . .
H5A H 0.8158 -0.1388 -0.08425 0.074 Uiso 1 calc R .
C6A C 0.8275(3) -0.1294(2) 0.0198(2) 0.1025(10) Uani 1 d . .
H6A1 H 0.8666 -0.0383 0.0236 0.154 Uiso 1 calc R .
H6A2 H 0.9018 -0.1942 0.0222 0.154 Uiso 1 calc R .
H6A3 H 0.7644 -0.141 0.0572 0.154 Uiso 1 calc R .
C7A C 0.6958(3) -0.2936(3) -0.0527(2) 0.1106(11) Uani 1 d . .
H7A1 H 0.7724 -0.3560 -0.0507 0.166 Uiso 1 calc R .
H7A2 H 0.646 -0.3094 -0.0962 0.166 Uiso 1 calc R .
H7A3 H 0.633 -0.3078 -0.0153 0.166 Uiso 1 calc R .
C8A C 0.7465(2) 0.0214(2) -0.15157(8) 0.0413(4) Uani 1 d . .
C9A C 0.8295(2) 0.0088(2) -0.19530(8) 0.0401(4) Uani 1 d . .
C10A C 0.9318(2) -0.0052(2) -0.24687(8) 0.0382(4) Uani 1 d . .
C11A C 1.0201(2) 0.1010(2) -0.25761(9) 0.0522(5) Uani 1 d . .
H11A H 1.0122 0.1830 -0.23114 0.063 Uiso 1 calc R .
C12A C 1.1195(2) 0.0885(2) -0.30644(10) 0.0646(6) Uani 1 d . .
H12A H 1.1795 0.1619 -0.31340 0.078 Uiso 1 calc R .
C13A C 1.1319(2) -0.0288(3) -0.34475(10) 0.0668(6) Uani 1 d . .
H13A H 1.2004 -0.0369 -0.37831 0.08 Uiso 1 calc R .
C14A C 1.0453(2) -0.1354(2) -0.33492(10) 0.0644(6) Uani 1 d . .
H14A H 1.0545 -0.2169 -0.36168 0.077 Uiso 1 calc R .
C15A C 0.9446(2) -0.1245(2) -0.28609(9) 0.0509(4) Uani 1 d . .
H15A H 0.8847 -0.1983 -0.27953 0.061 Uiso 1 calc R .
C16A C 0.7978(2) 0.2523(2) 0.05728(11) 0.0675(6) Uani 1 d . .
H16A H 0.8084 0.3494 0.05145 0.081 Uiso 1 calc R .
H16B H 0.8304 0.2025 0.01585 0.081 Uiso 1 calc R .
C17A C 0.8793(2) 0.2135(2) 0.11945(11) 0.0683(6) Uani 1 d . .
H17A H 0.9375 0.1351 0.10823 0.082 Uiso 1 calc R .
H17B H 0.9388 0.2888 0.13795 0.082 Uiso 1 calc R .
C18A C 0.7711(2) 0.1799(3) 0.16934(12) 0.0819(7) Uani 1 d D .
H18A H 0.7657 0.0821 0.17407 0.098 Uiso 0.790(12) calc PR 1
H18B H 0.7919 0.2252 0.21455 0.098 Uiso 0.790(12) calc PR 1
H18C H 0.7997 0.1012 0.19395 0.098 Uiso 0.210(12) calc PR 2
H18D H 0.7604 0.2563 0.20307 0.098 Uiso 0.210(12) calc PR 2
C19A C 0.6413(3) 0.2285(6) 0.14068(12) 0.0620(13) Uani 0.790(12) d PD 1
H19A H 0.5625 0.1725 0.15374 0.074 Uiso 0.790(12) calc PR 1
H19B H 0.6257 0.3224 0.15708 0.074 Uiso 0.790(12) calc PR 1
C19C C 0.6474(12) 0.152(2) 0.1353(6) 0.065(4) Uiso 0.210(12) d PD 2
H19C H 0.5700 0.189 0.1621 0.079 Uiso 0.210(12) calc PR 2
H19D H 0.6332 0.054 0.1271 0.079 Uiso 0.210(12) calc PR 2
Li1A Li 0.5361(3) 0.1197(3) 0.00555(15) 0.0535(7) Uani 1 d . .
O1B O 0.5952(2) 0.24254(15) 0.54539(7) 0.0711(4) Uani 1 d . .
N1B N 0.34457(14) 0.46413(14) 0.53779(7) 0.0442(3) Uani 1 d . .
N2B N 0.45572(14) 0.62565(14) 0.60677(6) 0.0420(3) Uani 1 d . .
C1B C 0.3542(2) 0.5374(2) 0.59686(8) 0.0385(4) Uani 1 d . .
C2B C 0.2153(2) 0.3915(2) 0.51985(9) 0.0564(5) Uani 1 d . .
H2B H 0.1461 0.4151 0.55527 0.068 Uiso 1 calc R .
C3B C 0.2369(3) 0.2411(2) 0.5169(2) 0.0912(8) Uani 1 d . .
H3B1 H 0.1490 0.1944 0.5062 0.137 Uiso 1 calc R .
H3B2 H 0.273 0.2153 0.5610 0.137 Uiso 1 calc R .
H3B3 H 0.3030 0.2166 0.4816 0.137 Uiso 1 calc R .
C4B C 0.1619(2) 0.4341(3) 0.45197(12) 0.0844(7) Uani 1 d . .
H4B1 H 0.0760 0.3854 0.4395 0.127 Uiso 1 calc R .
H4B2 H 0.2303 0.4139 0.4172 0.127 Uiso 1 calc R .
H4B3 H 0.1449 0.5305 0.4552 0.127 Uiso 1 calc R .
C5B C 0.4760(2) 0.6981(2) 0.67289(8) 0.0475(4) Uani 1 d . .
H5B H 0.3850 0.7076 0.69519 0.057 Uiso 1 calc R .
C6B C 0.5345(2) 0.8360(2) 0.66263(11) 0.0694(6) Uani 1 d . .
H6B1 H 0.5463 0.8859 0.70678 0.104 Uiso 1 calc R .
H6B2 H 0.4712 0.8838 0.6337 0.104 Uiso 1 calc R .
H6B3 H 0.6238 0.8277 0.6408 0.104 Uiso 1 calc R .
C7B C 0.5715(2) 0.6226(2) 0.71811(10) 0.0685(6) Uani 1 d . .
H7B1 H 0.5882 0.6753 0.7612 0.103 Uiso 1 calc R .
H7B2 H 0.6590 0.6075 0.6953 0.103 Uiso 1 calc R .
H7B3 H 0.5290 0.5363 0.7271 0.103 Uiso 1 calc R .
C8B C 0.2545(2) 0.5177(2) 0.65039(8) 0.0428(4) Uani 1 d . .
C9B C 0.1787(2) 0.4980(2) 0.69590(8) 0.0416(4) Uani 1 d . .
C10B C 0.0918(2) 0.4725(2) 0.75189(8) 0.0384(4) Uani 1 d . .
C11B C 0.1497(2) 0.4363(2) 0.81288(9) 0.0488(4) Uani 1 d . .
H11B H 0.2467 0.4294 0.81772 0.059 Uiso 1 calc R .
C12B C 0.0662(2) 0.4102(2) 0.86674(9) 0.0577(5) Uani 1 d . .
H12B H 0.1062 0.3853 0.90841 0.069 Uiso 1 calc R .
C13B C -0.0739(2) 0.4200(2) 0.86017(10) 0.0594(5) Uani 1 d . .
H13B H -0.1307 0.4009 0.89708 0.071 Uiso 1 calc R .
C14B C -0.1320(2) 0.4572(2) 0.80060(10) 0.0586(5) Uani 1 d . .
H14B H -0.2290 0.4651 0.79650 0.07 Uiso 1 calc R .
C15B C -0.0501(2) 0.4835(2) 0.74622(9) 0.0484(4) Uani 1 d . .
H15B H -0.0911 0.5092 0.70494 0.058 Uiso 1 calc R .
C16B C 0.5830(4) 0.2420(3) 0.61701(12) 0.1103(11) Uani 1 d . .
H16C H 0.5071 0.1808 0.62830 0.132 Uiso 1 calc R .
H16D H 0.5623 0.3330 0.63620 0.132 Uiso 1 calc R .
C17B C 0.7109(3) 0.1980(3) 0.64526(13) 0.0972(8) Uani 1 d . .
H17C H 0.6938 0.1279 0.67750 0.117 Uiso 1 calc R .
H17D H 0.7607 0.2739 0.66985 0.117 Uiso 1 calc R .
C18B C 0.7911(4) 0.1448(4) 0.5887(2) 0.1242(13) Uani 1 d . .
H18E H 0.8085 0.0485 0.5931 0.149 Uiso 1 calc R .
H18F H 0.8806 0.1929 0.5877 0.149 Uiso 1 calc R .
C19B C 0.7096(3) 0.1641(3) 0.52583(13) 0.1030(10) Uani 1 d . .
H19E H 0.7657 0.2107 0.49299 0.124 Uiso 1 calc R .
H19F H 0.6782 0.0766 0.50429 0.124 Uiso 1 calc R .
Li1B Li 0.5124(3) 0.3765(3) 0.49305(14) 0.0478(7) Uani 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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 '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 0.006 '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'
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
C19A O1A C16A 106.3(2) . . ?
C16A O1A C19C 109.3(5) . . ?
C19A O1A Li1A 124.8(2) . . ?
C16A O1A Li1A 125.48(14) . . ?
C19C O1A Li1A 106.5(6) . . ?
C1A N1A C2A 120.16(13) . . ?
C1A N1A Li1A 91.72(13) . . ?
C2A N1A Li1A 143.81(14) . . ?
C1A N2A C5A 118.40(13) . . ?
C1A N2A Li1A 125.69(14) . 2_655 ?
C5A N2A Li1A 112.34(14) . 2_655 ?
C1A N2A Li1A 79.77(12) . . ?
C5A N2A Li1A 144.2(2) . . ?
Li1A N2A Li1A 69.90(15) 2_655 . ?
N1A C1A N2A 119.09(13) . . ?
N1A C1A C8A 120.67(14) . . ?
N2A C1A C8A 120.24(14) . . ?
N1A C1A Li1A 55.28(11) . . ?
N2A C1A Li1A 67.40(11) . . ?
C8A C1A Li1A 159.44(14) . . ?
N1A C2A C3A 108.93(14) . . ?
N1A C2A C4A 110.77(15) . . ?
C3A C2A C4A 110.5(2) . . ?
N1A C2A H2A 108.9 . . ?
C3A C2A H2A 108.9 . . ?
C4A C2A H2A 108.9 . . ?
C2A C3A H3A1 109.5 . . ?
C2A C3A H3A2 109.5 . . ?
H3A1 C3A H3A2 109.5 . . ?
C2A C3A H3A3 109.5 . . ?
H3A1 C3A H3A3 109.5 . . ?
H3A2 C3A H3A3 109.5 . . ?
C2A C4A H4A1 109.5 . . ?
C2A C4A H4A2 109.5 . . ?
H4A1 C4A H4A2 109.5 . . ?
C2A C4A H4A3 109.5 . . ?
H4A1 C4A H4A3 109.5 . . ?
H4A2 C4A H4A3 109.5 . . ?
N2A C5A C6A 109.9(2) . . ?
N2A C5A C7A 111.0(2) . . ?
C6A C5A C7A 109.0(2) . . ?
N2A C5A H5A 109.0 . . ?
C6A C5A H5A 109.0 . . ?
C7A C5A H5A 109.0 . . ?
C5A C6A H6A1 109.5 . . ?
C5A C6A H6A2 109.5 . . ?
H6A1 C6A H6A2 109.5 . . ?
C5A C6A H6A3 109.5 . . ?
H6A1 C6A H6A3 109.5 . . ?
H6A2 C6A H6A3 109.5 . . ?
C5A C7A H7A1 109.5 . . ?
C5A C7A H7A2 109.5 . . ?
H7A1 C7A H7A2 109.5 . . ?
C5A C7A H7A3 109.5 . . ?
H7A1 C7A H7A3 109.5 . . ?
H7A2 C7A H7A3 109.5 . . ?
C9A C8A C1A 179.0(2) . . ?
C8A C9A C10A 178.7(2) . . ?
C11A C10A C15A 119.02(15) . . ?
C11A C10A C9A 119.95(14) . . ?
C15A C10A C9A 121.03(15) . . ?
C12A C11A C10A 120.6(2) . . ?
C12A C11A H11A 119.7 . . ?
C10A C11A H11A 119.7 . . ?
C13A C12A C11A 120.2(2) . . ?
C13A C12A H12A 119.9 . . ?
C11A C12A H12A 119.9 . . ?
C12A C13A C14A 120.2(2) . . ?
C12A C13A H13A 119.9 . . ?
C14A C13A H13A 119.9 . . ?
C13A C14A C15A 120.4(2) . . ?
C13A C14A H14A 119.8 . . ?
C15A C14A H14A 119.8 . . ?
C14A C15A C10A 119.6(2) . . ?
C14A C15A H15A 120.2 . . ?
C10A C15A H15A 120.2 . . ?
O1A C16A C17A 106.4(2) . . ?
O1A C16A H16A 110.4 . . ?
C17A C16A H16A 110.4 . . ?
O1A C16A H16B 110.4 . . ?
C17A C16A H16B 110.4 . . ?
H16A C16A H16B 108.6 . . ?
C18A C17A C16A 104.2(2) . . ?
C18A C17A H17A 110.9 . . ?
C16A C17A H17A 110.9 . . ?
C18A C17A H17B 110.9 . . ?
C16A C17A H17B 110.9 . . ?
H17A C17A H17B 108.9 . . ?
C19C C18A C17A 109.8(5) . . ?
C19A C18A C17A 105.2(2) . . ?
C19A C18A H18A 110.7 . . ?
C17A C18A H18A 110.7 . . ?
C19A C18A H18B 110.7 . . ?
C17A C18A H18B 110.7 . . ?
H18A C18A H18B 108.8 . . ?
C19C C18A H18C 109.7 . . ?
C17A C18A H18C 109.7 . . ?
C19C C18A H18D 109.7 . . ?
C17A C18A H18D 109.7 . . ?
H18C C18A H18D 108.2 . . ?
O1A C19A C18A 105.4(2) . . ?
O1A C19A H19A 110.7 . . ?
C18A C19A H19A 110.7 . . ?
O1A C19A H19B 110.7 . . ?
C18A C19A H19B 110.7 . . ?
H19A C19A H19B 108.8 . . ?
C18A C19C O1A 105.7(8) . . ?
C18A C19C H19C 110.6 . . ?
O1A C19C H19C 110.6 . . ?
C18A C19C H19D 110.6(9) . . ?
O1A C19C H19D 110.6(8) . . ?
H19C C19C H19D 108.7 . . ?
O1A Li1A N1A 118.9(2) . . ?
O1A Li1A N2A 112.16(15) . 2_655 ?
N1A Li1A N2A 126.1(2) . 2_655 ?
O1A Li1A N2A 113.2(2) . . ?
N1A Li1A N2A 64.51(10) . . ?
N2A Li1A N2A 110.10(15) 2_655 . ?
O1A Li1A C1A 114.32(14) . . ?
N1A Li1A C1A 33.00(7) . . ?
N2A Li1A C1A 130.1(2) 2_655 . ?
N2A Li1A C1A 32.83(7) . . ?
O1A Li1A Li1A 132.2(2) . 2_655 ?
N1A Li1A Li1A 95.3(2) . 2_655 ?
N2A Li1A Li1A 59.26(12) 2_655 2_655 ?
N2A Li1A Li1A 50.84(11) . 2_655 ?
C1A Li1A Li1A 76.26(14) . 2_655 ?
O1A Li1A C19C 31.7(3) . . ?
N1A Li1A C19C 147.8(3) . . ?
N2A Li1A C19C 86.1(3) 2_655 . ?
N2A Li1A C19C 108.7(4) . . ?
C1A Li1A C19C 128.3(4) . . ?
Li1A Li1A C19C 103.7(4) 2_655 . ?
C19B O1B C16B 108.5(2) . . ?
C19B O1B Li1B 125.6(2) . . ?
C16B O1B Li1B 122.5(2) . . ?
C1B N1B C2B 118.82(13) . . ?
C1B N1B Li1B 122.31(14) . . ?
C2B N1B Li1B 112.87(14) . . ?
C1B N1B Li1B 81.24(12) . 2_666 ?
C2B N1B Li1B 144.21(14) . 2_666 ?
Li1B N1B Li1B 70.95(13) . 2_666 ?
C1B N2B C5B 120.21(13) . . ?
C1B N2B Li1B 91.03(13) . 2_666 ?
C5B N2B Li1B 146.54(14) . 2_666 ?
N2B C1B N1B 119.11(13) . . ?
N2B C1B C8B 120.53(14) . . ?
N1B C1B C8B 120.35(14) . . ?
N2B C1B Li1B 55.86(11) . 2_666 ?
N1B C1B Li1B 65.54(11) . 2_666 ?
C8B C1B Li1B 165.21(13) . 2_666 ?
N1B C2B C4B 109.1(2) . . ?
N1B C2B C3B 110.7(2) . . ?
C4B C2B C3B 110.5(2) . . ?
N1B C2B H2B 108.8 . . ?
C4B C2B H2B 108.8 . . ?
C3B C2B H2B 108.8 . . ?
C2B C3B H3B1 109.5 . . ?
C2B C3B H3B2 109.5 . . ?
H3B1 C3B H3B2 109.5 . . ?
C2B C3B H3B3 109.5 . . ?
H3B1 C3B H3B3 109.5 . . ?
H3B2 C3B H3B3 109.5 . . ?
C2B C4B H4B1 109.5 . . ?
C2B C4B H4B2 109.5 . . ?
H4B1 C4B H4B2 109.5 . . ?
C2B C4B H4B3 109.5 . . ?
H4B1 C4B H4B3 109.5 . . ?
H4B2 C4B H4B3 109.5 . . ?
N2B C5B C6B 109.07(15) . . ?
N2B C5B C7B 110.70(15) . . ?
C6B C5B C7B 110.5(2) . . ?
N2B C5B H5B 108.8 . . ?
C6B C5B H5B 108.8 . . ?
C7B C5B H5B 108.8 . . ?
C5B C6B H6B1 109.5 . . ?
C5B C6B H6B2 109.5 . . ?
H6B1 C6B H6B2 109.5 . . ?
C5B C6B H6B3 109.5 . . ?
H6B1 C6B H6B3 109.5 . . ?
H6B2 C6B H6B3 109.5 . . ?
C5B C7B H7B1 109.5 . . ?
C5B C7B H7B2 109.5 . . ?
H7B1 C7B H7B2 109.5 . . ?
C5B C7B H7B3 109.5 . . ?
H7B1 C7B H7B3 109.5 . . ?
H7B2 C7B H7B3 109.5 . . ?
C9B C8B C1B 176.3(2) . . ?
C8B C9B C10B 178.0(2) . . ?
C11B C10B C15B 118.97(15) . . ?
C11B C10B C9B 119.91(15) . . ?
C15B C10B C9B 121.12(15) . . ?
C12B C11B C10B 120.1(2) . . ?
C12B C11B H11B 120.0 . . ?
C10B C11B H11B 120.0 . . ?
C13B C12B C11B 120.3(2) . . ?
C13B C12B H12B 119.8 . . ?
C11B C12B H12B 119.8 . . ?
C14B C13B C12B 120.1(2) . . ?
C14B C13B H13B 119.9 . . ?
C12B C13B H13B 119.9 . . ?
C13B C14B C15B 120.3(2) . . ?
C13B C14B H14B 119.8 . . ?
C15B C14B H14B 119.8 . . ?
C14B C15B C10B 120.2(2) . . ?
C14B C15B H15B 119.9 . . ?
C10B C15B H15B 119.9 . . ?
O1B C16B C17B 108.4(2) . . ?
O1B C16B H16C 110.0 . . ?
C17B C16B H16C 110.0 . . ?
O1B C16B H16D 110.0 . . ?
C17B C16B H16D 110.0 . . ?
H16C C16B H16D 108.4 . . ?
C16B C17B C18B 106.9(2) . . ?
C16B C17B H17C 110.3 . . ?
C18B C17B H17C 110.3 . . ?
C16B C17B H17D 110.3 . . ?
C18B C17B H17D 110.3 . . ?
H17C C17B H17D 108.6 . . ?
C17B C18B C19B 106.9(2) . . ?
C17B C18B H18E 110.3 . . ?
C19B C18B H18E 110.3 . . ?
C17B C18B H18F 110.3 . . ?
C19B C18B H18F 110.3 . . ?
H18E C18B H18F 108.6 . . ?
O1B C19B C18B 106.6(2) . . ?
O1B C19B H19E 110.4 . . ?
C18B C19B H19E 110.4 . . ?
O1B C19B H19F 110.4 . . ?
C18B C19B H19F 110.4 . . ?
H19E C19B H19F 108.6 . . ?
O1B Li1B N2B 119.39(15) . 2_666 ?
O1B Li1B N1B 113.72(14) . . ?
N2B Li1B N1B 123.0(2) 2_666 . ?
O1B Li1B N1B 115.1(2) . 2_666 ?
N2B Li1B N1B 65.47(10) 2_666 2_666 ?
N1B Li1B N1B 109.05(13) . 2_666 ?
O1B Li1B C1B 117.33(14) . 2_666 ?
N2B Li1B C1B 33.10(7) 2_666 2_666 ?
N1B Li1B C1B 126.65(14) . 2_666 ?
N1B Li1B C1B 33.22(6) 2_666 2_666 ?
O1B Li1B Li1B 135.4(2) . 2_666 ?
N2B Li1B Li1B 94.5(2) 2_666 2_666 ?
N1B Li1B Li1B 57.69(11) . 2_666 ?
N1B Li1B Li1B 51.36(11) 2_666 2_666 ?
C1B Li1B Li1B 75.24(14) 2_666 2_666 ?
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
O1A C19A 1.425(3) . ?
O1A C16A 1.431(2) . ?
O1A C19C 1.510(11) . ?
O1A Li1A 1.914(3) . ?
N1A C1A 1.320(2) . ?
N1A C2A 1.456(2) . ?
N1A Li1A 1.992(3) . ?
N2A C1A 1.335(2) . ?
N2A C5A 1.467(2) . ?
N2A Li1A 2.050(3) 2_655 ?
N2A Li1A 2.272(3) . ?
C1A C8A 1.470(2) . ?
C1A Li1A 2.422(3) . ?
C2A C3A 1.516(3) . ?
C2A C4A 1.523(3) . ?
C2A H2A 1 . ?
C3A H3A1 0.98 . ?
C3A H3A2 0.98 . ?
C3A H3A3 0.98 . ?
C4A H4A1 0.98 . ?
C4A H4A2 0.98 . ?
C4A H4A3 0.98 . ?
C5A C6A 1.492(3) . ?
C5A C7A 1.505(4) . ?
C5A H5A 1 . ?
C6A H6A1 0.98 . ?
C6A H6A2 0.98 . ?
C6A H6A3 0.98 . ?
C7A H7A1 0.98 . ?
C7A H7A2 0.98 . ?
C7A H7A3 0.98 . ?
C8A C9A 1.195(2) . ?
C9A C10A 1.440(2) . ?
C10A C11A 1.386(2) . ?
C10A C15A 1.390(2) . ?
C11A C12A 1.380(2) . ?
C11A H11A 0.95 . ?
C12A C13A 1.364(3) . ?
C12A H12A 0.95 . ?
C13A C14A 1.374(3) . ?
C13A H13A 0.95 . ?
C14A C15A 1.389(3) . ?
C14A H14A 0.95 . ?
C15A H15A 0.95 . ?
C16A C17A 1.519(3) . ?
C16A H16A 0.99 . ?
C16A H16B 0.99 . ?
C17A C18A 1.504(3) . ?
C17A H17A 0.99 . ?
C17A H17B 0.99 . ?
C18A C19C 1.380(11) . ?
C18A C19A 1.473(4) . ?
C18A H18A 0.99 . ?
C18A H18B 0.99 . ?
C18A H18C 0.99 . ?
C18A H18D 0.99 . ?
C19A H19A 0.99 . ?
C19A H19B 0.99 . ?
C19C Li1A 2.755(12) . ?
C19C H19C 0.99 . ?
C19C H19D 0.99 . ?
Li1A N2A 2.050(3) 2_655 ?
Li1A Li1A 2.483(7) 2_655 ?
O1B C19B 1.417(3) . ?
O1B C16B 1.420(3) . ?
O1B Li1B 1.919(3) . ?
N1B C1B 1.338(2) . ?
N1B C2B 1.469(2) . ?
N1B Li1B 2.053(3) . ?
N1B Li1B 2.222(3) 2_666 ?
N2B C1B 1.318(2) . ?
N2B C5B 1.460(2) . ?
N2B Li1B 1.997(3) 2_666 ?
C1B C8B 1.469(2) . ?
C1B Li1B 2.413(3) 2_666 ?
C2B C4B 1.513(3) . ?
C2B C3B 1.521(3) . ?
C2B H2B 1 . ?
C3B H3B1 0.98 . ?
C3B H3B2 0.98 . ?
C3B H3B3 0.98 . ?
C4B H4B1 0.98 . ?
C4B H4B2 0.98 . ?
C4B H4B3 0.98 . ?
C5B C6B 1.512(3) . ?
C5B C7B 1.515(3) . ?
C5B H5B 1 . ?
C6B H6B1 0.98 . ?
C6B H6B2 0.98 . ?
C6B H6B3 0.98 . ?
C7B H7B1 0.98 . ?
C7B H7B2 0.98 . ?
C7B H7B3 0.98 . ?
C8B C9B 1.197(2) . ?
C9B C10B 1.437(2) . ?
C10B C11B 1.387(2) . ?
C10B C15B 1.389(2) . ?
C11B C12B 1.385(3) . ?
C11B H11B 0.95 . ?
C12B C13B 1.371(3) . ?
C12B H12B 0.95 . ?
C13B C14B 1.367(3) . ?
C13B H13B 0.95 . ?
C14B C15B 1.385(2) . ?
C14B H14B 0.95 . ?
C15B H15B 0.95 . ?
C16B C17B 1.438(4) . ?
C16B H16C 0.99 . ?
C16B H16D 0.99 . ?
C17B C18B 1.453(4) . ?
C17B H17C 0.99 . ?
C17B H17D 0.99 . ?
C18B C19B 1.481(4) . ?
C18B H18E 0.99 . ?
C18B H18F 0.99 . ?
C19B H19E 0.99 . ?
C19B H19F 0.99 . ?
Li1B N2B 1.997(3) 2_666 ?
Li1B N1B 2.222(3) 2_666 ?
Li1B C1B 2.413(3) 2_666 ?
Li1B Li1B 2.485(6) 2_666 ?
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
C2A N1A C1A N2A -175.0(2) . . . . ?
Li1A N1A C1A N2A 23.0(2) . . . . ?
C2A N1A C1A C8A 6.0(2) . . . . ?
Li1A N1A C1A C8A -156.0(2) . . . . ?
C2A N1A C1A Li1A 162.0(2) . . . . ?
Li1A N1A C1A Li1A 0 . . . . ?
C5A N2A C1A N1A -167.4(2) . . . . ?
Li1A N2A C1A N1A 35.6(3) 2_655 . . . ?
Li1A N2A C1A N1A -20.4(2) . . . . ?
C5A N2A C1A C8A 11.6(3) . . . . ?
Li1A N2A C1A C8A -145.4(2) 2_655 . . . ?
Li1A N2A C1A C8A 158.6(2) . . . . ?
C5A N2A C1A Li1A -147.0(2) . . . . ?
Li1A N2A C1A Li1A 56.0(2) 2_655 . . . ?
Li1A N2A C1A Li1A 0 . . . . ?
C1A N1A C2A C3A -146.3(2) . . . . ?
Li1A N1A C2A C3A 2.2(3) . . . . ?
C1A N1A C2A C4A 91.9(2) . . . . ?
Li1A N1A C2A C4A -119.6(2) . . . . ?
C1A N2A C5A C6A 114.9(2) . . . . ?
Li1A N2A C5A C6A -85.2(2) 2_655 . . . ?
Li1A N2A C5A C6A 1.1(3) . . . . ?
C1A N2A C5A C7A -124.5(2) . . . . ?
Li1A N2A C5A C7A 35.5(2) 2_655 . . . ?
Li1A N2A C5A C7A 121.7(3) . . . . ?
C15A C10A C11A C12A -0.1(3) . . . . ?
C9A C10A C11A C12A 179.4(2) . . . . ?
C10A C11A C12A C13A 0.0(3) . . . . ?
C11A C12A C13A C14A 0.0(3) . . . . ?
C12A C13A C14A C15A 0.1(3) . . . . ?
C13A C14A C15A C10A -0.2(3) . . . . ?
C11A C10A C15A C14A 0.2(3) . . . . ?
C9A C10A C15A C14A -179.3(2) . . . . ?
C19A O1A C16A C17A 28.5(3) . . . . ?
C19C O1A C16A C17A -3.0(9) . . . . ?
Li1A O1A C16A C17A -131.3(2) . . . . ?
O1A C16A C17A C18A -9.5(2) . . . . ?
C16A C17A C18A C19C 20.1(10) . . . . ?
C16A C17A C18A C19A -12.1(3) . . . . ?
C16A O1A C19A C18A -36.7(4) . . . . ?
C19C O1A C19A C18A 63.9(9) . . . . ?
Li1A O1A C19A C18A 123.3(3) . . . . ?
C19C C18A C19A O1A -73.3(10) . . . . ?
C17A C18A C19A O1A 29.8(4) . . . . ?
C19A C18A C19C O1A 64.9(10) . . . . ?
C17A C18A C19C O1A -21.9(14) . . . . ?
C19A C18A C19C Li1A 92.8(17) . . . . ?
C17A C18A C19C Li1A 6(2) . . . . ?
C19A O1A C19C C18A -73.7(12) . . . . ?
C16A O1A C19C C18A 15.6(15) . . . . ?
Li1A O1A C19C C18A 153.8(10) . . . . ?
C19A O1A C19C Li1A 132.5(7) . . . . ?
C16A O1A C19C Li1A -138.1(5) . . . . ?
Li1A O1A C19C Li1A 0 . . . . ?
C19A O1A Li1A N1A 172.1(3) . . . . ?
C16A O1A Li1A N1A -31.7(3) . . . . ?
C19C O1A Li1A N1A -161.0(8) . . . . ?
C19A O1A Li1A N2A 10.1(3) . . . 2_655 ?
C16A O1A Li1A N2A 166.3(2) . . . 2_655 ?
C19C O1A Li1A N2A 37.0(8) . . . 2_655 ?
C19A O1A Li1A N2A -115.2(3) . . . . ?
C16A O1A Li1A N2A 41.0(3) . . . . ?
C19C O1A Li1A N2A -88.4(8) . . . . ?
C19A O1A Li1A C1A -151.2(3) . . . . ?
C16A O1A Li1A C1A 5.0(3) . . . . ?
C19C O1A Li1A C1A -124.3(8) . . . . ?
C19A O1A Li1A Li1A -57.8(4) . . . 2_655 ?
C16A O1A Li1A Li1A 98.3(3) . . . 2_655 ?
C19C O1A Li1A Li1A -31.0(8) . . . 2_655 ?
C19A O1A Li1A C19C -26.8(6) . . . . ?
C16A O1A Li1A C19C 129.3(8) . . . . ?
C19C O1A Li1A C19C 0 . . . . ?
C1A N1A Li1A O1A 90.7(2) . . . . ?
C2A N1A Li1A O1A -62.4(3) . . . . ?
C1A N1A Li1A N2A -110.0(2) . . . 2_655 ?
C2A N1A Li1A N2A 96.9(3) . . . 2_655 ?
C1A N1A Li1A N2A -12.84(10) . . . . ?
C2A N1A Li1A N2A -166.0(2) . . . . ?
C1A N1A Li1A C1A 0 . . . . ?
C2A N1A Li1A C1A -153.1(3) . . . . ?
C1A N1A Li1A Li1A -54.5(2) . . . 2_655 ?
C2A N1A Li1A Li1A 152.3(2) . . . 2_655 ?
C1A N1A Li1A C19C 72.0(9) . . . . ?
C2A N1A Li1A C19C -81.2(9) . . . . ?
C1A N2A Li1A O1A -99.4(2) . . . . ?
C5A N2A Li1A O1A 25.8(3) . . . . ?
Li1A N2A Li1A O1A 126.4(2) 2_655 . . . ?
C1A N2A Li1A N1A 12.90(10) . . . . ?
C5A N2A Li1A N1A 138.0(2) . . . . ?
Li1A N2A Li1A N1A -121.3(2) 2_655 . . . ?
C1A N2A Li1A N2A 134.2(2) . . . 2_655 ?
C5A N2A Li1A N2A -100.6(2) . . . 2_655 ?
Li1A N2A Li1A N2A 0 2_655 . . 2_655 ?
C1A N2A Li1A C1A 0 . . . . ?
C5A N2A Li1A C1A 125.2(3) . . . . ?
Li1A N2A Li1A C1A -134.2(2) 2_655 . . . ?
C1A N2A Li1A Li1A 134.2(2) . . . 2_655 ?
C5A N2A Li1A Li1A -100.6(2) . . . 2_655 ?
Li1A N2A Li1A Li1A 0 2_655 . . 2_655 ?
C1A N2A Li1A C19C -133.1(3) . . . . ?
C5A N2A Li1A C19C -7.9(4) . . . . ?
Li1A N2A Li1A C19C 92.7(3) 2_655 . . . ?
N1A C1A Li1A O1A -106.2(2) . . . . ?
N2A C1A Li1A O1A 95.5(2) . . . . ?
C8A C1A Li1A O1A -20.8(5) . . . . ?
N1A C1A Li1A N1A 0 . . . . ?
N2A C1A Li1A N1A -158.3(2) . . . . ?
C8A C1A Li1A N1A 85.4(4) . . . . ?
N1A C1A Li1A N2A 96.7(2) . . . 2_655 ?
N2A C1A Li1A N2A -61.6(2) . . . 2_655 ?
C8A C1A Li1A N2A -177.9(3) . . . 2_655 ?
N1A C1A Li1A N2A 158.3(2) . . . . ?
N2A C1A Li1A N2A 0 . . . . ?
C8A C1A Li1A N2A -116.3(4) . . . . ?
N1A C1A Li1A Li1A 123.4(2) . . . 2_655 ?
N2A C1A Li1A Li1A -34.90(14) . . . 2_655 ?
C8A C1A Li1A Li1A -151.2(4) . . . 2_655 ?
N1A C1A Li1A C19C -139.8(5) . . . . ?
N2A C1A Li1A C19C 61.9(5) . . . . ?
C8A C1A Li1A C19C -54.4(7) . . . . ?
C18A C19C Li1A O1A -42.6(14) . . . . ?
O1A C19C Li1A O1A 0 . . . . ?
C18A C19C Li1A N1A -10(3) . . . . ?
O1A C19C Li1A N1A 32.3(13) . . . . ?
C18A C19C Li1A N2A 171(2) . . . 2_655 ?
O1A C19C Li1A N2A -146.1(7) . . . 2_655 ?
C18A C19C Li1A N2A 61(2) . . . . ?
O1A C19C Li1A N2A 104.0(7) . . . . ?
C18A C19C Li1A C1A 31(2) . . . . ?
O1A C19C Li1A C1A 73.7(9) . . . . ?
C18A C19C Li1A Li1A 114.3(19) . . . 2_655 ?
O1A C19C Li1A Li1A 156.9(6) . . . 2_655 ?
C5B N2B C1B N1B -174.39(15) . . . . ?
Li1B N2B C1B N1B 18.2(2) 2_666 . . . ?
C5B N2B C1B C8B 4.4(2) . . . . ?
Li1B N2B C1B C8B -163.0(2) 2_666 . . . ?
C5B N2B C1B Li1B 167.4(2) . . . 2_666 ?
Li1B N2B C1B Li1B 0 2_666 . . 2_666 ?
C2B N1B C1B N2B -164.9(2) . . . . ?
Li1B N1B C1B N2B 44.3(2) . . . . ?
Li1B N1B C1B N2B -16.5(2) 2_666 . . . ?
C2B N1B C1B C8B 16.3(2) . . . . ?
Li1B N1B C1B C8B -134.5(2) . . . . ?
Li1B N1B C1B C8B 164.7(2) 2_666 . . . ?
C2B N1B C1B Li1B -148.4(2) . . . 2_666 ?
Li1B N1B C1B Li1B 60.8(2) . . . 2_666 ?
Li1B N1B C1B Li1B 0 2_666 . . 2_666 ?
C1B N1B C2B C4B 123.5(2) . . . . ?
Li1B N1B C2B C4B -83.1(2) . . . . ?
Li1B N1B C2B C4B 5.7(3) 2_666 . . . ?
C1B N1B C2B C3B -114.7(2) . . . . ?
Li1B N1B C2B C3B 38.7(2) . . . . ?
Li1B N1B C2B C3B 127.5(2) 2_666 . . . ?
C1B N2B C5B C6B -148.1(2) . . . . ?
Li1B N2B C5B C6B 8.7(3) 2_666 . . . ?
C1B N2B C5B C7B 90.1(2) . . . . ?
Li1B N2B C5B C7B -113.1(3) 2_666 . . . ?
C15B C10B C11B C12B 0.8(3) . . . . ?
C9B C10B C11B C12B -179.3(2) . . . . ?
C10B C11B C12B C13B -0.1(3) . . . . ?
C11B C12B C13B C14B -0.8(3) . . . . ?
C12B C13B C14B C15B 0.8(3) . . . . ?
C13B C14B C15B C10B -0.1(3) . . . . ?
C11B C10B C15B C14B -0.7(3) . . . . ?
C9B C10B C15B C14B 179.4(2) . . . . ?
C19B O1B C16B C17B 17.1(4) . . . . ?
Li1B O1B C16B C17B -143.2(2) . . . . ?
O1B C16B C17B C18B -11.8(4) . . . . ?
C16B C17B C18B C19B 2.5(4) . . . . ?
C16B O1B C19B C18B -15.1(4) . . . . ?
Li1B O1B C19B C18B 144.3(3) . . . . ?
C17B C18B C19B O1B 7.7(4) . . . . ?
C19B O1B Li1B N2B 19.9(3) . . . 2_666 ?
C16B O1B Li1B N2B 176.6(2) . . . 2_666 ?
C19B O1B Li1B N1B 178.2(2) . . . . ?
C16B O1B Li1B N1B -25.0(3) . . . . ?
C19B O1B Li1B N1B -54.9(3) . . . 2_666 ?
C16B O1B Li1B N1B 101.8(3) . . . 2_666 ?
C19B O1B Li1B C1B -17.8(3) . . . 2_666 ?
C16B O1B Li1B C1B 138.9(2) . . . 2_666 ?
C19B O1B Li1B Li1B -114.5(3) . . . 2_666 ?
C16B O1B Li1B Li1B 42.3(4) . . . 2_666 ?
C1B N1B Li1B O1B 64.1(2) . . . . ?
C2B N1B Li1B O1B -88.2(2) . . . . ?
Li1B N1B Li1B O1B 130.0(2) 2_666 . . . ?
C1B N1B Li1B N2B -138.4(2) . . . 2_666 ?
C2B N1B Li1B N2B 69.2(2) . . . 2_666 ?
Li1B N1B Li1B N2B -72.6(2) 2_666 . . 2_666 ?
C1B N1B Li1B N1B -65.9(2) . . . 2_666 ?
C2B N1B Li1B N1B 141.8(2) . . . 2_666 ?
Li1B N1B Li1B N1B 0 2_666 . . 2_666 ?
C1B N1B Li1B C1B -98.1(2) . . . 2_666 ?
C2B N1B Li1B C1B 109.6(2) . . . 2_666 ?
Li1B N1B Li1B C1B -32.20(11) 2_666 . . 2_666 ?
C1B N1B Li1B Li1B -65.9(2) . . . 2_666 ?
C2B N1B Li1B Li1B 141.8(2) . . . 2_666 ?
Li1B N1B Li1B Li1B 0 2_666 . . 2_666 ?
