#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:36:38 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179927 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/22/7022277.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_7022277
loop_
_publ_author_name
'Armstrong, David R.'
'Kennedy, Alan R.'
'Mulvey, Robert E.'
'Robertson, Stuart D.'
_publ_section_title
;
 A hetero-alkali-metal version of the utility amide LDA: lithium-potassium
 diisopropylamide.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3704
_journal_page_last               3711
_journal_paper_doi               10.1039/c2dt32204h
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C24 H58 K Li2 N5'
_chemical_formula_sum            'C24 H58 K Li2 N5'
_chemical_formula_weight         469.73
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 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                 116.115(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.7304(8)
_cell_length_b                   13.4168(5)
_cell_length_c                   16.7662(10)
_cell_measurement_reflns_used    4657
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      28.7861
_cell_measurement_theta_min      3.3180
_cell_volume                     3177.3(3)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.881
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0205
_diffrn_reflns_av_sigmaI/netI    0.0299
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            9117
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         28.85
_diffrn_reflns_theta_min         3.32
_exptl_absorpt_coefficient_mu    0.184
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79945
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    0.982
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1048
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.465
_refine_diff_density_min         -0.262
_refine_diff_density_rms         0.041
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     195
_refine_ls_number_reflns         3674
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0570
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0543P)²+2.3317P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1147
_refine_ls_wR_factor_ref         0.1231
_reflns_number_gt                3071
_reflns_number_total             3674
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt32204h.txt
_cod_data_source_block           sdr1206
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7022277
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
K1 K 0.0000 0.39694(3) 0.2500 0.02664(14) Uani 1 2 d S . .
N1 N 0.07126(10) 0.21343(10) 0.34934(9) 0.0375(3) Uani 1 1 d . . .
C1 C 0.07139(16) 0.21311(18) 0.43635(14) 0.0605(6) Uani 1 1 d . . .
H1A H 0.1082 0.2700 0.4711 0.091 Uiso 1 1 calc R . .
H1B H 0.0999 0.1510 0.4674 0.091 Uiso 1 1 calc R . .
H1C H 0.0062 0.2181 0.4290 0.091 Uiso 1 1 calc R . .
C2 C 0.16782(14) 0.20429(15) 0.36076(14) 0.0495(5) Uani 1 1 d . . .
H2A H 0.2059 0.2594 0.3975 0.074 Uiso 1 1 calc R . .
H2B H 0.1683 0.2064 0.3026 0.074 Uiso 1 1 calc R . .
H2C H 0.1945 0.1408 0.3900 0.074 Uiso 1 1 calc R . .
C3 C 0.01205(16) 0.13008(14) 0.29825(14) 0.0551(5) Uani 1 1 d . . .
H3A H -0.0476 0.1310 0.3046 0.066 Uiso 1 1 calc R . .
H3B H 0.0452 0.0670 0.3246 0.066 Uiso 1 1 calc R . .
N2 N 0.15263(8) 0.52370(9) 0.26340(8) 0.0264(3) Uani 1 1 d . B .
C11 C 0.22842(11) 0.49329(12) 0.34825(11) 0.0326(3) Uani 1 1 d . . .
H11A H 0.2492 0.4243 0.3425 0.039 Uiso 1 1 calc R A 1
C12 C 0.19651(13) 0.49449(16) 0.42053(12) 0.0470(4) Uani 1 1 d . B .
H12A H 0.1465 0.4447 0.4075 0.071 Uiso 1 1 calc R . .
H12B H 0.1720 0.5608 0.4237 0.071 Uiso 1 1 calc R . .
H12C H 0.2502 0.4788 0.4775 0.071 Uiso 1 1 calc R . .
C13 C 0.31529(19) 0.5644(3) 0.3804(3) 0.0400(9) Uani 0.810(15) 1 d P B 1
H13A H 0.3641 0.5410 0.4377 0.060 Uiso 0.810(15) 1 calc PR B 1
H13B H 0.2956 0.6319 0.3872 0.060 Uiso 0.810(15) 1 calc PR B 1
H13C H 0.3409 0.5650 0.3367 0.060 Uiso 0.810(15) 1 calc PR B 1
C13A C 0.3253(8) 0.518(2) 0.3581(10) 0.054(6) Uani 0.190(15) 1 d P B 2
H13D H 0.3725 0.4978 0.4175 0.081 Uiso 0.190(15) 1 calc PR B 2
H13E H 0.3300 0.5893 0.3502 0.081 Uiso 0.190(15) 1 calc PR B 2
H13F H 0.3369 0.4813 0.3131 0.081 Uiso 0.190(15) 1 calc PR B 2
C14 C 0.17252(12) 0.49792(13) 0.18906(11) 0.0378(4) Uani 1 1 d . . .
H14A H 0.2393 0.5181 0.2051 0.045 Uiso 1 1 calc R B .
C15 C 0.1635(2) 0.38671(18) 0.1664(2) 0.0874(10) Uani 1 1 d . B .
H15A H 0.1989 0.3480 0.2207 0.131 Uiso 1 1 calc R . .
H15B H 0.1891 0.3735 0.1238 0.131 Uiso 1 1 calc R . .
H15C H 0.0966 0.3674 0.1404 0.131 Uiso 1 1 calc R . .
C16 C 0.10817(16) 0.5590(2) 0.10835(13) 0.0693(7) Uani 1 1 d . B .
H16A H 0.1234 0.6299 0.1203 0.104 Uiso 1 1 calc R . .
H16B H 0.0420 0.5478 0.0961 0.104 Uiso 1 1 calc R . .
H16C H 0.1177 0.5385 0.0568 0.104 Uiso 1 1 calc R . .
Li1 Li 0.09241(18) 0.6496(2) 0.25550(19) 0.0350(6) Uani 1 1 d . . .
N3 N 0.0000 0.75196(13) 0.2500 0.0288(4) Uani 1 2 d S . .
C17 C 0.0370(4) 0.8172(4) 0.3266(4) 0.0296(9) Uani 0.808(3) 1 d P C 3
H17A H 0.0710 0.8740 0.3148 0.035 Uiso 0.808(3) 1 calc PR C 3
C18 C -0.03964(18) 0.85943(18) 0.35231(17) 0.0500(7) Uani 0.808(3) 1 d P C 3
H18A H -0.0868 0.8967 0.3020 0.075 Uiso 0.808(3) 1 calc PR C 3
H18B H -0.0097 0.9039 0.4036 0.075 Uiso 0.808(3) 1 calc PR C 3
H18C H -0.0707 0.8043 0.3675 0.075 Uiso 0.808(3) 1 calc PR C 3
C19 C 0.10789(18) 0.75858(18) 0.40938(15) 0.0530(7) Uani 0.808(3) 1 d P C 3
H19A H 0.1630 0.7389 0.4003 0.080 Uiso 0.808(3) 1 calc PR C 3
H19B H 0.0768 0.6989 0.4178 0.080 Uiso 0.808(3) 1 calc PR C 3
H19C H 0.1285 0.8010 0.4622 0.080 Uiso 0.808(3) 1 calc PR C 3
C17A C 0.0348(19) 0.8040(19) 0.3439(15) 0.032(5) Uani 0.192(3) 1 d P C 4
H17B H -0.0022 0.8675 0.3305 0.039 Uiso 0.192(3) 1 calc PR C 4
C18A C 0.1368(7) 0.8382(8) 0.3624(7) 0.049(3) Uani 0.192(3) 1 d P C 4
H18D H 0.1368 0.8611 0.3069 0.074 Uiso 0.192(3) 1 calc PR C 4
H18E H 0.1807 0.7821 0.3862 0.074 Uiso 0.192(3) 1 calc PR C 4
H18F H 0.1568 0.8928 0.4056 0.074 Uiso 0.192(3) 1 calc PR C 4
C19A C 0.0160(9) 0.7620(9) 0.4024(7) 0.061(4) Uani 0.192(3) 1 d P C 4
H19D H 0.0398 0.6935 0.4117 0.091 Uiso 0.192(3) 1 calc PR C 4
H19E H -0.0527 0.7614 0.3822 0.091 Uiso 0.192(3) 1 calc PR C 4
H19F H 0.0463 0.7991 0.4584 0.091 Uiso 0.192(3) 1 calc PR C 4
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'
K K 0.2009 0.2494 '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
N2 K1 N2 107.29(5) . 2
N2 K1 N1 130.19(4) . 2
N2 K1 N1 111.03(4) 2 2
N2 K1 N1 111.03(4) . .
N2 K1 N1 130.19(4) 2 .
N1 K1 N1 64.22(6) 2 .
N2 K1 C12 104.85(4) . 2
N2 K1 C12 44.72(4) 2 2
N1 K1 C12 82.31(4) 2 2
N1 K1 C12 141.54(5) . 2
N2 K1 C15 138.04(6) . 2
N2 K1 C15 45.88(4) 2 2
N1 K1 C15 91.76(6) 2 2
N1 K1 C15 84.34(5) . 2
C12 K1 C15 78.01(6) 2 2
N2 K1 C11 24.18(3) . .
N2 K1 C11 118.13(4) 2 .
N1 K1 C11 130.09(4) 2 .
N1 K1 C11 89.20(4) . .
C12 K1 C11 128.32(4) 2 .
C15 K1 C11 128.73(7) 2 .
N2 K1 C11 118.13(4) . 2
N2 K1 C11 24.18(3) 2 2
N1 K1 C11 89.20(4) 2 2
N1 K1 C11 130.09(4) . 2
C12 K1 C11 25.16(4) 2 2
C15 K1 C11 53.43(5) 2 2
C11 K1 C11 136.34(5) . 2
N2 K1 Li1 31.00(5) . .
N2 K1 Li1 76.30(5) 2 .
N1 K1 Li1 147.63(5) 2 .
N1 K1 Li1 135.95(5) . .
C12 K1 Li1 82.51(6) 2 .
C15 K1 Li1 112.72(6) 2 .
C11 K1 Li1 47.92(5) . .
C11 K1 Li1 89.07(5) 2 .
N2 K1 Li1 76.30(5) . 2
N2 K1 Li1 31.00(5) 2 2
N1 K1 Li1 135.95(5) 2 2
N1 K1 Li1 147.63(5) . 2
C12 K1 Li1 54.76(5) 2 2
C15 K1 Li1 71.80(6) 2 2
C11 K1 Li1 89.07(5) . 2
C11 K1 Li1 47.92(5) 2 2
Li1 K1 Li1 45.33(8) . 2
C2 N1 C1 109.12(15) . .
C2 N1 C3 111.83(15) . .
C1 N1 C3 107.64(16) . .
C2 N1 K1 105.35(10) . .
C1 N1 K1 113.96(11) . .
C3 N1 K1 109.01(10) . .
N1 C1 H1A 109.5 . .
N1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
N1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
N1 C2 H2A 109.5 . .
N1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
N1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
N1 C3 C3 115.27(15) . 2
N1 C3 H3A 108.5 . .
C3 C3 H3A 108.5 2 .
N1 C3 H3B 108.5 . .
C3 C3 H3B 108.5 2 .
H3A C3 H3B 107.5 . .
C14 N2 C11 112.23(12) . .
C14 N2 Li1 115.96(13) . .
C11 N2 Li1 118.87(13) . .
C14 N2 K1 106.28(9) . .
C11 N2 K1 101.98(8) . .
Li1 N2 K1 98.41(9) . .
N2 C11 C13A 113.8(5) . .
N2 C11 C12 111.38(13) . .
C13A C11 C12 126.5(8) . .
N2 C11 C13 112.56(15) . .
C12 C11 C13 105.6(2) . .
N2 C11 K1 53.84(7) . .
C13A C11 K1 157.6(10) . .
C12 C11 K1 75.14(9) . .
C13 C11 K1 163.63(15) . .
N2 C11 H11A 109.1 . .
C13A C11 H11A 81.5 . .
C12 C11 H11A 109.1 . .
C13 C11 H11A 109.1 . .
K1 C11 H11A 85.6 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C11 C13 H13A 109.5 . .
C11 C13 H13B 109.5 . .
C11 C13 H13C 109.5 . .
C11 C13A H13D 109.5 . .
C11 C13A H13E 109.5 . .
H13D C13A H13E 109.5 . .
C11 C13A H13F 109.5 . .
H13D C13A H13F 109.5 . .
H13E C13A H13F 109.5 . .
N2 C14 C16 108.90(15) . .
N2 C14 C15 114.37(14) . .
C16 C14 C15 110.5(2) . .
N2 C14 H14A 107.6 . .
C16 C14 H14A 107.6 . .
C15 C14 H14A 107.6 . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C14 C16 H16A 109.5 . .
C14 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C14 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
N2 Li1 N3 161.94(16) . .
N2 Li1 Li1 117.89(9) . 2
N3 Li1 Li1 44.14(9) . 2
N2 Li1 K1 50.60(7) . .
N3 Li1 K1 111.48(11) . .
Li1 Li1 K1 67.34(4) 2 .
C17 N3 C17 105.6(4) . 2
C17 N3 C17A 116.3(8) 2 .
C17A N3 C17A 127.7(17) 2 .
C17 N3 Li1 112.3(2) . .
C17 N3 Li1 117.5(2) 2 .
C17A N3 Li1 106.2(7) 2 .
C17A N3 Li1 109.6(11) . .
C17 N3 Li1 117.5(2) . 2
C17 N3 Li1 112.3(2) 2 2
C17A N3 Li1 109.6(11) 2 2
C17A N3 Li1 106.2(7) . 2
Li1 N3 Li1 91.72(17) . 2
N3 C17 C18 114.1(4) . .
N3 C17 C19 109.6(4) . .
C18 C17 C19 106.0(3) . .
N3 C17 H17A 109.0 . .
C18 C17 H17A 109.0 . .
C19 C17 H17A 109.0 . .
C19A C17A C18A 123(2) . .
C19A C17A N3 118.4(17) . .
C18A C17A N3 101.7(13) . .
C19A C17A H17B 103.9 . .
C18A C17A H17B 103.9 . .
N3 C17A H17B 103.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
K1 N2 2.8692(12) .
K1 N2 2.8692(12) 2
K1 N1 2.9067(13) 2
K1 N1 2.9067(13) .
K1 C12 3.4150(19) 2
K1 C15 3.430(2) 2
K1 C11 3.4764(16) .
K1 C11 3.4764(16) 2
N1 C2 1.450(2) .
N1 C1 1.458(2) .
N1 C3 1.466(2) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 C3 1.490(4) 2
C3 H3A 0.9900 .
C3 H3B 0.9900 .
N2 C14 1.4542(19) .
N2 C11 1.4556(19) .
N2 Li1 1.912(3) .
C11 C13A 1.495(11) .
C11 C12 1.502(2) .
C11 C13 1.555(3) .
C11 H11A 1.0000 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C13A H13D 0.9800 .
C13A H13E 0.9800 .
C13A H13F 0.9800 .
C14 C16 1.523(3) .
C14 C15 1.531(3) .
C14 H14A 1.0000 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
Li1 N3 1.972(3) .
Li1 Li1 2.831(5) 2
N3 C17 1.448(6) .
N3 C17 1.448(6) 2
N3 C17A 1.58(2) 2
N3 C17A 1.58(2) .
N3 Li1 1.972(3) 2
C17 C18 1.554(6) .
C17 C19 1.557(6) .
C17 H17A 1.0000 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C17A C19A 1.27(2) .
C17A C18A 1.56(3) .
C17A H17B 1.0000 .
C18A H18D 0.9800 .
C18A H18E 0.9800 .
C18A H18F 0.9800 .
C19A H19D 0.9800 .
C19A H19E 0.9800 .
C19A H19F 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N2 K1 N1 C2 -19.79(12) . .
N2 K1 N1 C2 -157.67(11) 2 .
N1 K1 N1 C2 105.81(13) 2 .
C12 K1 N1 C2 137.93(11) 2 .
C15 K1 N1 C2 -159.48(13) 2 .
C11 K1 N1 C2 -30.42(12) . .
C11 K1 N1 C2 170.53(11) 2 .
Li1 K1 N1 C2 -42.37(14) . .
Li1 K1 N1 C2 -117.42(13) 2 .
N2 K1 N1 C1 99.80(14) . .
N2 K1 N1 C1 -38.08(15) 2 .
N1 K1 N1 C1 -134.60(16) 2 .
C12 K1 N1 C1 -102.48(14) 2 .
C15 K1 N1 C1 -39.89(15) 2 .
C11 K1 N1 C1 89.17(14) . .
C11 K1 N1 C1 -69.88(14) 2 .
Li1 K1 N1 C1 77.22(15) . .
Li1 K1 N1 C1 2.17(18) 2 .
N2 K1 N1 C3 -139.95(12) . .
N2 K1 N1 C3 82.18(13) 2 .
N1 K1 N1 C3 -14.35(10) 2 .
C12 K1 N1 C3 17.77(15) 2 .
C15 K1 N1 C3 80.37(13) 2 .
C11 K1 N1 C3 -150.57(12) . .
C11 K1 N1 C3 50.37(13) 2 .
Li1 K1 N1 C3 -162.52(12) . .
Li1 K1 N1 C3 122.43(14) 2 .
C2 N1 C3 C3 -71.7(2) . 2
C1 N1 C3 C3 168.5(2) . 2
K1 N1 C3 C3 44.4(2) . 2
N2 K1 N2 C14 -121.51(10) 2 .
N1 K1 N2 C14 17.52(11) 2 .
N1 K1 N2 C14 90.95(10) . .
C12 K1 N2 C14 -74.93(10) 2 .
C15 K1 N2 C14 -163.41(11) 2 .
C11 K1 N2 C14 117.70(14) . .
C11 K1 N2 C14 -97.99(10) 2 .
Li1 K1 N2 C14 -120.27(14) . .
Li1 K1 N2 C14 -122.16(11) 2 .
N2 K1 N2 C11 120.79(9) 2 .
N1 K1 N2 C11 -100.18(9) 2 .
N1 K1 N2 C11 -26.75(9) . .
C12 K1 N2 C11 167.37(9) 2 .
C15 K1 N2 C11 78.89(12) 2 .
C11 K1 N2 C11 144.31(7) 2 .
Li1 K1 N2 C11 122.03(13) . .
Li1 K1 N2 C11 120.14(10) 2 .
N2 K1 N2 Li1 -1.24(9) 2 .
N1 K1 N2 Li1 137.79(10) 2 .
N1 K1 N2 Li1 -148.78(10) . .
C12 K1 N2 Li1 45.34(10) 2 .
C15 K1 N2 Li1 -43.14(13) 2 .
C11 K1 N2 Li1 -122.03(13) . .
C11 K1 N2 Li1 22.28(10) 2 .
Li1 K1 N2 Li1 -1.89(13) 2 .
C14 N2 C11 C13A 44.9(15) . .
Li1 N2 C11 C13A -95.0(15) . .
K1 N2 C11 C13A 158.2(15) . .
C14 N2 C11 C12 -164.49(14) . .
Li1 N2 C11 C12 55.58(19) . .
K1 N2 C11 C12 -51.14(14) . .
C14 N2 C11 C13 77.2(3) . .
Li1 N2 C11 C13 -62.8(3) . .
K1 N2 C11 C13 -169.5(2) . .
C14 N2 C11 K1 -113.35(12) . .
Li1 N2 C11 K1 106.72(13) . .
N2 K1 C11 N2 -68.44(11) 2 .
N1 K1 C11 N2 100.63(9) 2 .
N1 K1 C11 N2 155.15(9) . .
C12 K1 C11 N2 -15.63(11) 2 .
C15 K1 C11 N2 -122.76(9) 2 .
C11 K1 C11 N2 -48.18(8) 2 .
Li1 K1 C11 N2 -36.03(9) . .
Li1 K1 C11 N2 -57.18(10) 2 .
N2 K1 C11 C13A -63(3) . .
N2 K1 C11 C13A -131(3) 2 .
N1 K1 C11 C13A 38(3) 2 .
N1 K1 C11 C13A 92(3) . .
C12 K1 C11 C13A -78(3) 2 .
C15 K1 C11 C13A 175(3) 2 .
C11 K1 C11 C13A -111(3) 2 .
Li1 K1 C11 C13A -99(3) . .
Li1 K1 C11 C13A -120(3) 2 .
N2 K1 C11 C12 131.39(14) . .
N2 K1 C11 C12 62.96(10) 2 .
N1 K1 C11 C12 -127.98(10) 2 .
N1 K1 C11 C12 -73.45(10) . .
C12 K1 C11 C12 115.76(12) 2 .
C15 K1 C11 C12 8.63(12) 2 .
C11 K1 C11 C12 83.21(10) 2 .
Li1 K1 C11 C12 95.36(12) . .
Li1 K1 C11 C12 74.22(11) 2 .
N2 K1 C11 C13 36.7(7) . .
N2 K1 C11 C13 -31.7(7) 2 .
N1 K1 C11 C13 137.3(7) 2 .
N1 K1 C11 C13 -168.1(7) . .
C12 K1 C11 C13 21.1(7) 2 .
C15 K1 C11 C13 -86.0(7) 2 .
C11 K1 C11 C13 -11.5(7) 2 .
Li1 K1 C11 C13 0.7(7) . .
Li1 K1 C11 C13 -20.5(7) 2 .
C11 N2 C14 C16 -162.34(15) . .
Li1 N2 C14 C16 -21.2(2) . .
K1 N2 C14 C16 87.00(15) . .
C11 N2 C14 C15 73.5(2) . .
Li1 N2 C14 C15 -145.4(2) . .
K1 N2 C14 C15 -37.2(2) . .
C14 N2 Li1 N3 120.5(5) . .
C11 N2 Li1 N3 -101.0(5) . .
K1 N2 Li1 N3 7.8(6) . .
C14 N2 Li1 Li1 115.47(19) . 2
C11 N2 Li1 Li1 -106.03(19) . 2
K1 N2 Li1 Li1 2.70(19) . 2
C14 N2 Li1 K1 112.77(12) . .
C11 N2 Li1 K1 -108.73(12) . .
N2 K1 Li1 N2 178.79(9) 2 .
N1 K1 Li1 N2 -73.43(13) 2 .
N1 K1 Li1 N2 44.09(13) . .
C12 K1 Li1 N2 -136.10(10) 2 .
C15 K1 Li1 N2 150.29(9) 2 .
C11 K1 Li1 N2 27.89(7) . .
C11 K1 Li1 N2 -160.47(9) 2 .
Li1 K1 Li1 N2 177.42(18) 2 .
N2 K1 Li1 N3 -177.42(18) . .
N2 K1 Li1 N3 1.37(10) 2 .
N1 K1 Li1 N3 109.15(12) 2 .
N1 K1 Li1 N3 -133.33(9) . .
C12 K1 Li1 N3 46.49(11) 2 .
C15 K1 Li1 N3 -27.13(13) 2 .
C11 K1 Li1 N3 -149.52(15) . .
C11 K1 Li1 N3 22.12(11) 2 .
Li1 K1 Li1 N3 0.0 2 .
N2 K1 Li1 Li1 -177.42(18) . 2
N2 K1 Li1 Li1 1.37(10) 2 2
N1 K1 Li1 Li1 109.15(12) 2 2
N1 K1 Li1 Li1 -133.33(9) . 2
C12 K1 Li1 Li1 46.49(11) 2 2
C15 K1 Li1 Li1 -27.13(13) 2 2
C11 K1 Li1 Li1 -149.52(15) . 2
C11 K1 Li1 Li1 22.12(11) 2 2
N2 Li1 N3 C17 114.4(6) . .
Li1 Li1 N3 C17 120.8(2) 2 .
K1 Li1 N3 C17 120.8(2) . .
N2 Li1 N3 C17 -122.8(6) . 2
Li1 Li1 N3 C17 -116.3(2) 2 2
K1 Li1 N3 C17 -116.3(2) . 2
N2 Li1 N3 C17A -117.4(12) . 2
Li1 Li1 N3 C17A -111.0(11) 2 2
K1 Li1 N3 C17A -111.0(11) . 2
N2 Li1 N3 C17A 101.4(9) . .
Li1 Li1 N3 C17A 107.9(8) 2 .
K1 Li1 N3 C17A 107.9(8) . .
N2 Li1 N3 Li1 -6.5(5) . 2
K1 Li1 N3 Li1 0.0 . 2
C17 N3 C17 C18 80.7(3) 2 .
C17A N3 C17 C18 87.4(12) 2 .
C17A N3 C17 C18 -70(6) . .
Li1 N3 C17 C18 -150.0(3) . .
Li1 N3 C17 C18 -45.5(4) 2 .
C17 N3 C17 C19 -160.6(4) 2 .
C17A N3 C17 C19 -153.9(9) 2 .
C17A N3 C17 C19 48(6) . .
Li1 N3 C17 C19 -31.3(4) . .
Li1 N3 C17 C19 73.2(4) 2 .
C17 N3 C17A C19A 171(8) . .
C17 N3 C17A C19A 139.6(17) 2 .
C17A N3 C17A C19A 145(3) 2 .
Li1 N3 C17A C19A -84(2) . .
Li1 N3 C17A C19A 14(2) 2 .
C17 N3 C17A C18A -51(5) . .
C17 N3 C17A C18A -82.5(17) 2 .
C17A N3 C17A C18A -76.5(11) 2 .
Li1 N3 C17A C18A 53.9(13) . .
Li1 N3 C17A C18A 151.7(10) 2 .
