#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:16:34 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179746 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/42/7004289.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_7004289
loop_
_publ_author_name
'Chase, Preston A.'
'Lutz, Martin'
'Spek, Anthony L.'
'Gossage, Robert A.'
'van Koten, Gerard'
_publ_section_title
;
 Solid-state and solution structures of hetero-aggregates formed
 between nBuLi and NCN pincer aryl lithium
;
_journal_issue                   42
_journal_name_full               'Dalton Transactions'
_journal_page_first              5783
_journal_page_last               5790
_journal_paper_doi               10.1039/b805092a
_journal_year                    2008
_chemical_formula_moiety         'C24 H38 Li2 N4'
_chemical_formula_sum            'C24 H38 Li2 N4'
_chemical_formula_weight         396.46
_chemical_name_systematic
;
?
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 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                 102.196(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   41.945(2)
_cell_length_b                   10.4363(4)
_cell_length_c                   17.8074(5)
_cell_measurement_reflns_used    19344
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      21.00
_cell_measurement_theta_min      1.99
_cell_volume                     7619.3(5)
_computing_cell_refinement       Peakref
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'Pixel15, Sadabs'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXD
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0651
_diffrn_reflns_av_sigmaI/netI    0.0508
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            42242
_diffrn_reflns_theta_full        21.01
_diffrn_reflns_theta_max         21.01
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    0.060
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.44
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.037
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2592
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.51
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.317
_refine_diff_density_min         -0.223
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     838
_refine_ls_number_reflns         8191
_refine_ls_number_restraints     1176
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0878
_refine_ls_R_factor_gt           0.0706
_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)+(0.0960P)²+5.5250P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1681
_refine_ls_wR_factor_ref         0.1823
_reflns_number_gt                6888
_reflns_number_total             8191
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b805092a.txt
_cod_data_source_block           s3709a
_cod_original_cell_volume        7619.4(5)
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               7004289
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, 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
N11 N 0.30540(11) 0.6854(4) 0.3967(2) 0.0510(13) Uani 1 1 d DU . .
N12 N 0.35322(8) 0.9449(4) 0.1676(2) 0.0399(11) Uani 1 1 d DU . .
N13 N 0.30107(9) 1.1118(4) 0.2729(2) 0.0458(12) Uani 1 1 d DU . .
N14 N 0.39144(10) 0.7460(4) 0.42536(19) 0.0466(12) Uani 1 1 d DU . .
C11 C 0.31869(10) 0.7530(4) 0.2441(3) 0.0378(13) Uani 1 1 d DU . .
C12 C 0.29229(10) 0.6776(4) 0.2542(2) 0.0421(14) Uani 1 1 d DU . .
C13 C 0.27809(12) 0.5862(5) 0.2006(3) 0.0613(18) Uani 1 1 d DU . .
H13 H 0.2603 0.5368 0.2097 0.074 Uiso 1 1 calc R . .
C14 C 0.28958(13) 0.5662(5) 0.1339(3) 0.0608(17) Uani 1 1 d DU . .
H14 H 0.2797 0.5045 0.0971 0.073 Uiso 1 1 calc R . .
C15 C 0.31570(12) 0.6383(5) 0.1226(3) 0.0481(15) Uani 1 1 d DU . .
H15 H 0.3242 0.6252 0.0777 0.058 Uiso 1 1 calc R . .
C16 C 0.32975(10) 0.7298(4) 0.1760(2) 0.0388(14) Uani 1 1 d DU . .
C17 C 0.27937(12) 0.7006(6) 0.3264(3) 0.0534(16) Uani 1 1 d DU . .
H17A H 0.2703 0.7883 0.3251 0.064 Uiso 1 1 calc R . .
H17B H 0.2615 0.6393 0.3281 0.064 Uiso 1 1 calc R . .
C18 C 0.31402(16) 0.5494(4) 0.4077(4) 0.0696(19) Uani 1 1 d DU . .
H18A H 0.2948 0.5004 0.4136 0.104 Uiso 1 1 calc R . .
H18B H 0.3313 0.5394 0.4539 0.104 Uiso 1 1 calc R . .
H18C H 0.3218 0.5176 0.3629 0.104 Uiso 1 1 calc R . .
C19 C 0.29422(17) 0.7338(6) 0.4641(3) 0.074(2) Uani 1 1 d DU . .
H19A H 0.2919 0.8271 0.4605 0.111 Uiso 1 1 calc R . .
H19B H 0.3102 0.7113 0.5108 0.111 Uiso 1 1 calc R . .
H19C H 0.2731 0.6951 0.4659 0.111 Uiso 1 1 calc R . .
C110 C 0.35896(12) 0.8047(4) 0.1637(3) 0.0410(14) Uani 1 1 d DU . .
H11A H 0.3783 0.7806 0.2035 0.049 Uiso 1 1 calc R . .
H11B H 0.3635 0.7829 0.1129 0.049 Uiso 1 1 calc R . .
C111 C 0.32999(12) 0.9872(6) 0.0985(2) 0.0535(16) Uani 1 1 d DU . .
H11C H 0.3262 1.0795 0.1018 0.080 Uiso 1 1 calc R . .
H11D H 0.3093 0.9412 0.0945 0.080 Uiso 1 1 calc R . .
H11E H 0.3389 0.9691 0.0530 0.080 Uiso 1 1 calc R . .
C112 C 0.38421(11) 1.0136(6) 0.1746(4) 0.0591(17) Uani 1 1 d DU . .
H11F H 0.3932 0.9970 0.1291 0.089 Uiso 1 1 calc R . .
H11G H 0.3996 0.9840 0.2206 0.089 Uiso 1 1 calc R . .
H11H H 0.3805 1.1058 0.1788 0.089 Uiso 1 1 calc R . .
C113 C 0.35775(10) 0.9923(4) 0.3842(2) 0.0319(13) Uani 1 1 d DU . .
C114 C 0.34239(11) 1.1080(4) 0.3946(2) 0.0387(13) Uani 1 1 d DU . .
C115 C 0.35829(14) 1.2080(5) 0.4380(3) 0.0517(16) Uani 1 1 d DU . .
H115 H 0.3469 1.2849 0.4437 0.062 Uiso 1 1 calc R . .
C116 C 0.39077(14) 1.1953(6) 0.4729(3) 0.0571(17) Uani 1 1 d DU . .
H116 H 0.4019 1.2641 0.5021 0.068 Uiso 1 1 calc R . .
C117 C 0.40699(13) 1.0827(5) 0.4655(3) 0.0485(16) Uani 1 1 d DU . .
H117 H 0.4291 1.0724 0.4910 0.058 Uiso 1 1 calc R . .
C118 C 0.39073(11) 0.9843(4) 0.4205(2) 0.0364(14) Uani 1 1 d DU . .
C119 C 0.30667(12) 1.1203(6) 0.3582(3) 0.0518(16) Uani 1 1 d DU . .
H11I H 0.2944 1.0513 0.3776 0.062 Uiso 1 1 calc R . .
H11J H 0.2984 1.2035 0.3728 0.062 Uiso 1 1 calc R . .
C120 C 0.31268(16) 1.2298(4) 0.2428(3) 0.0613(18) Uani 1 1 d DU . .
H12A H 0.3010 1.3034 0.2580 0.092 Uiso 1 1 calc R . .
H12B H 0.3087 1.2251 0.1866 0.092 Uiso 1 1 calc R . .
H12C H 0.3361 1.2397 0.2637 0.092 Uiso 1 1 calc R . .
C121 C 0.26621(9) 1.0923(7) 0.2410(4) 0.078(2) Uani 1 1 d DU . .
H12D H 0.2591 1.0116 0.2604 0.117 Uiso 1 1 calc R . .
H12E H 0.2624 1.0890 0.1848 0.117 Uiso 1 1 calc R . .
H12F H 0.2537 1.1634 0.2564 0.117 Uiso 1 1 calc R . .
C122 C 0.40917(12) 0.8625(5) 0.4100(3) 0.0464(15) Uani 1 1 d DU . .
H12G H 0.4126 0.8591 0.3567 0.056 Uiso 1 1 calc R . .
H12H H 0.4309 0.8643 0.4452 0.056 Uiso 1 1 calc R . .
C123 C 0.40749(16) 0.6326(5) 0.4016(4) 0.072(2) Uani 1 1 d DU . .
H12I H 0.4298 0.6266 0.4322 0.107 Uiso 1 1 calc R . .
H12J H 0.4081 0.6399 0.3470 0.107 Uiso 1 1 calc R . .
H12K H 0.3953 0.5556 0.4096 0.107 Uiso 1 1 calc R . .
C124 C 0.39167(15) 0.7395(6) 0.5078(2) 0.0538(16) Uani 1 1 d DU . .
H12L H 0.4142 0.7367 0.5370 0.081 Uiso 1 1 calc R . .
H12M H 0.3801 0.6621 0.5185 0.081 Uiso 1 1 calc R . .
H12N H 0.3808 0.8153 0.5229 0.081 Uiso 1 1 calc R . .
Li11 Li 0.3438(2) 0.7893(8) 0.3641(5) 0.040(2) Uani 1 1 d U . .
Li12 Li 0.3319(2) 0.9531(9) 0.2641(5) 0.042(2) Uani 1 1 d U . .
N21 N 0.89866(9) 0.2672(3) 0.47327(18) 0.0391(11) Uani 1 1 d DU . .
N22 N 0.79957(8) -0.0806(4) 0.5104(2) 0.0426(11) Uani 1 1 d DU . .
N23 N 0.84301(8) 0.0770(4) 0.6783(2) 0.0437(12) Uani 1 1 d DU . .
N24 N 0.81789(9) 0.3521(3) 0.39893(18) 0.0364(11) Uani 1 1 d DU . .
C21 C 0.86074(11) 0.0278(4) 0.4726(2) 0.0328(13) Uani 1 1 d DU . .
C22 C 0.89435(10) 0.0312(4) 0.4736(2) 0.0321(13) Uani 1 1 d DU . .
C23 C 0.91049(13) -0.0679(5) 0.4448(2) 0.0433(14) Uani 1 1 d DU . .
H23 H 0.9332 -0.0616 0.4462 0.052 Uiso 1 1 calc R . .
C24 C 0.89332(13) -0.1756(5) 0.4140(3) 0.0468(15) Uani 1 1 d DU . .
H24 H 0.9042 -0.2441 0.3947 0.056 Uiso 1 1 calc R . .
C25 C 0.86038(13) -0.1827(5) 0.4118(2) 0.0409(14) Uani 1 1 d DU . .
H25 H 0.8484 -0.2564 0.3909 0.049 Uiso 1 1 calc R . .
C26 C 0.84456(11) -0.0823(4) 0.4398(2) 0.0356(13) Uani 1 1 d DU . .
C27 C 0.91361(12) 0.1476(4) 0.5079(3) 0.0401(14) Uani 1 1 d DU . .
H27A H 0.9147 0.1495 0.5640 0.048 Uiso 1 1 calc R . .
H27B H 0.9362 0.1412 0.4996 0.048 Uiso 1 1 calc R . .
C28 C 0.90174(14) 0.2742(5) 0.3928(2) 0.0493(15) Uani 1 1 d DU . .
H28A H 0.9249 0.2728 0.3905 0.074 Uiso 1 1 calc R . .
H28B H 0.8918 0.3537 0.3698 0.074 Uiso 1 1 calc R . .
H28C H 0.8906 0.2007 0.3645 0.074 Uiso 1 1 calc R . .
C29 C 0.91494(14) 0.3782(4) 0.5153(3) 0.0573(17) Uani 1 1 d DU . .
H29A H 0.9382 0.3768 0.5139 0.086 Uiso 1 1 calc R . .
H29B H 0.9125 0.3746 0.5688 0.086 Uiso 1 1 calc R . .
H29C H 0.9050 0.4572 0.4914 0.086 Uiso 1 1 calc R . .
C210 C 0.80845(12) -0.0882(5) 0.4338(3) 0.0470(15) Uani 1 1 d DU . .
H21A H 0.7980 -0.0166 0.4013 0.056 Uiso 1 1 calc R . .
H21B H 0.8000 -0.1694 0.4085 0.056 Uiso 1 1 calc R . .
C211 C 0.81042(16) -0.1991(4) 0.5523(3) 0.0642(18) Uani 1 1 d DU . .
H21C H 0.7987 -0.2722 0.5248 0.096 Uiso 1 1 calc R . .
H21D H 0.8058 -0.1943 0.6040 0.096 Uiso 1 1 calc R . .
H21E H 0.8339 -0.2101 0.5562 0.096 Uiso 1 1 calc R . .
C212 C 0.76426(9) -0.0638(7) 0.5018(4) 0.0682(19) Uani 1 1 d DU . .
H21F H 0.7576 0.0171 0.4753 0.102 Uiso 1 1 calc R . .
H21G H 0.7588 -0.0624 0.5526 0.102 Uiso 1 1 calc R . .
H21H H 0.7528 -0.1351 0.4717 0.102 Uiso 1 1 calc R . .
C213 C 0.82008(10) 0.2776(4) 0.5622(2) 0.0336(13) Uani 1 1 d DU . .
C214 C 0.82755(9) 0.3015(4) 0.6419(2) 0.0345(13) Uani 1 1 d DU . .
C215 C 0.81384(10) 0.4025(4) 0.6753(3) 0.0391(13) Uani 1 1 d DU . .
H215 H 0.8196 0.4147 0.7293 0.047 Uiso 1 1 calc R . .
C216 C 0.79193(11) 0.4854(5) 0.6304(3) 0.0407(14) Uani 1 1 d DU . .
H216 H 0.7826 0.5545 0.6530 0.049 Uiso 1 1 calc R . .
C217 C 0.78388(11) 0.4651(4) 0.5517(3) 0.0402(14) Uani 1 1 d DU . .
H217 H 0.7689 0.5211 0.5202 0.048 Uiso 1 1 calc R . .
C218 C 0.79749(10) 0.3634(4) 0.5182(2) 0.0367(13) Uani 1 1 d DU . .
C219 C 0.85216(12) 0.2138(4) 0.6910(3) 0.0424(14) Uani 1 1 d DU . .
H21I H 0.8738 0.2279 0.6788 0.051 Uiso 1 1 calc R . .
H21J H 0.8538 0.2353 0.7458 0.051 Uiso 1 1 calc R . .
C220 C 0.81394(12) 0.0499(6) 0.7092(3) 0.0627(18) Uani 1 1 d DU . .
H22A H 0.8187 0.0667 0.7646 0.094 Uiso 1 1 calc R . .
H22B H 0.8077 -0.0401 0.6999 0.094 Uiso 1 1 calc R . .
H22C H 0.7960 0.1050 0.6838 0.094 Uiso 1 1 calc R . .
C221 C 0.87040(14) -0.0047(6) 0.7147(3) 0.0682(19) Uani 1 1 d DU . .
H22D H 0.8895 0.0152 0.6933 0.102 Uiso 1 1 calc R . .
H22E H 0.8644 -0.0949 0.7050 0.102 Uiso 1 1 calc R . .
H22F H 0.8756 0.0111 0.7702 0.102 Uiso 1 1 calc R . .
C222 C 0.78880(11) 0.3424(5) 0.4325(2) 0.0369(13) Uani 1 1 d DU . .
H22G H 0.7788 0.2566 0.4215 0.044 Uiso 1 1 calc R . .
H22H H 0.7726 0.4072 0.4086 0.044 Uiso 1 1 calc R . .
C223 C 0.81042(14) 0.3077(5) 0.3190(2) 0.0497(15) Uani 1 1 d DU . .
H22I H 0.8031 0.2183 0.3172 0.075 Uiso 1 1 calc R . .
H22J H 0.8300 0.3141 0.2974 0.075 Uiso 1 1 calc R . .
H22K H 0.7931 0.3610 0.2888 0.075 Uiso 1 1 calc R . .
C224 C 0.82855(13) 0.4862(3) 0.4015(3) 0.0451(14) Uani 1 1 d DU . .
H22L H 0.8109 0.5395 0.3727 0.068 Uiso 1 1 calc R . .
H22M H 0.8477 0.4936 0.3785 0.068 Uiso 1 1 calc R . .
H22N H 0.8341 0.5152 0.4551 0.068 Uiso 1 1 calc R . .
Li21 Li 0.8499(2) 0.2341(8) 0.4761(4) 0.035(2) Uani 1 1 d U . .
Li22 Li 0.8303(2) 0.0720(8) 0.5575(4) 0.039(2) Uani 1 1 d U . .
N31 N 0.97266(9) 0.3573(3) 0.81471(18) 0.0347(11) Uani 1 1 d DU . .
N32 N 0.98241(8) 0.8159(3) 0.6494(2) 0.0382(11) Uani 1 1 d DU . .
C31 C 0.95530(10) 0.5866(4) 0.7139(2) 0.0300(12) Uani 1 1 d DU . .
C32 C 0.93364(10) 0.5220(4) 0.7523(2) 0.0293(12) Uani 1 1 d DU . .
C33 C 0.90021(10) 0.5228(4) 0.7262(3) 0.0364(14) Uani 1 1 d DU . .
H33 H 0.8867 0.4776 0.7539 0.044 Uiso 1 1 calc R . .
C34 C 0.88605(12) 0.5893(5) 0.6594(3) 0.0453(15) Uani 1 1 d DU . .
H34 H 0.8631 0.5902 0.6412 0.054 Uiso 1 1 calc R . .
C35 C 0.90639(11) 0.6537(4) 0.6207(3) 0.0397(14) Uani 1 1 d DU . .
H35 H 0.8972 0.7006 0.5756 0.048 Uiso 1 1 calc R . .
C36 C 0.93996(10) 0.6516(4) 0.6461(2) 0.0310(12) Uani 1 1 d DU . .
C37 C 0.94856(12) 0.4555(5) 0.8266(3) 0.0406(14) Uani 1 1 d DU . .
H37A H 0.9595 0.5196 0.8644 0.049 Uiso 1 1 calc R . .
H37B H 0.9311 0.4141 0.8478 0.049 Uiso 1 1 calc R . .
C38 C 0.95636(13) 0.2515(4) 0.7674(3) 0.0497(16) Uani 1 1 d DU . .
H38A H 0.9725 0.1869 0.7612 0.075 Uiso 1 1 calc R . .
H38B H 0.9456 0.2844 0.7169 0.075 Uiso 1 1 calc R . .
H38C H 0.9401 0.2127 0.7926 0.075 Uiso 1 1 calc R . .
C39 C 0.98967(13) 0.3064(6) 0.8892(2) 0.0513(15) Uani 1 1 d DU . .
H39A H 0.9739 0.2650 0.9148 0.077 Uiso 1 1 calc R . .
H39B H 1.0005 0.3767 0.9213 0.077 Uiso 1 1 calc R . .
H39C H 1.0060 0.2436 0.8813 0.077 Uiso 1 1 calc R . .
C310 C 0.96167(11) 0.7201(5) 0.6012(3) 0.0379(13) Uani 1 1 d DU . .
H31A H 0.9757 0.6569 0.5821 0.045 Uiso 1 1 calc R . .
H31B H 0.9480 0.7633 0.5561 0.045 Uiso 1 1 calc R . .
C311 C 0.96203(13) 0.9189(4) 0.6700(4) 0.0547(16) Uani 1 1 d DU . .
H31C H 0.9760 0.9832 0.7010 0.082 Uiso 1 1 calc R . .
H31D H 0.9469 0.8832 0.6996 0.082 Uiso 1 1 calc R . .
H31E H 0.9496 0.9591 0.6231 0.082 Uiso 1 1 calc R . .
C312 C 1.00598(13) 0.8690(6) 0.6075(3) 0.0639(18) Uani 1 1 d DU . .
H31F H 1.0205 0.8008 0.5971 0.096 Uiso 1 1 calc R . .
H31G H 1.0189 0.9359 0.6386 0.096 Uiso 1 1 calc R . .
H31H H 0.9943 0.9060 0.5588 0.096 Uiso 1 1 calc R . .
Li31 Li 1.0000 0.4721(11) 0.7500 0.035(3) Uani 1 2 d SU . .
Li32 Li 1.0000 0.7039(10) 0.7500 0.034(3) Uani 1 2 d SU . .
N41 N 0.48288(8) 0.1996(3) 0.3354(2) 0.0386(11) Uani 1 1 d DU . .
N42 N 0.47487(9) 0.6477(4) 0.1552(2) 0.0428(12) Uani 1 1 d DU . .
C41 C 0.45571(11) 0.4219(4) 0.2385(2) 0.0358(13) Uani 1 1 d DU . .
C42 C 0.43952(10) 0.3605(4) 0.2904(2) 0.0333(13) Uani 1 1 d DU . .
C43 C 0.40612(11) 0.3616(4) 0.2830(3) 0.0415(14) Uani 1 1 d DU . .
H43 H 0.3965 0.3184 0.3196 0.050 Uiso 1 1 calc R . .
C44 C 0.38677(13) 0.4259(5) 0.2220(3) 0.0470(15) Uani 1 1 d DU . .
H44 H 0.3637 0.4272 0.2163 0.056 Uiso 1 1 calc R . .
C45 C 0.40147(11) 0.4885(5) 0.1693(3) 0.0399(14) Uani 1 1 d DU . .
H45 H 0.3884 0.5340 0.1276 0.048 Uiso 1 1 calc R . .
C46 C 0.43487(10) 0.4847(4) 0.1771(2) 0.0310(13) Uani 1 1 d DU . .
C47 C 0.46081(12) 0.2953(5) 0.3596(3) 0.0413(14) Uani 1 1 d DU . .
H47A H 0.4740 0.3607 0.3926 0.050 Uiso 1 1 calc R . .
H47B H 0.4468 0.2522 0.3901 0.050 Uiso 1 1 calc R . .
C48 C 0.46376(13) 0.0909(4) 0.2977(3) 0.0536(16) Uani 1 1 d DU . .
H48A H 0.4532 0.0474 0.3347 0.080 Uiso 1 1 calc R . .
H48B H 0.4782 0.0308 0.2790 0.080 Uiso 1 1 calc R . .
H48C H 0.4471 0.1220 0.2544 0.080 Uiso 1 1 calc R . .
C49 C 0.50694(13) 0.1540(6) 0.4021(3) 0.0576(17) Uani 1 1 d DU . .
H49A H 0.4957 0.1116 0.4382 0.086 Uiso 1 1 calc R . .
H49B H 0.5195 0.2268 0.4276 0.086 Uiso 1 1 calc R . .
H49C H 0.5217 0.0930 0.3852 0.086 Uiso 1 1 calc R . .
C410 C 0.45066(11) 0.5504(5) 0.1186(3) 0.0369(13) Uani 1 1 d DU . .
H41A H 0.4617 0.4855 0.0923 0.044 Uiso 1 1 calc R . .
H41B H 0.4336 0.5924 0.0793 0.044 Uiso 1 1 calc R . .
C411 C 0.45770(13) 0.7545(4) 0.1828(3) 0.0516(16) Uani 1 1 d DU . .
H41C H 0.4424 0.7931 0.1393 0.077 Uiso 1 1 calc R . .
H41D H 0.4736 0.8191 0.2069 0.077 Uiso 1 1 calc R . .
H41E H 0.4456 0.7228 0.2204 0.077 Uiso 1 1 calc R . .
C412 C 0.49398(14) 0.6934(6) 0.1005(3) 0.0612(18) Uani 1 1 d DU . .
H41F H 0.5067 0.6223 0.0859 0.092 Uiso 1 1 calc R . .
H41G H 0.5088 0.7615 0.1243 0.092 Uiso 1 1 calc R . .
H41H H 0.4792 0.7270 0.0546 0.092 Uiso 1 1 calc R . .
Li41 Li 0.5000 0.3058(12) 0.2500 0.037(3) Uani 1 2 d SU . .
Li42 Li 0.5000 0.5376(11) 0.2500 0.036(3) Uani 1 2 d SU . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
C19 N11 C18 109.6(5) . . ?
C19 N11 C17 110.3(4) . . ?
C18 N11 C17 109.5(4) . . ?
C19 N11 Li11 116.1(4) . . ?
C18 N11 Li11 110.6(4) . . ?
C17 N11 Li11 100.4(4) . . ?
C112 N12 C111 110.1(4) . . ?
C112 N12 C110 109.6(4) . . ?
C111 N12 C110 110.1(4) . . ?
C112 N12 Li12 115.6(4) . . ?
C111 N12 Li12 110.6(4) . . ?
C110 N12 Li12 100.3(4) . . ?
C121 N13 C120 110.8(5) . . ?
C121 N13 C119 109.5(4) . . ?
C120 N13 C119 109.2(4) . . ?
C121 N13 Li12 115.8(4) . . ?
C120 N13 Li12 111.8(4) . . ?
C119 N13 Li12 98.9(4) . . ?
C124 N14 C123 110.2(5) . . ?
C124 N14 C122 109.0(4) . . ?
C123 N14 C122 109.2(4) . . ?
C124 N14 Li11 109.3(4) . . ?
C123 N14 Li11 117.7(4) . . ?
C122 N14 Li11 100.7(4) . . ?
C12 C11 C16 115.3(4) . . ?
C12 C11 Li12 134.5(4) . . ?
C16 C11 Li12 100.8(4) . . ?
C12 C11 Li11 101.6(4) . . ?
C16 C11 Li11 133.4(4) . . ?
Li12 C11 Li11 67.9(3) . . ?
C13 C12 C11 122.2(4) . . ?
C13 C12 C17 120.8(4) . . ?
C11 C12 C17 117.0(4) . . ?
C14 C13 C12 121.0(5) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C15 C14 C13 118.3(5) . . ?
C15 C14 H14 120.9 . . ?
C13 C14 H14 120.9 . . ?
C14 C15 C16 120.7(5) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 H15 119.6 . . ?
C15 C16 C11 122.6(4) . . ?
C15 C16 C110 119.9(4) . . ?
C11 C16 C110 117.5(4) . . ?
N11 C17 C12 111.5(4) . . ?
N11 C17 H17A 109.3 . . ?
C12 C17 H17A 109.3 . . ?
N11 C17 H17B 109.3 . . ?
C12 C17 H17B 109.3 . . ?
H17A C17 H17B 108.0 . . ?
N11 C18 H18A 109.5 . . ?
N11 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N11 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N11 C19 H19A 109.5 . . ?
N11 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
N11 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N12 C110 C16 111.1(4) . . ?
N12 C110 Li12 48.0(3) . . ?
C16 C110 Li12 75.0(3) . . ?
N12 C110 H11A 109.4 . . ?
C16 C110 H11A 109.4 . . ?
Li12 C110 H11A 93.7 . . ?
N12 C110 H11B 109.4 . . ?
C16 C110 H11B 109.4 . . ?
Li12 C110 H11B 154.0 . . ?
H11A C110 H11B 108.0 . . ?
N12 C111 H11C 109.5 . . ?
N12 C111 H11D 109.5 . . ?
H11C C111 H11D 109.5 . . ?
N12 C111 H11E 109.5 . . ?
H11C C111 H11E 109.5 . . ?
H11D C111 H11E 109.5 . . ?
N12 C112 H11F 109.5 . . ?
N12 C112 H11G 109.5 . . ?
H11F C112 H11G 109.5 . . ?
N12 C112 H11H 109.5 . . ?
H11F C112 H11H 109.5 . . ?
H11G C112 H11H 109.5 . . ?
C114 C113 C118 115.4(4) . . ?
C114 C113 Li11 137.4(4) . . ?
C118 C113 Li11 102.7(4) . . ?
C114 C113 Li12 98.1(4) . . ?
C118 C113 Li12 131.8(4) . . ?
Li11 C113 Li12 66.9(3) . . ?
C115 C114 C113 122.9(5) . . ?
C115 C114 C119 119.6(5) . . ?
C113 C114 C119 117.4(4) . . ?
C115 C114 Li12 151.1(3) . . ?
C113 C114 Li12 52.1(3) . . ?
C119 C114 Li12 74.0(3) . . ?
C116 C115 C114 119.6(5) . . ?
C116 C115 H115 120.2 . . ?
C114 C115 H115 120.2 . . ?
C115 C116 C117 119.9(5) . . ?
C115 C116 H116 120.0 . . ?
C117 C116 H116 120.0 . . ?
C116 C117 C118 119.6(5) . . ?
C116 C117 H117 120.2 . . ?
C118 C117 H117 120.2 . . ?
C117 C118 C113 122.6(5) . . ?
C117 C118 C122 119.3(4) . . ?
C113 C118 C122 118.2(4) . . ?
N13 C119 C114 111.2(4) . . ?
N13 C119 Li12 49.2(3) . . ?
C114 C119 Li12 74.6(3) . . ?
N13 C119 H11I 109.4 . . ?
C114 C119 H11I 109.4 . . ?
Li12 C119 H11I 92.8 . . ?
N13 C119 H11J 109.4 . . ?
C114 C119 H11J 109.4 . . ?
Li12 C119 H11J 155.3 . . ?
H11I C119 H11J 108.0 . . ?
N13 C120 H12A 109.5 . . ?
N13 C120 H12B 109.5 . . ?
H12A C120 H12B 109.5 . . ?
N13 C120 H12C 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 109.5 . . ?
N13 C121 H12D 109.5 . . ?
N13 C121 H12E 109.5 . . ?
H12D C121 H12E 109.5 . . ?
N13 C121 H12F 109.5 . . ?
H12D C121 H12F 109.5 . . ?
H12E C121 H12F 109.5 . . ?
N14 C122 C118 112.0(4) . . ?
N14 C122 H12G 109.2 . . ?
C118 C122 H12G 109.2 . . ?
N14 C122 H12H 109.2 . . ?
C118 C122 H12H 109.2 . . ?
H12G C122 H12H 107.9 . . ?
N14 C123 H12I 109.5 . . ?
N14 C123 H12J 109.5 . . ?
H12I C123 H12J 109.5 . . ?
N14 C123 H12K 109.5 . . ?
H12I C123 H12K 109.5 . . ?
H12J C123 H12K 109.5 . . ?
N14 C124 H12L 109.5 . . ?
N14 C124 H12M 109.5 . . ?
H12L C124 H12M 109.5 . . ?
N14 C124 H12N 109.5 . . ?
H12L C124 H12N 109.5 . . ?
H12M C124 H12N 109.5 . . ?
N14 Li11 N11 116.1(4) . . ?
N14 Li11 C11 131.9(4) . . ?
N11 Li11 C11 86.7(3) . . ?
N14 Li11 C113 86.1(3) . . ?
N11 Li11 C113 129.6(4) . . ?
C11 Li11 C113 112.2(4) . . ?
N14 Li11 Li12 123.4(4) . . ?
N11 Li11 Li12 120.5(4) . . ?
C11 Li11 Li12 55.4(3) . . ?
C113 Li11 Li12 56.8(3) . . ?
N12 Li12 N13 117.6(4) . . ?
N12 Li12 C11 88.0(4) . . ?
N13 Li12 C11 128.5(4) . . ?
N12 Li12 C113 126.2(4) . . ?
N13 Li12 C113 88.0(3) . . ?
C11 Li12 C113 113.0(4) . . ?
N12 Li12 Li11 120.8(5) . . ?
N13 Li12 Li11 121.5(4) . . ?
C11 Li12 Li11 56.8(3) . . ?
C113 Li12 Li11 56.2(3) . . ?
N12 Li12 C119 143.3(5) . . ?
N13 Li12 C119 31.94(17) . . ?
C11 Li12 C119 125.8(4) . . ?
C113 Li12 C119 58.3(2) . . ?
Li11 Li12 C119 92.5(4) . . ?
N12 Li12 C110 31.73(18) . . ?
N13 Li12 C110 144.9(4) . . ?
C11 Li12 C110 58.9(2) . . ?
C113 Li12 C110 122.6(4) . . ?
Li11 Li12 C110 91.8(4) . . ?
C119 Li12 C110 174.9(4) . . ?
N12 Li12 C114 133.4(4) . . ?
N13 Li12 C114 58.5(2) . . ?
C11 Li12 C114 133.2(4) . . ?
C113 Li12 C114 29.79(17) . . ?
Li11 Li12 C114 80.0(3) . . ?
C119 Li12 C114 31.40(15) . . ?
C110 Li12 C114 147.7(4) . . ?
C28 N21 C29 109.4(4) . . ?
C28 N21 C27 109.5(4) . . ?
C29 N21 C27 110.1(4) . . ?
C28 N21 Li21 108.7(4) . . ?
C29 N21 Li21 118.1(4) . . ?
C27 N21 Li21 100.5(3) . . ?
C212 N22 C211 110.5(5) . . ?
C212 N22 C210 110.7(4) . . ?
C211 N22 C210 108.1(4) . . ?
C212 N22 Li22 118.1(4) . . ?
C211 N22 Li22 109.7(4) . . ?
C210 N22 Li22 98.9(4) . . ?
C221 N23 C220 111.0(5) . . ?
C221 N23 C219 109.8(4) . . ?
C220 N23 C219 109.7(4) . . ?
C221 N23 Li22 116.2(4) . . ?
C220 N23 Li22 109.1(4) . . ?
C219 N23 Li22 100.4(4) . . ?
C223 N24 C224 109.5(4) . . ?
C223 N24 C222 110.3(4) . . ?
C224 N24 C222 109.0(4) . . ?
C223 N24 Li21 115.1(4) . . ?
C224 N24 Li21 112.9(4) . . ?
C222 N24 Li21 99.5(3) . . ?
C26 C21 C22 115.0(4) . . ?
C26 C21 Li21 136.9(4) . . ?
C22 C21 Li21 100.8(4) . . ?
C26 C21 Li22 99.0(4) . . ?
C22 C21 Li22 134.7(3) . . ?
Li21 C21 Li22 68.1(3) . . ?
C23 C22 C21 122.7(4) . . ?
C23 C22 C27 119.0(4) . . ?
C21 C22 C27 118.2(4) . . ?
C24 C23 C22 119.8(5) . . ?
C24 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?
C25 C24 C23 119.4(5) . . ?
C25 C24 H24 120.3 . . ?
C23 C24 H24 120.3 . . ?
C24 C25 C26 120.2(5) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C25 C26 C21 122.9(4) . . ?
C25 C26 C210 119.7(4) . . ?
C21 C26 C210 117.3(4) . . ?
N21 C27 C22 111.6(4) . . ?
N21 C27 Li21 47.9(3) . . ?
C22 C27 Li21 76.6(3) . . ?
N21 C27 H27A 109.3 . . ?
C22 C27 H27A 109.3 . . ?
Li21 C27 H27A 92.2 . . ?
N21 C27 H27B 109.3 . . ?
C22 C27 H27B 109.3 . . ?
Li21 C27 H27B 154.8 . . ?
H27A C27 H27B 108.0 . . ?
N21 C28 H28A 109.5 . . ?
N21 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
N21 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N21 C29 H29A 109.5 . . ?
N21 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
N21 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N22 C210 C26 112.2(4) . . ?
N22 C210 Li22 48.9(3) . . ?
C26 C210 Li22 75.9(3) . . ?
N22 C210 H21A 109.2 . . ?
C26 C210 H21A 109.2 . . ?
Li22 C210 H21A 92.3 . . ?
N22 C210 H21B 109.2 . . ?
C26 C210 H21B 109.2 . . ?
Li22 C210 H21B 155.3 . . ?
H21A C210 H21B 107.9 . . ?
N22 C211 H21C 109.5 . . ?
N22 C211 H21D 109.5 . . ?
H21C C211 H21D 109.5 . . ?
N22 C211 H21E 109.5 . . ?
H21C C211 H21E 109.5 . . ?
H21D C211 H21E 109.5 . . ?
N22 C212 H21F 109.5 . . ?
N22 C212 H21G 109.5 . . ?
H21F C212 H21G 109.5 . . ?
N22 C212 H21H 109.5 . . ?
H21F C212 H21H 109.5 . . ?
H21G C212 H21H 109.5 . . ?
C214 C213 C218 115.2(4) . . ?
C214 C213 Li22 102.1(3) . . ?
C218 C213 Li22 135.4(4) . . ?
C214 C213 Li21 133.9(3) . . ?
C218 C213 Li21 98.9(3) . . ?
Li22 C213 Li21 68.3(3) . . ?
C215 C214 C213 122.7(4) . . ?
C215 C214 C219 120.3(4) . . ?
C213 C214 C219 117.0(4) . . ?
C216 C215 C214 120.6(4) . . ?
C216 C215 H215 119.7 . . ?
C214 C215 H215 119.7 . . ?
C217 C216 C215 118.6(5) . . ?
C217 C216 H216 120.7 . . ?
C215 C216 H216 120.7 . . ?
C216 C217 C218 120.9(5) . . ?
C216 C217 H217 119.6 . . ?
C218 C217 H217 119.6 . . ?
C217 C218 C213 122.0(4) . . ?
C217 C218 C222 120.6(4) . . ?
C213 C218 C222 117.4(4) . . ?
N23 C219 C214 111.8(4) . . ?
N23 C219 Li22 48.0(3) . . ?
C214 C219 Li22 76.5(3) . . ?
N23 C219 H21I 109.3 . . ?
C214 C219 H21I 109.3 . . ?
Li22 C219 H21I 92.4 . . ?
N23 C219 H21J 109.3 . . ?
C214 C219 H21J 109.3 . . ?
Li22 C219 H21J 154.7 . . ?
H21I C219 H21J 107.9 . . ?
N23 C220 H22A 109.5 . . ?
N23 C220 H22B 109.5 . . ?
H22A C220 H22B 109.5 . . ?
N23 C220 H22C 109.5 . . ?
H22A C220 H22C 109.5 . . ?
H22B C220 H22C 109.5 . . ?
N23 C221 H22D 109.5 . . ?
N23 C221 H22E 109.5 . . ?
H22D C221 H22E 109.5 . . ?
N23 C221 H22F 109.5 . . ?
H22D C221 H22F 109.5 . . ?
H22E C221 H22F 109.5 . . ?
N24 C222 C218 110.9(3) . . ?
N24 C222 Li21 48.8(3) . . ?
C218 C222 Li21 76.3(3) . . ?
N24 C222 H22G 109.5 . . ?
C218 C222 H22G 109.5 . . ?
Li21 C222 H22G 90.7 . . ?
N24 C222 H22H 109.5 . . ?
C218 C222 H22H 109.5 . . ?
Li21 C222 H22H 156.2 . . ?
H22G C222 H22H 108.0 . . ?
N24 C223 H22I 109.5 . . ?
N24 C223 H22J 109.5 . . ?
H22I C223 H22J 109.5 . . ?
N24 C223 H22K 109.5 . . ?
H22I C223 H22K 109.5 . . ?
H22J C223 H22K 109.5 . . ?
N24 C224 H22L 109.5 . . ?
N24 C224 H22M 109.5 . . ?
H22L C224 H22M 109.5 . . ?
N24 C224 H22N 109.5 . . ?
H22L C224 H22N 109.5 . . ?
H22M C224 H22N 109.5 . . ?
N21 Li21 N24 112.4(4) . . ?
N21 Li21 C21 87.3(3) . . ?
N24 Li21 C21 131.3(4) . . ?
N21 Li21 C213 132.9(4) . . ?
N24 Li21 C213 87.5(3) . . ?
C21 Li21 C213 111.6(4) . . ?
N21 Li21 Li22 125.1(4) . . ?
N24 Li21 Li22 122.5(4) . . ?
C21 Li21 Li22 56.3(3) . . ?
C213 Li21 Li22 55.3(3) . . ?
N21 Li21 C222 141.5(4) . . ?
N24 Li21 C222 31.74(17) . . ?
C21 Li21 C222 125.3(4) . . ?
C213 Li21 C222 59.0(2) . . ?
Li22 Li21 C222 92.4(3) . . ?
N21 Li21 C27 31.59(17) . . ?
N24 Li21 C27 141.3(4) . . ?
C21 Li21 C27 59.4(2) . . ?
C213 Li21 C27 125.9(3) . . ?
Li22 Li21 C27 94.7(3) . . ?
C222 Li21 C27 172.9(4) . . ?
N23 Li22 N22 115.2(4) . . ?
N23 Li22 C213 86.9(3) . . ?
N22 Li22 C213 130.2(4) . . ?
N23 Li22 C21 130.0(4) . . ?
N22 Li22 C21 87.9(3) . . ?
C213 Li22 C21 112.0(4) . . ?
N23 Li22 Li21 122.5(4) . . ?
N22 Li22 Li21 122.2(4) . . ?
C213 Li22 Li21 56.4(3) . . ?
C21 Li22 Li21 55.6(3) . . ?
N23 Li22 C210 143.0(4) . . ?
N22 Li22 C210 32.18(17) . . ?
C213 Li22 C210 126.0(4) . . ?
C21 Li22 C210 58.3(2) . . ?
Li21 Li22 C210 92.4(3) . . ?
N23 Li22 C219 31.58(17) . . ?
N22 Li22 C219 143.5(4) . . ?
C213 Li22 C219 58.6(2) . . ?
C21 Li22 C219 123.9(4) . . ?
Li21 Li22 C219 92.7(3) . . ?
C210 Li22 C219 174.6(4) . . ?
C38 N31 C39 109.0(4) . . ?
C38 N31 C37 110.6(4) . . ?
C39 N31 C37 109.6(4) . . ?
C38 N31 Li31 110.3(4) . . ?
C39 N31 Li31 118.2(3) . . ?
C37 N31 Li31 98.5(3) . . ?
C311 N32 C312 109.9(4) . . ?
C311 N32 C310 109.8(4) . . ?
C312 N32 C310 109.8(4) . . ?
C311 N32 Li32 107.9(3) . . ?
C312 N32 Li32 118.9(3) . . ?
C310 N32 Li32 100.0(4) . . ?
C36 C31 C32 114.6(4) . . ?
C36 C31 Li31 135.6(3) . . ?
C32 C31 Li31 101.2(3) . . ?
C36 C31 Li32 100.8(3) . . ?
C32 C31 Li32 135.4(3) . . ?
Li31 C31 Li32 66.4(4) . . ?
C33 C32 C31 123.0(4) . . ?
C33 C32 C37 120.1(4) . . ?
C31 C32 C37 116.9(4) . . ?
C32 C33 C34 120.5(4) . . ?
C32 C33 H33 119.7 . . ?
C34 C33 H33 119.7 . . ?
C35 C34 C33 118.1(5) . . ?
C35 C34 H34 121.0 . . ?
C33 C34 H34 121.0 . . ?
C34 C35 C36 121.5(5) . . ?
C34 C35 H35 119.3 . . ?
C36 C35 H35 119.3 . . ?
C35 C36 C31 122.3(4) . . ?
C35 C36 C310 120.2(4) . . ?
C31 C36 C310 117.5(4) . . ?
N31 C37 C32 111.1(3) . . ?
N31 C37 H37A 109.4 . . ?
C32 C37 H37A 109.4 . . ?
N31 C37 H37B 109.4 . . ?
C32 C37 H37B 109.4 . . ?
H37A C37 H37B 108.0 . . ?
N31 C38 H38A 109.5 . . ?
N31 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
N31 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
N31 C39 H39A 109.5 . . ?
N31 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
N31 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
N32 C310 C36 111.0(3) . . ?
N32 C310 H31A 109.4 . . ?
C36 C310 H31A 109.4 . . ?
N32 C310 H31B 109.4 . . ?
C36 C310 H31B 109.4 . . ?
H31A C310 H31B 108.0 . . ?
N32 C311 H31C 109.5 . . ?
N32 C311 H31D 109.5 . . ?
H31C C311 H31D 109.5 . . ?
N32 C311 H31E 109.5 . . ?
H31C C311 H31E 109.5 . . ?
H31D C311 H31E 109.5 . . ?
N32 C312 H31F 109.5 . . ?
N32 C312 H31G 109.5 . . ?
H31F C312 H31G 109.5 . . ?
N32 C312 H31H 109.5 . . ?
H31F C312 H31H 109.5 . . ?
H31G C312 H31H 109.5 . . ?
N31 Li31 N31 112.4(5) . 2_756 ?
N31 Li31 C31 131.52(13) . 2_756 ?
N31 Li31 C31 86.61(14) 2_756 2_756 ?
N31 Li31 C31 86.61(14) . . ?
N31 Li31 C31 131.52(13) 2_756 . ?
C31 Li31 C31 114.3(5) 2_756 . ?
N31 Li31 Li32 123.8(3) . . ?
N31 Li31 Li32 123.8(3) 2_756 . ?
C31 Li31 Li32 57.1(3) 2_756 . ?
C31 Li31 Li32 57.1(3) . . ?
N32 Li32 N32 113.6(5) 2_756 . ?
N32 Li32 C31 86.45(14) 2_756 2_756 ?
N32 Li32 C31 131.77(13) . 2_756 ?
N32 Li32 C31 131.78(13) 2_756 . ?
N32 Li32 C31 86.45(14) . . ?
C31 Li32 C31 113.0(5) 2_756 . ?
N32 Li32 Li31 123.2(3) 2_756 . ?
N32 Li32 Li31 123.2(3) . . ?
C31 Li32 Li31 56.5(3) 2_756 . ?
C31 Li32 Li31 56.5(3) . . ?
C49 N41 C48 109.6(4) . . ?
C49 N41 C47 110.3(4) . . ?
C48 N41 C47 109.8(4) . . ?
C49 N41 Li41 118.1(3) . . ?
C48 N41 Li41 108.1(4) . . ?
C47 N41 Li41 100.5(4) . . ?
C412 N42 C411 110.5(4) . . ?
C412 N42 C410 110.4(4) . . ?
C411 N42 C410 109.2(4) . . ?
C412 N42 Li42 117.0(3) . . ?
C411 N42 Li42 110.0(4) . . ?
C410 N42 Li42 99.1(4) . . ?
C46 C41 C42 114.4(4) . . ?
C46 C41 Li42 101.0(3) . . ?
C42 C41 Li42 134.9(3) . . ?
C46 C41 Li41 134.8(3) . . ?
C42 C41 Li41 101.7(3) . . ?
Li42 C41 Li41 67.0(4) . . ?
C43 C42 C41 123.6(4) . . ?
C43 C42 C47 119.5(4) . . ?
C41 C42 C47 116.9(4) . . ?
C42 C43 C44 119.7(5) . . ?
C42 C43 H43 120.2 . . ?
C44 C43 H43 120.2 . . ?
C43 C44 C45 119.2(5) . . ?
C43 C44 H44 120.4 . . ?
C45 C44 H44 120.4 . . ?
C46 C45 C44 120.3(5) . . ?
C46 C45 H45 119.9 . . ?
C44 C45 H45 119.9 . . ?
C45 C46 C41 122.9(4) . . ?
C45 C46 C410 120.0(4) . . ?
C41 C46 C410 117.1(4) . . ?
N41 C47 C42 111.2(4) . . ?
N41 C47 H47A 109.4 . . ?
C42 C47 H47A 109.4 . . ?
N41 C47 H47B 109.4 . . ?
C42 C47 H47B 109.4 . . ?
H47A C47 H47B 108.0 . . ?
N41 C48 H48A 109.5 . . ?
N41 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
N41 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
N41 C49 H49A 109.5 . . ?
N41 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
N41 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
N42 C410 C46 111.4(3) . . ?
N42 C410 Li42 49.1(3) . . ?
C46 C410 Li42 75.8(3) . . ?
N42 C410 H41A 109.4 . . ?
C46 C410 H41A 109.4 . . ?
Li42 C410 H41A 91.5 . . ?
N42 C410 H41B 109.4 . . ?
C46 C410 H41B 109.4 . . ?
Li42 C410 H41B 155.9 . . ?
H41A C410 H41B 108.0 . . ?
N42 C411 H41C 109.5 . . ?
N42 C411 H41D 109.5 . . ?
H41C C411 H41D 109.5 . . ?
N42 C411 H41E 109.5 . . ?
H41C C411 H41E 109.5 . . ?
H41D C411 H41E 109.5 . . ?
N42 C412 H41F 109.5 . . ?
N42 C412 H41G 109.5 . . ?
H41F C412 H41G 109.5 . . ?
N42 C412 H41H 109.5 . . ?
H41F C412 H41H 109.5 . . ?
H41G C412 H41H 109.5 . . ?
N41 Li41 N41 117.1(6) . 2_655 ?
N41 Li41 C41 86.98(15) . . ?
N41 Li41 C41 129.01(14) 2_655 . ?
N41 Li41 C41 129.01(14) . 2_655 ?
N41 Li41 C41 86.98(15) 2_655 2_655 ?
C41 Li41 C41 112.9(6) . 2_655 ?
N41 Li41 Li42 121.4(3) . . ?
N41 Li41 Li42 121.4(3) 2_655 . ?
C41 Li41 Li42 56.4(3) . . ?
C41 Li41 Li42 56.4(3) 2_655 . ?
N42 Li42 N42 114.6(6) . 2_655 ?
N42 Li42 C41 87.43(15) . . ?
N42 Li42 C41 129.84(14) 2_655 . ?
N42 Li42 C41 129.84(14) . 2_655 ?
N42 Li42 C41 87.43(15) 2_655 2_655 ?
C41 Li42 C41 113.0(5) . 2_655 ?
N42 Li42 Li41 122.7(3) . . ?
N42 Li42 Li41 122.7(3) 2_655 . ?
C41 Li42 Li41 56.5(3) . . ?
C41 Li42 Li41 56.5(3) 2_655 . ?
N42 Li42 C410 31.86(13) . . ?
N42 Li42 C410 142.9(5) 2_655 . ?
C41 Li42 C410 58.78(15) . . ?
C41 Li42 C410 124.8(3) 2_655 . ?
Li41 Li42 C410 92.7(3) . . ?
N42 Li42 C410 142.9(5) . 2_655 ?
N42 Li42 C410 31.86(13) 2_655 2_655 ?
C41 Li42 C410 124.8(3) . 2_655 ?
C41 Li42 C410 58.77(15) 2_655 2_655 ?
Li41 Li42 C410 92.7(3) . 2_655 ?
C410 Li42 C410 174.5(5) . 2_655 ?
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
N11 C19 1.4671(14) . ?
N11 C18 1.4672(14) . ?
N11 C17 1.485(5) . ?
N11 Li11 2.121(10) . ?
N12 C112 1.4668(14) . ?
N12 C111 1.4670(14) . ?
N12 C110 1.486(5) . ?
N12 Li12 2.099(9) . ?
N13 C121 1.4669(14) . ?
N13 C120 1.4672(14) . ?
N13 C119 1.488(5) . ?
N13 Li12 2.129(10) . ?
N14 C124 1.4671(14) . ?
N14 C123 1.4672(14) . ?
N14 C122 1.481(5) . ?
N14 Li11 2.114(9) . ?
C11 C12 1.401(5) . ?
C11 C16 1.409(5) . ?
C11 Li12 2.171(10) . ?
C11 Li11 2.206(9) . ?
C12 C13 1.391(5) . ?
C12 C17 1.517(5) . ?
C13 C14 1.388(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.379(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.388(5) . ?
C15 H15 0.9500 . ?
C16 C110 1.508(5) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C110 Li12 2.781(10) . ?
C110 H11A 0.9900 . ?
C110 H11B 0.9900 . ?
C111 H11C 0.9800 . ?
C111 H11D 0.9800 . ?
C111 H11E 0.9800 . ?
C112 H11F 0.9800 . ?
C112 H11G 0.9800 . ?
C112 H11H 0.9800 . ?
C113 C114 1.400(5) . ?
C113 C118 1.400(5) . ?
C113 Li11 2.207(10) . ?
C113 Li12 2.222(9) . ?
C114 C115 1.383(5) . ?
C114 C119 1.507(5) . ?
C114 Li12 2.789(9) . ?
C115 C116 1.379(5) . ?
C115 H115 0.9500 . ?
C116 C117 1.379(5) . ?
C116 H116 0.9500 . ?
C117 C118 1.390(5) . ?
C117 H117 0.9500 . ?
C118 C122 1.520(5) . ?
C119 Li12 2.780(10) . ?
C119 H11I 0.9900 . ?
C119 H11J 0.9900 . ?
C120 H12A 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?
C121 H12D 0.9800 . ?
C121 H12E 0.9800 . ?
C121 H12F 0.9800 . ?
C122 H12G 0.9900 . ?
C122 H12H 0.9900 . ?
C123 H12I 0.9800 . ?
C123 H12J 0.9800 . ?
C123 H12K 0.9800 . ?
C124 H12L 0.9800 . ?
C124 H12M 0.9800 . ?
C124 H12N 0.9800 . ?
Li11 Li12 2.443(12) . ?
N21 C28 1.4670(14) . ?
N21 C29 1.4670(14) . ?
N21 C27 1.473(5) . ?
N21 Li21 2.086(9) . ?
N22 C212 1.4669(14) . ?
N22 C211 1.4672(14) . ?
N22 C210 1.489(5) . ?
N22 Li22 2.109(9) . ?
N23 C221 1.4669(14) . ?
N23 C220 1.4670(14) . ?
N23 C219 1.484(5) . ?
N23 Li22 2.106(9) . ?
N24 C223 1.4671(14) . ?
N24 C224 1.4672(14) . ?
N24 C222 1.471(5) . ?
N24 Li21 2.104(9) . ?
C21 C26 1.397(5) . ?
C21 C22 1.407(5) . ?
C21 Li21 2.204(9) . ?
C21 Li22 2.222(9) . ?
C22 C23 1.392(5) . ?
C22 C27 1.515(5) . ?
C23 C24 1.384(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.376(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.389(5) . ?
C25 H25 0.9500 . ?
C26 C210 1.497(5) . ?
C27 Li21 2.764(10) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C210 Li22 2.763(9) . ?
C210 H21A 0.9900 . ?
C210 H21B 0.9900 . ?
C211 H21C 0.9800 . ?
C211 H21D 0.9800 . ?
C211 H21E 0.9800 . ?
C212 H21F 0.9800 . ?
C212 H21G 0.9800 . ?
C212 H21H 0.9800 . ?
C213 C214 1.409(5) . ?
C213 C218 1.415(5) . ?
C213 Li22 2.193(10) . ?
C213 Li21 2.221(9) . ?
C214 C215 1.392(5) . ?
C214 C219 1.512(5) . ?
C215 C216 1.386(5) . ?
C215 H215 0.9500 . ?
C216 C217 1.386(5) . ?
C216 H216 0.9500 . ?
C217 C218 1.398(5) . ?
C217 H217 0.9500 . ?
C218 C222 1.508(5) . ?
C219 Li22 2.787(9) . ?
C219 H21I 0.9900 . ?
C219 H21J 0.9900 . ?
C220 H22A 0.9800 . ?
C220 H22B 0.9800 . ?
C220 H22C 0.9800 . ?
C221 H22D 0.9800 . ?
C221 H22E 0.9800 . ?
C221 H22F 0.9800 . ?
C222 Li21 2.758(10) . ?
C222 H22G 0.9900 . ?
C222 H22H 0.9900 . ?
C223 H22I 0.9800 . ?
C223 H22J 0.9800 . ?
C223 H22K 0.9800 . ?
C224 H22L 0.9800 . ?
C224 H22M 0.9800 . ?
C224 H22N 0.9800 . ?
Li21 Li22 2.477(12) . ?
N31 C38 1.4671(14) . ?
N31 C39 1.4671(14) . ?
N31 C37 1.486(5) . ?
N31 Li31 2.153(7) . ?
N32 C311 1.4670(14) . ?
N32 C312 1.4671(14) . ?
N32 C310 1.476(5) . ?
N32 Li32 2.136(7) . ?
C31 C36 1.416(5) . ?
C31 C32 1.417(5) . ?
C31 Li31 2.202(7) . ?
C31 Li32 2.218(7) . ?
C32 C33 1.381(5) . ?
C32 C37 1.509(5) . ?
C33 C34 1.397(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.380(5) . ?
C34 H34 0.9500 . ?
C35 C36 1.385(5) . ?
C35 H35 0.9500 . ?
C36 C310 1.514(5) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C310 H31A 0.9900 . ?
C310 H31B 0.9900 . ?
C311 H31C 0.9800 . ?
C311 H31D 0.9800 . ?
C311 H31E 0.9800 . ?
C312 H31F 0.9800 . ?
C312 H31G 0.9800 . ?
C312 H31H 0.9800 . ?
Li31 N31 2.153(7) 2_756 ?
Li31 C31 2.202(7) 2_756 ?
Li31 Li32 2.419(16) . ?
Li32 N32 2.136(7) 2_756 ?
Li32 C31 2.218(7) 2_756 ?
N41 C49 1.4670(14) . ?
N41 C48 1.4670(14) . ?
N41 C47 1.486(5) . ?
N41 Li41 2.125(7) . ?
N42 C412 1.4670(14) . ?
N42 C411 1.4672(14) . ?
N42 C410 1.486(5) . ?
N42 Li42 2.128(7) . ?
C41 C46 1.409(5) . ?
C41 C42 1.412(5) . ?
C41 Li42 2.188(8) . ?
C41 Li41 2.191(8) . ?
C42 C43 1.379(5) . ?
C42 C47 1.520(5) . ?
C43 C44 1.384(5) . ?
C43 H43 0.9500 . ?
C44 C45 1.391(5) . ?
C44 H44 0.9500 . ?
C45 C46 1.379(5) . ?
C45 H45 0.9500 . ?
C46 C410 1.513(5) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C410 Li42 2.781(5) . ?
C410 H41A 0.9900 . ?
C410 H41B 0.9900 . ?
C411 H41C 0.9800 . ?
C411 H41D 0.9800 . ?
C411 H41E 0.9800 . ?
C412 H41F 0.9800 . ?
C412 H41G 0.9800 . ?
C412 H41H 0.9800 . ?
Li41 N41 2.125(7) 2_655 ?
Li41 C41 2.191(8) 2_655 ?
Li41 Li42 2.418(17) . ?
Li42 N42 2.128(7) 2_655 ?
Li42 C41 2.188(8) 2_655 ?
Li42 C410 2.781(5) 2_655 ?
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
C16 C11 C12 C13 0.1(2) . . . . ?
Li12 C11 C12 C13 139.1(5) . . . . ?
Li11 C11 C12 C13 -150.7(3) . . . . ?
C16 C11 C12 C17 -179.3(4) . . . . ?
Li12 C11 C12 C17 -40.3(6) . . . . ?
Li11 C11 C12 C17 29.9(4) . . . . ?
C11 C12 C13 C14 -0.3(2) . . . . ?
C17 C12 C13 C14 179.1(5) . . . . ?
C12 C13 C14 C15 0.7(5) . . . . ?
C13 C14 C15 C16 -1.0(6) . . . . ?
C14 C15 C16 C11 0.8(6) . . . . ?
C14 C15 C16 C110 178.1(4) . . . . ?
C12 C11 C16 C15 -0.4(5) . . . . ?
Li12 C11 C16 C15 -151.9(4) . . . . ?
Li11 C11 C16 C15 138.5(5) . . . . ?
C12 C11 C16 C110 -177.7(4) . . . . ?
Li12 C11 C16 C110 30.8(4) . . . . ?
Li11 C11 C16 C110 -38.9(6) . . . . ?
C19 N11 C17 C12 168.2(4) . . . . ?
C18 N11 C17 C12 -71.1(6) . . . . ?
Li11 N11 C17 C12 45.2(5) . . . . ?
C13 C12 C17 N11 124.2(4) . . . . ?
C11 C12 C17 N11 -56.4(5) . . . . ?
C112 N12 C110 C16 166.1(4) . . . . ?
C111 N12 C110 C16 -72.6(5) . . . . ?
Li12 N12 C110 C16 44.0(5) . . . . ?
C112 N12 C110 Li12 122.1(4) . . . . ?
C111 N12 C110 Li12 -116.6(4) . . . . ?
C15 C16 C110 N12 126.4(4) . . . . ?
C11 C16 C110 N12 -56.2(5) . . . . ?
C15 C16 C110 Li12 158.7(4) . . . . ?
C11 C16 C110 Li12 -23.9(4) . . . . ?
C118 C113 C114 C115 -0.5(2) . . . . ?
Li11 C113 C114 C115 150.5(5) . . . . ?
Li12 C113 C114 C115 -144.9(3) . . . . ?
C118 C113 C114 C119 -178.6(4) . . . . ?
Li11 C113 C114 C119 -27.5(6) . . . . ?
Li12 C113 C114 C119 37.0(4) . . . . ?
C118 C113 C114 Li12 144.3(4) . . . . ?
Li11 C113 C114 Li12 -64.6(5) . . . . ?
C113 C114 C115 C116 0.2(2) . . . . ?
C119 C114 C115 C116 178.3(4) . . . . ?
Li12 C114 C115 C116 -69.8(8) . . . . ?
C114 C115 C116 C117 -1.1(5) . . . . ?
C115 C116 C117 C118 2.2(6) . . . . ?
C116 C117 C118 C113 -2.6(6) . . . . ?
C116 C117 C118 C122 177.5(4) . . . . ?
C114 C113 C118 C117 1.7(4) . . . . ?
Li11 C113 C118 C117 -158.7(4) . . . . ?
Li12 C113 C118 C117 131.0(5) . . . . ?
C114 C113 C118 C122 -178.4(4) . . . . ?
Li11 C113 C118 C122 21.2(5) . . . . ?
Li12 C113 C118 C122 -49.1(6) . . . . ?
C121 N13 C119 C114 166.2(5) . . . . ?
C120 N13 C119 C114 -72.3(6) . . . . ?
Li12 N13 C119 C114 44.6(5) . . . . ?
C121 N13 C119 Li12 121.6(5) . . . . ?
C120 N13 C119 Li12 -117.0(5) . . . . ?
C115 C114 C119 N13 118.7(4) . . . . ?
C113 C114 C119 N13 -63.1(5) . . . . ?
Li12 C114 C119 N13 -33.5(4) . . . . ?
C115 C114 C119 Li12 152.2(3) . . . . ?
C113 C114 C119 Li12 -29.6(3) . . . . ?
C124 N14 C122 C118 -69.2(5) . . . . ?
C123 N14 C122 C118 170.4(5) . . . . ?
Li11 N14 C122 C118 45.8(5) . . . . ?
C117 C118 C122 N14 130.1(4) . . . . ?
C113 C118 C122 N14 -49.7(5) . . . . ?
C124 N14 Li11 N11 -45.2(6) . . . . ?
C123 N14 Li11 N11 81.5(6) . . . . ?
C122 N14 Li11 N11 -159.9(4) . . . . ?
C124 N14 Li11 C11 -155.9(5) . . . . ?
C123 N14 Li11 C11 -29.2(8) . . . . ?
C122 N14 Li11 C11 89.4(6) . . . . ?
C124 N14 Li11 C113 87.5(4) . . . . ?
C123 N14 Li11 C113 -145.8(4) . . . . ?
C122 N14 Li11 C113 -27.2(4) . . . . ?
C124 N14 Li11 Li12 133.0(5) . . . . ?
C123 N14 Li11 Li12 -100.3(6) . . . . ?
C122 N14 Li11 Li12 18.3(6) . . . . ?
C19 N11 Li11 N14 82.1(6) . . . . ?
C18 N11 Li11 N14 -43.5(6) . . . . ?
C17 N11 Li11 N14 -159.0(4) . . . . ?
C19 N11 Li11 C11 -142.1(5) . . . . ?
C18 N11 Li11 C11 92.3(4) . . . . ?
C17 N11 Li11 C11 -23.2(4) . . . . ?
C19 N11 Li11 C113 -25.7(8) . . . . ?
C18 N11 Li11 C113 -151.4(5) . . . . ?
C17 N11 Li11 C113 93.1(6) . . . . ?
C19 N11 Li11 Li12 -96.0(6) . . . . ?
C18 N11 Li11 Li12 138.3(5) . . . . ?
C17 N11 Li11 Li12 22.8(6) . . . . ?
C12 C11 Li11 N14 120.2(6) . . . . ?
C16 C11 Li11 N14 -22.4(9) . . . . ?
Li12 C11 Li11 N14 -106.2(6) . . . . ?
C12 C11 Li11 N11 -2.4(4) . . . . ?
C16 C11 Li11 N11 -145.0(4) . . . . ?
Li12 C11 Li11 N11 131.2(4) . . . . ?
C12 C11 Li11 C113 -134.2(4) . . . . ?
C16 C11 Li11 C113 83.2(6) . . . . ?
Li12 C11 Li11 C113 -0.6(4) . . . . ?
C12 C11 Li11 Li12 -133.6(4) . . . . ?
C16 C11 Li11 Li12 83.8(5) . . . . ?
C114 C113 Li11 N14 -148.9(4) . . . . ?
C118 C113 Li11 N14 4.5(4) . . . . ?
Li12 C113 Li11 N14 134.7(4) . . . . ?
C114 C113 Li11 N11 -27.9(8) . . . . ?
C118 C113 Li11 N11 125.4(5) . . . . ?
Li12 C113 Li11 N11 -104.3(6) . . . . ?
C114 C113 Li11 C11 77.0(6) . . . . ?
C118 C113 Li11 C11 -129.6(4) . . . . ?
Li12 C113 Li11 C11 0.6(4) . . . . ?
C114 C113 Li11 Li12 76.4(5) . . . . ?
C118 C113 Li11 Li12 -130.2(4) . . . . ?
C112 N12 Li12 N13 86.7(5) . . . . ?
C111 N12 Li12 N13 -39.3(6) . . . . ?
C110 N12 Li12 N13 -155.5(4) . . . . ?
C112 N12 Li12 C11 -140.1(4) . . . . ?
C111 N12 Li12 C11 93.9(4) . . . . ?
C110 N12 Li12 C11 -22.3(4) . . . . ?
C112 N12 Li12 C113 -22.8(7) . . . . ?
C111 N12 Li12 C113 -148.8(5) . . . . ?
C110 N12 Li12 C113 95.0(6) . . . . ?
C112 N12 Li12 Li11 -91.4(6) . . . . ?
C111 N12 Li12 Li11 142.6(5) . . . . ?
C110 N12 Li12 Li11 26.4(5) . . . . ?
C112 N12 Li12 C119 61.0(8) . . . . ?
C111 N12 Li12 C119 -65.0(7) . . . . ?
C110 N12 Li12 C119 178.8(6) . . . . ?
C112 N12 Li12 C110 -117.8(5) . . . . ?
C111 N12 Li12 C110 116.2(4) . . . . ?
C112 N12 Li12 C114 15.2(7) . . . . ?
C111 N12 Li12 C114 -110.8(6) . . . . ?
C110 N12 Li12 C114 133.0(5) . . . . ?
C121 N13 Li12 N12 92.6(6) . . . . ?
C120 N13 Li12 N12 -35.6(6) . . . . ?
C119 N13 Li12 N12 -150.6(4) . . . . ?
C121 N13 Li12 C11 -18.8(7) . . . . ?
C120 N13 Li12 C11 -147.0(5) . . . . ?
C119 N13 Li12 C11 98.0(6) . . . . ?
C121 N13 Li12 C113 -136.9(4) . . . . ?
C120 N13 Li12 C113 94.9(4) . . . . ?
C119 N13 Li12 C113 -20.1(4) . . . . ?
C121 N13 Li12 Li11 -89.3(6) . . . . ?
C120 N13 Li12 Li11 142.5(5) . . . . ?
C119 N13 Li12 Li11 27.5(6) . . . . ?
C121 N13 Li12 C119 -116.8(5) . . . . ?
C120 N13 Li12 C119 115.0(5) . . . . ?
C121 N13 Li12 C110 70.3(8) . . . . ?
C120 N13 Li12 C110 -57.9(8) . . . . ?
C119 N13 Li12 C110 -172.9(7) . . . . ?
C121 N13 Li12 C114 -141.3(4) . . . . ?
C120 N13 Li12 C114 90.4(4) . . . . ?
C119 N13 Li12 C114 -24.5(3) . . . . ?
C12 C11 Li12 N12 -146.1(4) . . . . ?
C16 C11 Li12 N12 -3.2(4) . . . . ?
Li11 C11 Li12 N12 129.5(4) . . . . ?
C12 C11 Li12 N13 -21.7(8) . . . . ?
C16 C11 Li12 N13 121.1(5) . . . . ?
Li11 C11 Li12 N13 -106.2(6) . . . . ?
C12 C11 Li12 C113 85.1(6) . . . . ?
C16 C11 Li12 C113 -132.1(4) . . . . ?
Li11 C11 Li12 C113 0.6(4) . . . . ?
C12 C11 Li12 Li11 84.4(5) . . . . ?
C16 C11 Li12 Li11 -132.7(4) . . . . ?
C12 C11 Li12 C119 18.5(7) . . . . ?
C16 C11 Li12 C119 161.4(4) . . . . ?
Li11 C11 Li12 C119 -65.9(5) . . . . ?
C12 C11 Li12 C110 -159.5(5) . . . . ?
C16 C11 Li12 C110 -16.7(3) . . . . ?
Li11 C11 Li12 C110 116.0(3) . . . . ?
C12 C11 Li12 C114 58.5(7) . . . . ?
C16 C11 Li12 C114 -158.6(5) . . . . ?
Li11 C11 Li12 C114 -25.9(5) . . . . ?
C114 C113 Li12 N12 115.7(5) . . . . ?
C118 C113 Li12 N12 -19.3(8) . . . . ?
Li11 C113 Li12 N12 -105.9(6) . . . . ?
C114 C113 Li12 N13 -7.6(3) . . . . ?
C118 C113 Li12 N13 -142.6(4) . . . . ?
Li11 C113 Li12 N13 130.8(4) . . . . ?
C114 C113 Li12 C11 -139.0(4) . . . . ?
C118 C113 Li12 C11 86.0(6) . . . . ?
Li11 C113 Li12 C11 -0.6(4) . . . . ?
C114 C113 Li12 Li11 -138.3(3) . . . . ?
C118 C113 Li12 Li11 86.6(5) . . . . ?
C114 C113 Li12 C119 -19.9(2) . . . . ?
C118 C113 Li12 C119 -155.0(5) . . . . ?
Li11 C113 Li12 C119 118.4(3) . . . . ?
C114 C113 Li12 C110 154.2(4) . . . . ?
C118 C113 Li12 C110 19.2(7) . . . . ?
Li11 C113 Li12 C110 -67.5(5) . . . . ?
C118 C113 Li12 C114 -135.0(5) . . . . ?
Li11 C113 Li12 C114 138.3(3) . . . . ?
N14 Li11 Li12 N12 57.2(7) . . . . ?
N11 Li11 Li12 N12 -124.7(5) . . . . ?
C11 Li11 Li12 N12 -63.9(4) . . . . ?
C113 Li11 Li12 N12 115.4(5) . . . . ?
N14 Li11 Li12 N13 -120.8(5) . . . . ?
N11 Li11 Li12 N13 57.3(7) . . . . ?
C11 Li11 Li12 N13 118.1(5) . . . . ?
C113 Li11 Li12 N13 -62.7(4) . . . . ?
N14 Li11 Li12 C11 121.2(5) . . . . ?
N11 Li11 Li12 C11 -60.8(4) . . . . ?
C113 Li11 Li12 C11 179.3(4) . . . . ?
N14 Li11 Li12 C113 -58.1(5) . . . . ?
N11 Li11 Li12 C113 119.9(5) . . . . ?
C11 Li11 Li12 C113 -179.3(4) . . . . ?
N14 Li11 Li12 C119 -106.6(5) . . . . ?
N11 Li11 Li12 C119 71.4(5) . . . . ?
C11 Li11 Li12 C119 132.2(4) . . . . ?
C113 Li11 Li12 C119 -48.5(3) . . . . ?
N14 Li11 Li12 C110 70.8(5) . . . . ?
N11 Li11 Li12 C110 -111.2(5) . . . . ?
C11 Li11 Li12 C110 -50.4(3) . . . . ?
C113 Li11 Li12 C110 128.9(3) . . . . ?
N14 Li11 Li12 C114 -77.7(5) . . . . ?
N11 Li11 Li12 C114 100.3(5) . . . . ?
C11 Li11 Li12 C114 161.1(4) . . . . ?
C113 Li11 Li12 C114 -19.59(18) . . . . ?
N13 C119 Li12 N12 46.7(6) . . . . ?
C114 C119 Li12 N12 -90.5(7) . . . . ?
C114 C119 Li12 N13 -137.2(5) . . . . ?
N13 C119 Li12 C11 -107.0(5) . . . . ?
C114 C119 Li12 C11 115.8(5) . . . . ?
N13 C119 Li12 C113 156.2(5) . . . . ?
C114 C119 Li12 C113 19.0(2) . . . . ?
N13 C119 Li12 Li11 -156.8(5) . . . . ?
C114 C119 Li12 Li11 66.0(4) . . . . ?
N13 C119 Li12 C110 54(4) . . . . ?
C114 C119 Li12 C110 -83(4) . . . . ?
N13 C119 Li12 C114 137.2(5) . . . . ?
C16 C110 Li12 N12 -137.9(4) . . . . ?
N12 C110 Li12 N13 39.8(7) . . . . ?
C16 C110 Li12 N13 -98.1(7) . . . . ?
N12 C110 Li12 C11 153.7(4) . . . . ?
C16 C110 Li12 C11 15.8(2) . . . . ?
N12 C110 Li12 C113 -107.3(5) . . . . ?
C16 C110 Li12 C113 114.8(5) . . . . ?
N12 C110 Li12 Li11 -157.5(5) . . . . ?
C16 C110 Li12 Li11 64.6(4) . . . . ?
N12 C110 Li12 C119 -8(4) . . . . ?
C16 C110 Li12 C119 -146(4) . . . . ?
N12 C110 Li12 C114 -83.5(7) . . . . ?
C16 C110 Li12 C114 138.6(7) . . . . ?
C115 C114 Li12 N12 1.7(12) . . . . ?
C113 C114 Li12 N12 -89.2(6) . . . . ?
C119 C114 Li12 N12 124.6(6) . . . . ?
C115 C114 Li12 N13 -98.1(8) . . . . ?
C113 C114 Li12 N13 171.1(4) . . . . ?
C119 C114 Li12 N13 24.9(3) . . . . ?
C115 C114 Li12 C11 146.7(7) . . . . ?
C113 C114 Li12 C11 55.9(5) . . . . ?
C119 C114 Li12 C11 -90.3(6) . . . . ?
C115 C114 Li12 C113 90.8(9) . . . . ?
C119 C114 Li12 C113 -146.2(4) . . . . ?
C115 C114 Li12 Li11 125.0(8) . . . . ?
C113 C114 Li12 Li11 34.1(3) . . . . ?
C119 C114 Li12 Li11 -112.1(4) . . . . ?
C115 C114 Li12 C119 -123.0(9) . . . . ?
C113 C114 Li12 C119 146.2(4) . . . . ?
C115 C114 Li12 C110 47.6(12) . . . . ?
C113 C114 Li12 C110 -43.2(6) . . . . ?
C119 C114 Li12 C110 170.6(8) . . . . ?
C26 C21 C22 C23 -0.5(2) . . . . ?
Li21 C21 C22 C23 -155.9(3) . . . . ?
Li22 C21 C22 C23 134.4(5) . . . . ?
C26 C21 C22 C27 179.8(4) . . . . ?
Li21 C21 C22 C27 24.4(4) . . . . ?
Li22 C21 C22 C27 -45.3(6) . . . . ?
C21 C22 C23 C24 -0.5(2) . . . . ?
C27 C22 C23 C24 179.3(4) . . . . ?
C22 C23 C24 C25 0.6(4) . . . . ?
C23 C24 C25 C26 0.2(6) . . . . ?
C24 C25 C26 C21 -1.3(6) . . . . ?
C24 C25 C26 C210 177.2(4) . . . . ?
C22 C21 C26 C25 1.4(4) . . . . ?
Li21 C21 C26 C25 144.6(5) . . . . ?
Li22 C21 C26 C25 -148.0(4) . . . . ?
C22 C21 C26 C210 -177.1(4) . . . . ?
Li21 C21 C26 C210 -33.9(6) . . . . ?
Li22 C21 C26 C210 33.5(4) . . . . ?
C28 N21 C27 C22 -68.1(5) . . . . ?
C29 N21 C27 C22 171.6(4) . . . . ?
Li21 N21 C27 C22 46.2(4) . . . . ?
C28 N21 C27 Li21 -114.3(4) . . . . ?
C29 N21 C27 Li21 125.4(4) . . . . ?
C23 C22 C27 N21 127.4(3) . . . . ?
C21 C22 C27 N21 -52.8(5) . . . . ?
C23 C22 C27 Li21 160.8(3) . . . . ?
C21 C22 C27 Li21 -19.4(3) . . . . ?
C212 N22 C210 C26 170.0(4) . . . . ?
C211 N22 C210 C26 -68.8(5) . . . . ?
Li22 N22 C210 C26 45.4(5) . . . . ?
C212 N22 C210 Li22 124.7(5) . . . . ?
C211 N22 C210 Li22 -114.1(5) . . . . ?
C25 C26 C210 N22 121.0(4) . . . . ?
C21 C26 C210 N22 -60.4(5) . . . . ?
C25 C26 C210 Li22 154.6(4) . . . . ?
C21 C26 C210 Li22 -26.9(4) . . . . ?
C218 C213 C214 C215 -0.2(2) . . . . ?
Li22 C213 C214 C215 -155.0(3) . . . . ?
Li21 C213 C214 C215 133.6(5) . . . . ?
C218 C213 C214 C219 -178.7(4) . . . . ?
Li22 C213 C214 C219 26.5(4) . . . . ?
Li21 C213 C214 C219 -44.9(5) . . . . ?
C213 C214 C215 C216 -0.2(2) . . . . ?
C219 C214 C215 C216 178.3(4) . . . . ?
C214 C215 C216 C217 0.3(4) . . . . ?
C215 C216 C217 C218 0.0(6) . . . . ?
C216 C217 C218 C213 -0.5(6) . . . . ?
C216 C217 C218 C222 -179.6(4) . . . . ?
C214 C213 C218 C217 0.5(4) . . . . ?
Li22 C213 C218 C217 144.2(5) . . . . ?
Li21 C213 C218 C217 -147.8(4) . . . . ?
C214 C213 C218 C222 179.7(3) . . . . ?
Li22 C213 C218 C222 -36.6(6) . . . . ?
Li21 C213 C218 C222 31.4(4) . . . . ?
C221 N23 C219 C214 168.7(4) . . . . ?
C220 N23 C219 C214 -69.1(5) . . . . ?
Li22 N23 C219 C214 45.7(5) . . . . ?
C221 N23 C219 Li22 122.9(5) . . . . ?
C220 N23 C219 Li22 -114.8(5) . . . . ?
C215 C214 C219 N23 127.6(3) . . . . ?
C213 C214 C219 N23 -53.8(5) . . . . ?
C215 C214 C219 Li22 160.8(3) . . . . ?
C213 C214 C219 Li22 -20.6(3) . . . . ?
C223 N24 C222 C218 169.2(4) . . . . ?
C224 N24 C222 C218 -70.6(5) . . . . ?
Li21 N24 C222 C218 47.8(4) . . . . ?
C223 N24 C222 Li21 121.4(4) . . . . ?
C224 N24 C222 Li21 -118.4(4) . . . . ?
C217 C218 C222 N24 118.9(4) . . . . ?
C213 C218 C222 N24 -60.3(5) . . . . ?
C217 C218 C222 Li21 153.9(4) . . . . ?
C213 C218 C222 Li21 -25.3(3) . . . . ?
C28 N21 Li21 N24 -45.6(5) . . . . ?
C29 N21 Li21 N24 79.8(5) . . . . ?
C27 N21 Li21 N24 -160.4(4) . . . . ?
C28 N21 Li21 C21 88.5(4) . . . . ?
C29 N21 Li21 C21 -146.1(4) . . . . ?
C27 N21 Li21 C21 -26.4(3) . . . . ?
C28 N21 Li21 C213 -154.2(5) . . . . ?
C29 N21 Li21 C213 -28.8(7) . . . . ?
C27 N21 Li21 C213 90.9(6) . . . . ?
C28 N21 Li21 Li22 133.0(5) . . . . ?
C29 N21 Li21 Li22 -101.6(5) . . . . ?
C27 N21 Li21 Li22 18.2(5) . . . . ?
C28 N21 Li21 C222 -61.8(7) . . . . ?
C29 N21 Li21 C222 63.6(7) . . . . ?
C27 N21 Li21 C222 -176.7(5) . . . . ?
C28 N21 Li21 C27 114.9(4) . . . . ?
C29 N21 Li21 C27 -119.7(4) . . . . ?
C223 N24 Li21 N21 81.5(5) . . . . ?
C224 N24 Li21 N21 -45.2(5) . . . . ?
C222 N24 Li21 N21 -160.7(4) . . . . ?
C223 N24 Li21 C21 -25.5(7) . . . . ?
C224 N24 Li21 C21 -152.3(5) . . . . ?
C222 N24 Li21 C21 92.3(6) . . . . ?
C223 N24 Li21 C213 -142.5(4) . . . . ?
C224 N24 Li21 C213 90.8(4) . . . . ?
C222 N24 Li21 C213 -24.7(3) . . . . ?
C223 N24 Li21 Li22 -97.1(5) . . . . ?
C224 N24 Li21 Li22 136.1(5) . . . . ?
C222 N24 Li21 Li22 20.7(5) . . . . ?
C223 N24 Li21 C222 -117.8(4) . . . . ?
C224 N24 Li21 C222 115.4(4) . . . . ?
C223 N24 Li21 C27 65.2(7) . . . . ?
C224 N24 Li21 C27 -61.5(7) . . . . ?
C222 N24 Li21 C27 -177.0(5) . . . . ?
C26 C21 Li21 N21 -144.2(4) . . . . ?
C22 C21 Li21 N21 2.3(3) . . . . ?
Li22 C21 Li21 N21 136.4(4) . . . . ?
C26 C21 Li21 N24 -26.4(9) . . . . ?
C22 C21 Li21 N24 120.1(5) . . . . ?
Li22 C21 Li21 N24 -105.9(6) . . . . ?
C26 C21 Li21 C213 80.2(6) . . . . ?
C22 C21 Li21 C213 -133.3(3) . . . . ?
Li22 C21 Li21 C213 0.8(4) . . . . ?
C26 C21 Li21 Li22 79.4(5) . . . . ?
C22 C21 Li21 Li22 -134.1(3) . . . . ?
C26 C21 Li21 C222 13.6(7) . . . . ?
C22 C21 Li21 C222 160.1(4) . . . . ?
Li22 C21 Li21 C222 -65.8(4) . . . . ?
C26 C21 Li21 C27 -159.9(5) . . . . ?
C22 C21 Li21 C27 -13.4(2) . . . . ?
Li22 C21 Li21 C27 120.7(3) . . . . ?
C214 C213 Li21 N21 -22.3(8) . . . . ?
C218 C213 Li21 N21 116.4(5) . . . . ?
Li22 C213 Li21 N21 -108.2(6) . . . . ?
C214 C213 Li21 N24 -141.0(4) . . . . ?
C218 C213 Li21 N24 -2.3(3) . . . . ?
Li22 C213 Li21 N24 133.1(4) . . . . ?
C214 C213 Li21 C21 85.1(5) . . . . ?
C218 C213 Li21 C21 -136.3(4) . . . . ?
Li22 C213 Li21 C21 -0.8(4) . . . . ?
C214 C213 Li21 Li22 85.9(5) . . . . ?
C218 C213 Li21 Li22 -135.5(4) . . . . ?
C214 C213 Li21 C222 -155.8(5) . . . . ?
C218 C213 Li21 C222 -17.2(3) . . . . ?
Li22 C213 Li21 C222 118.3(3) . . . . ?
C214 C213 Li21 C27 18.0(7) . . . . ?
C218 C213 Li21 C27 156.7(4) . . . . ?
Li22 C213 Li21 C27 -67.9(4) . . . . ?
N24 C222 Li21 N21 29.5(5) . . . . ?
C218 C222 Li21 N21 -105.1(6) . . . . ?
C218 C222 Li21 N24 -134.6(4) . . . . ?
N24 C222 Li21 C21 -113.2(5) . . . . ?
C218 C222 Li21 C21 112.2(5) . . . . ?
N24 C222 Li21 C213 150.9(4) . . . . ?
C218 C222 Li21 C213 16.4(2) . . . . ?
N24 C222 Li21 Li22 -162.6(4) . . . . ?
C218 C222 Li21 Li22 62.8(3) . . . . ?
N24 C222 Li21 C27 15(3) . . . . ?
C218 C222 Li21 C27 -119(3) . . . . ?
C22 C27 Li21 N21 -136.4(4) . . . . ?
N21 C27 Li21 N24 29.7(6) . . . . ?
C22 C27 Li21 N24 -106.7(6) . . . . ?
N21 C27 Li21 C21 148.9(4) . . . . ?
C22 C27 Li21 C21 12.6(2) . . . . ?
N21 C27 Li21 C213 -115.3(5) . . . . ?
C22 C27 Li21 C213 108.3(5) . . . . ?
N21 C27 Li21 Li22 -165.2(4) . . . . ?
C22 C27 Li21 Li22 58.5(3) . . . . ?
N21 C27 Li21 C222 17(3) . . . . ?
C22 C27 Li21 C222 -120(3) . . . . ?
C221 N23 Li22 N22 83.3(6) . . . . ?
C220 N23 Li22 N22 -43.2(6) . . . . ?
C219 N23 Li22 N22 -158.4(4) . . . . ?
C221 N23 Li22 C213 -143.2(4) . . . . ?
C220 N23 Li22 C213 90.4(4) . . . . ?
C219 N23 Li22 C213 -24.9(4) . . . . ?
C221 N23 Li22 C21 -26.8(7) . . . . ?
C220 N23 Li22 C21 -153.2(5) . . . . ?
C219 N23 Li22 C21 91.5(6) . . . . ?
C221 N23 Li22 Li21 -97.0(6) . . . . ?
C220 N23 Li22 Li21 136.6(5) . . . . ?
C219 N23 Li22 Li21 21.3(6) . . . . ?
C221 N23 Li22 C210 61.7(8) . . . . ?
C220 N23 Li22 C210 -64.7(8) . . . . ?
C219 N23 Li22 C210 -180.0(6) . . . . ?
C221 N23 Li22 C219 -118.3(5) . . . . ?
C220 N23 Li22 C219 115.3(5) . . . . ?
C212 N22 Li22 N23 85.3(6) . . . . ?
C211 N22 Li22 N23 -42.6(6) . . . . ?
C210 N22 Li22 N23 -155.5(4) . . . . ?
C212 N22 Li22 C213 -23.4(7) . . . . ?
C211 N22 Li22 C213 -151.2(5) . . . . ?
C210 N22 Li22 C213 95.9(5) . . . . ?
C212 N22 Li22 C21 -140.8(4) . . . . ?
C211 N22 Li22 C21 91.4(4) . . . . ?
C210 N22 Li22 C21 -21.5(4) . . . . ?
C212 N22 Li22 Li21 -94.5(6) . . . . ?
C211 N22 Li22 Li21 137.7(5) . . . . ?
C210 N22 Li22 Li21 24.8(6) . . . . ?
C212 N22 Li22 C210 -119.3(5) . . . . ?
C211 N22 Li22 C210 112.9(4) . . . . ?
C212 N22 Li22 C219 66.4(8) . . . . ?
C211 N22 Li22 C219 -61.5(8) . . . . ?
C210 N22 Li22 C219 -174.4(6) . . . . ?
C214 C213 Li22 N23 0.3(3) . . . . ?
C218 C213 Li22 N23 -146.5(4) . . . . ?
Li21 C213 Li22 N23 133.1(4) . . . . ?
C214 C213 Li22 N22 121.2(5) . . . . ?
C218 C213 Li22 N22 -25.7(8) . . . . ?
Li21 C213 Li22 N22 -106.1(6) . . . . ?
C214 C213 Li22 C21 -131.9(4) . . . . ?
C218 C213 Li22 C21 81.2(6) . . . . ?
Li21 C213 Li22 C21 0.8(4) . . . . ?
C214 C213 Li22 Li21 -132.7(3) . . . . ?
C218 C213 Li22 Li21 80.4(5) . . . . ?
C214 C213 Li22 C210 162.1(4) . . . . ?
C218 C213 Li22 C210 15.3(7) . . . . ?
Li21 C213 Li22 C210 -65.2(4) . . . . ?
C214 C213 Li22 C219 -14.6(2) . . . . ?
C218 C213 Li22 C219 -161.5(5) . . . . ?
Li21 C213 Li22 C219 118.1(3) . . . . ?
C26 C21 Li22 N23 116.8(5) . . . . ?
C22 C21 Li22 N23 -22.6(8) . . . . ?
Li21 C21 Li22 N23 -106.0(6) . . . . ?
C26 C21 Li22 N22 -4.9(4) . . . . ?
C22 C21 Li22 N22 -144.4(4) . . . . ?
Li21 C21 Li22 N22 132.2(4) . . . . ?
C26 C21 Li22 C213 -137.9(4) . . . . ?
C22 C21 Li22 C213 82.6(6) . . . . ?
Li21 C21 Li22 C213 -0.8(4) . . . . ?
C26 C21 Li22 Li21 -137.1(4) . . . . ?
C22 C21 Li22 Li21 83.4(5) . . . . ?
C26 C21 Li22 C210 -18.2(3) . . . . ?
C22 C21 Li22 C210 -157.7(5) . . . . ?
Li21 C21 Li22 C210 118.9(3) . . . . ?
C26 C21 Li22 C219 156.0(4) . . . . ?
C22 C21 Li22 C219 16.5(7) . . . . ?
Li21 C21 Li22 C219 -66.9(4) . . . . ?
N21 Li21 Li22 N23 61.8(7) . . . . ?
N24 Li21 Li22 N23 -119.7(5) . . . . ?
C21 Li21 Li22 N23 119.2(5) . . . . ?
C213 Li21 Li22 N23 -59.9(4) . . . . ?
C222 Li21 Li22 N23 -109.0(5) . . . . ?
C27 Li21 Li22 N23 71.2(5) . . . . ?
N21 Li21 Li22 N22 -118.4(5) . . . . ?
N24 Li21 Li22 N22 60.0(7) . . . . ?
C21 Li21 Li22 N22 -61.1(4) . . . . ?
C213 Li21 Li22 N22 119.8(5) . . . . ?
C222 Li21 Li22 N22 70.7(5) . . . . ?
C27 Li21 Li22 N22 -109.0(5) . . . . ?
N21 Li21 Li22 C213 121.7(5) . . . . ?
N24 Li21 Li22 C213 -59.8(4) . . . . ?
C21 Li21 Li22 C213 179.1(4) . . . . ?
C222 Li21 Li22 C213 -49.1(2) . . . . ?
C27 Li21 Li22 C213 131.2(3) . . . . ?
N21 Li21 Li22 C21 -57.4(4) . . . . ?
N24 Li21 Li22 C21 121.1(5) . . . . ?
C213 Li21 Li22 C21 -179.1(4) . . . . ?
C222 Li21 Li22 C21 131.8(3) . . . . ?
C27 Li21 Li22 C21 -48.0(3) . . . . ?
N21 Li21 Li22 C210 -105.5(5) . . . . ?
N24 Li21 Li22 C210 72.9(5) . . . . ?
C21 Li21 Li22 C210 -48.2(2) . . . . ?
C213 Li21 Li22 C210 132.7(4) . . . . ?
C222 Li21 Li22 C210 83.6(3) . . . . ?
C27 Li21 Li22 C210 -96.1(3) . . . . ?
N21 Li21 Li22 C219 72.8(5) . . . . ?
N24 Li21 Li22 C219 -108.7(4) . . . . ?
C21 Li21 Li22 C219 130.2(4) . . . . ?
C213 Li21 Li22 C219 -48.9(2) . . . . ?
C222 Li21 Li22 C219 -98.0(3) . . . . ?
C27 Li21 Li22 C219 82.2(3) . . . . ?
N22 C210 Li22 N23 38.7(6) . . . . ?
C26 C210 Li22 N23 -98.6(7) . . . . ?
C26 C210 Li22 N22 -137.2(5) . . . . ?
N22 C210 Li22 C213 -110.1(6) . . . . ?
C26 C210 Li22 C213 112.7(5) . . . . ?
N22 C210 Li22 C21 154.5(4) . . . . ?
C26 C210 Li22 C21 17.3(2) . . . . ?
N22 C210 Li22 Li21 -159.2(5) . . . . ?
C26 C210 Li22 Li21 63.6(4) . . . . ?
N22 C210 Li22 C219 39(4) . . . . ?
C26 C210 Li22 C219 -99(4) . . . . ?
C214 C219 Li22 N23 -136.9(4) . . . . ?
N23 C219 Li22 N22 34.0(6) . . . . ?
C214 C219 Li22 N22 -102.9(7) . . . . ?
N23 C219 Li22 C213 150.5(4) . . . . ?
C214 C219 Li22 C213 13.7(2) . . . . ?
N23 C219 Li22 C21 -112.6(5) . . . . ?
C214 C219 Li22 C21 110.5(5) . . . . ?
N23 C219 Li22 Li21 -162.1(5) . . . . ?
C214 C219 Li22 Li21 61.0(3) . . . . ?
N23 C219 Li22 C210 0(4) . . . . ?
C214 C219 Li22 C210 -137(4) . . . . ?
C36 C31 C32 C33 -0.4(2) . . . . ?
Li31 C31 C32 C33 -153.6(3) . . . . ?
Li32 C31 C32 C33 138.8(5) . . . . ?
C36 C31 C32 C37 -177.6(4) . . . . ?
Li31 C31 C32 C37 29.2(3) . . . . ?
Li32 C31 C32 C37 -38.4(5) . . . . ?
C31 C32 C33 C34 -0.2(2) . . . . ?
C37 C32 C33 C34 176.9(4) . . . . ?
C32 C33 C34 C35 0.0(4) . . . . ?
C33 C34 C35 C36 1.0(6) . . . . ?
C34 C35 C36 C31 -1.7(6) . . . . ?
C34 C35 C36 C310 178.3(4) . . . . ?
C32 C31 C36 C35 1.4(4) . . . . ?
Li31 C31 C36 C35 142.1(5) . . . . ?
Li32 C31 C36 C35 -150.8(4) . . . . ?
C32 C31 C36 C310 -178.6(3) . . . . ?
Li31 C31 C36 C310 -37.9(6) . . . . ?
Li32 C31 C36 C310 29.2(4) . . . . ?
C38 N31 C37 C32 -67.0(5) . . . . ?
C39 N31 C37 C32 172.8(4) . . . . ?
Li31 N31 C37 C32 48.6(4) . . . . ?
C33 C32 C37 N31 123.7(3) . . . . ?
C31 C32 C37 N31 -59.0(5) . . . . ?
C311 N32 C310 C36 -66.1(5) . . . . ?
C312 N32 C310 C36 172.9(4) . . . . ?
Li32 N32 C310 C36 47.1(4) . . . . ?
C35 C36 C310 N32 122.4(4) . . . . ?
C31 C36 C310 N32 -57.6(5) . . . . ?
C38 N31 Li31 N31 -44.1(3) . . . 2_756 ?
C39 N31 Li31 N31 82.2(4) . . . 2_756 ?
C37 N31 Li31 N31 -160.0(3) . . . 2_756 ?
C38 N31 Li31 C31 -150.4(6) . . . 2_756 ?
C39 N31 Li31 C31 -24.0(8) . . . 2_756 ?
C37 N31 Li31 C31 93.8(6) . . . 2_756 ?
C38 N31 Li31 C31 89.8(4) . . . . ?
C39 N31 Li31 C31 -143.8(3) . . . . ?
C37 N31 Li31 C31 -26.0(3) . . . . ?
C38 N31 Li31 Li32 135.9(3) . . . . ?
C39 N31 Li31 Li32 -97.8(4) . . . . ?
C37 N31 Li31 Li32 20.0(3) . . . . ?
C36 C31 Li31 N31 -144.4(4) . . . . ?
C32 C31 Li31 N31 -0.3(3) . . . . ?
Li32 C31 Li31 N31 134.6(2) . . . . ?
C36 C31 Li31 N31 -27.2(9) . . . 2_756 ?
C32 C31 Li31 N31 116.9(5) . . . 2_756 ?
Li32 C31 Li31 N31 -108.2(6) . . . 2_756 ?
C36 C31 Li31 C31 81.0(5) . . . 2_756 ?
C32 C31 Li31 C31 -134.9(2) . . . 2_756 ?
Li32 C31 Li31 C31 -0.002(1) . . . 2_756 ?
C36 C31 Li31 Li32 81.1(5) . . . . ?
C32 C31 Li31 Li32 -134.9(2) . . . . ?
C311 N32 Li32 N32 -44.9(3) . . . 2_756 ?
C312 N32 Li32 N32 81.1(4) . . . 2_756 ?
C310 N32 Li32 N32 -159.6(3) . . . 2_756 ?
C311 N32 Li32 C31 -152.4(5) . . . 2_756 ?
C312 N32 Li32 C31 -26.4(8) . . . 2_756 ?
C310 N32 Li32 C31 92.9(6) . . . 2_756 ?
C311 N32 Li32 C31 89.7(4) . . . . ?
C312 N32 Li32 C31 -144.4(4) . . . . ?
C310 N32 Li32 C31 -25.1(3) . . . . ?
C311 N32 Li32 Li31 135.1(3) . . . . ?
C312 N32 Li32 Li31 -98.9(4) . . . . ?
C310 N32 Li32 Li31 20.4(3) . . . . ?
C36 C31 Li32 N32 117.9(5) . . . 2_756 ?
C32 C31 Li32 N32 -24.9(9) . . . 2_756 ?
Li31 C31 Li32 N32 -106.8(5) . . . 2_756 ?
C36 C31 Li32 N32 -1.0(3) . . . . ?
C32 C31 Li32 N32 -143.8(4) . . . . ?
Li31 C31 Li32 N32 134.3(2) . . . . ?
C36 C31 Li32 C31 -135.3(3) . . . 2_756 ?
C32 C31 Li32 C31 81.9(4) . . . 2_756 ?
Li31 C31 Li32 C31 0.002(1) . . . 2_756 ?
C36 C31 Li32 Li31 -135.3(3) . . . . ?
C32 C31 Li32 Li31 81.9(4) . . . . ?
N31 Li31 Li32 N32 62.59(14) . . . 2_756 ?
N31 Li31 Li32 N32 -117.41(14) 2_756 . . 2_756 ?
C31 Li31 Li32 N32 -58.55(16) 2_756 . . 2_756 ?
C31 Li31 Li32 N32 121.45(16) . . . 2_756 ?
N31 Li31 Li32 N32 -117.41(14) . . . . ?
N31 Li31 Li32 N32 62.59(14) 2_756 . . . ?
C31 Li31 Li32 N32 121.44(16) 2_756 . . . ?
C31 Li31 Li32 N32 -58.55(16) . . . . ?
N31 Li31 Li32 C31 121.14(16) . . . 2_756 ?
N31 Li31 Li32 C31 -58.86(16) 2_756 . . 2_756 ?
C31 Li31 Li32 C31 180.002(1) . . . 2_756 ?
N31 Li31 Li32 C31 -58.86(16) . . . . ?
N31 Li31 Li32 C31 121.14(16) 2_756 . . . ?
C31 Li31 Li32 C31 179.998(1) 2_756 . . . ?
C46 C41 C42 C43 -0.5(2) . . . . ?
Li42 C41 C42 C43 138.1(5) . . . . ?
Li41 C41 C42 C43 -152.7(3) . . . . ?
C46 C41 C42 C47 -177.7(4) . . . . ?
Li42 C41 C42 C47 -39.2(6) . . . . ?
Li41 C41 C42 C47 30.0(4) . . . . ?
C41 C42 C43 C44 -0.2(2) . . . . ?
C47 C42 C43 C44 177.0(4) . . . . ?
C42 C43 C44 C45 -0.1(5) . . . . ?
C43 C44 C45 C46 1.0(6) . . . . ?
C44 C45 C46 C41 -1.7(6) . . . . ?
C44 C45 C46 C410 178.6(4) . . . . ?
C42 C41 C46 C45 1.4(4) . . . . ?
Li42 C41 C46 C45 -150.1(4) . . . . ?
Li41 C41 C46 C45 141.4(5) . . . . ?
C42 C41 C46 C410 -178.9(3) . . . . ?
Li42 C41 C46 C410 29.7(4) . . . . ?
Li41 C41 C46 C410 -38.8(7) . . . . ?
C49 N41 C47 C42 170.3(4) . . . . ?
C48 N41 C47 C42 -68.8(5) . . . . ?
Li41 N41 C47 C42 45.0(4) . . . . ?
C43 C42 C47 N41 126.5(3) . . . . ?
C41 C42 C47 N41 -56.2(5) . . . . ?
C412 N42 C410 C46 169.9(4) . . . . ?
C411 N42 C410 C46 -68.5(5) . . . . ?
Li42 N42 C410 C46 46.5(4) . . . . ?
C412 N42 C410 Li42 123.4(4) . . . . ?
C411 N42 C410 Li42 -114.9(4) . . . . ?
C45 C46 C410 N42 122.1(4) . . . . ?
C41 C46 C410 N42 -57.7(5) . . . . ?
C45 C46 C410 Li42 156.5(4) . . . . ?
C41 C46 C410 Li42 -23.3(4) . . . . ?
C49 N41 Li41 N41 83.9(4) . . . 2_655 ?
C48 N41 Li41 N41 -41.1(3) . . . 2_655 ?
C47 N41 Li41 N41 -156.1(3) . . . 2_655 ?
C49 N41 Li41 C41 -143.1(4) . . . . ?
C48 N41 Li41 C41 91.8(4) . . . . ?
C47 N41 Li41 C41 -23.2(3) . . . . ?
C49 N41 Li41 C41 -25.9(8) . . . 2_655 ?
C48 N41 Li41 C41 -150.9(6) . . . 2_655 ?
C47 N41 Li41 C41 94.1(6) . . . 2_655 ?
C49 N41 Li41 Li42 -96.1(4) . . . . ?
C48 N41 Li41 Li42 138.9(3) . . . . ?
C47 N41 Li41 Li42 23.9(3) . . . . ?
C46 C41 Li41 N41 -145.9(4) . . . . ?
C42 C41 Li41 N41 -2.6(3) . . . . ?
Li42 C41 Li41 N41 131.4(2) . . . . ?
C46 C41 Li41 N41 -22.9(9) . . . 2_655 ?
C42 C41 Li41 N41 120.5(6) . . . 2_655 ?
Li42 C41 Li41 N41 -105.5(6) . . . 2_655 ?
C46 C41 Li41 C41 82.6(5) . . . 2_655 ?
C42 C41 Li41 C41 -134.0(2) . . . 2_655 ?
Li42 C41 Li41 C41 0.0 . . . 2_655 ?
C46 C41 Li41 Li42 82.6(5) . . . . ?
C42 C41 Li41 Li42 -134.0(2) . . . . ?
C412 N42 Li42 N42 83.9(4) . . . 2_655 ?
C411 N42 Li42 N42 -43.3(3) . . . 2_655 ?
C410 N42 Li42 N42 -157.6(3) . . . 2_655 ?
C412 N42 Li42 C41 -142.9(4) . . . . ?
C411 N42 Li42 C41 89.9(4) . . . . ?
C410 N42 Li42 C41 -24.4(3) . . . . ?
C412 N42 Li42 C41 -24.7(8) . . . 2_655 ?
C411 N42 Li42 C41 -151.8(5) . . . 2_655 ?
C410 N42 Li42 C41 93.8(6) . . . 2_655 ?
C412 N42 Li42 Li41 -96.1(4) . . . . ?
C411 N42 Li42 Li41 136.7(3) . . . . ?
C410 N42 Li42 Li41 22.4(3) . . . . ?
C412 N42 Li42 C410 -118.5(5) . . . . ?
C411 N42 Li42 C410 114.3(4) . . . . ?
C412 N42 Li42 C410 64.4(6) . . . 2_655 ?
C411 N42 Li42 C410 -62.8(4) . . . 2_655 ?
C410 N42 Li42 C410 -177.1(2) . . . 2_655 ?
C46 C41 Li42 N42 -1.6(3) . . . . ?
C42 C41 Li42 N42 -143.6(4) . . . . ?
Li41 C41 Li42 N42 132.7(2) . . . . ?
C46 C41 Li42 N42 118.8(6) . . . 2_655 ?
C42 C41 Li42 N42 -23.2(9) . . . 2_655 ?
Li41 C41 Li42 N42 -106.9(5) . . . 2_655 ?
C46 C41 Li42 C41 -134.2(3) . . . 2_655 ?
C42 C41 Li42 C41 83.7(4) . . . 2_655 ?
Li41 C41 Li42 C41 0.0 . . . 2_655 ?
C46 C41 Li42 Li41 -134.2(3) . . . . ?
C42 C41 Li42 Li41 83.7(4) . . . . ?
C46 C41 Li42 C410 -16.3(2) . . . . ?
C42 C41 Li42 C410 -158.4(5) . . . . ?
Li41 C41 Li42 C410 117.91(18) . . . . ?
C46 C41 Li42 C410 158.8(4) . . . 2_655 ?
C42 C41 Li42 C410 16.7(8) . . . 2_655 ?
Li41 C41 Li42 C410 -67.0(4) . . . 2_655 ?
N41 Li41 Li42 N42 -122.10(15) . . . . ?
N41 Li41 Li42 N42 57.90(15) 2_655 . . . ?
C41 Li41 Li42 N42 -60.78(17) . . . . ?
C41 Li41 Li42 N42 119.22(17) 2_655 . . . ?
N41 Li41 Li42 N42 57.90(15) . . . 2_655 ?
N41 Li41 Li42 N42 -122.10(15) 2_655 . . 2_655 ?
C41 Li41 Li42 N42 119.22(17) . . . 2_655 ?
C41 Li41 Li42 N42 -60.77(17) 2_655 . . 2_655 ?
N41 Li41 Li42 C41 -61.33(16) . . . . ?
N41 Li41 Li42 C41 118.67(16) 2_655 . . . ?
C41 Li41 Li42 C41 180.0 2_655 . . . ?
N41 Li41 Li42 C41 118.67(16) . . . 2_655 ?
N41 Li41 Li42 C41 -61.33(16) 2_655 . . 2_655 ?
C41 Li41 Li42 C41 180.000(1) . . . 2_655 ?
N41 Li41 Li42 C410 -110.49(14) . . . . ?
N41 Li41 Li42 C410 69.51(14) 2_655 . . . ?
C41 Li41 Li42 C410 -49.16(16) . . . . ?
C41 Li41 Li42 C410 130.84(16) 2_655 . . . ?
N41 Li41 Li42 C410 69.52(14) . . . 2_655 ?
N41 Li41 Li42 C410 -110.48(14) 2_655 . . 2_655 ?
C41 Li41 Li42 C410 130.85(16) . . . 2_655 ?
C41 Li41 Li42 C410 -49.15(16) 2_655 . . 2_655 ?
C46 C410 Li42 N42 -135.8(4) . . . . ?
N42 C410 Li42 N42 35.1(5) . . . 2_655 ?
C46 C410 Li42 N42 -100.8(3) . . . 2_655 ?
N42 C410 Li42 C41 151.2(4) . . . . ?
C46 C410 Li42 C41 15.4(2) . . . . ?
N42 C410 Li42 C41 -111.0(4) . . . 2_655 ?
C46 C410 Li42 C41 113.2(5) . . . 2_655 ?
N42 C410 Li42 Li41 -161.3(2) . . . . ?
C46 C410 Li42 Li41 62.9(2) . . . . ?
N42 C410 Li42 C410 18.7(2) . . . 2_655 ?
C46 C410 Li42 C410 -117.1(2) . . . 2_655 ?
