#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:44:02 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179391 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/88/4328869.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_4328869
loop_
_publ_author_name
'Shivaiah Vaddypally'
'Sandeep K. Kondaveeti'
'Michael J. Zdilla'
_publ_section_title
;
 Synthesis of a High-Valent, Four-Coordinate Manganese Cubane Cluster with
 a Pendant Mn Atom: Photosystem II-Inspired Manganese-Nitrogen Clusters
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3950
_journal_page_last               3952
_journal_paper_doi               10.1021/ic300502s
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety
'(Mn5 N12 Li3 C40 H90)0.48, (Mn4 N11 Li4 C40 H90)0.52, (C5 H12)'
_chemical_formula_sum            'C45 H102 Li3.52 Mn4.49 N11.49'
_chemical_formula_weight         1074.97
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.578(6)
_cell_length_b                   16.627(3)
_cell_length_c                   12.535(3)
_cell_measurement_reflns_used    3208
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      21.14
_cell_measurement_theta_min      2.457
_cell_volume                     6165(2)
_computing_cell_refinement       'SAINT (Bruker, AXS)'
_computing_data_collection       'COSMO (Bruker, AXS)'
_computing_data_reduction        'SADABS (Bruker, AXS)'
_computing_molecular_graphics    'XP (Sheldrick, 2008)'
_computing_publication_material  'APEX2 (Bruker AXS)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Kappa APEX II DUO'
_diffrn_measurement_method       'phi and omega sans'
_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  0.0674
_diffrn_reflns_av_sigmaI/netI    0.0369
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            19150
_diffrn_reflns_theta_full        19.27
_diffrn_reflns_theta_max         19.27
_diffrn_reflns_theta_min         1.38
_exptl_absorpt_coefficient_mu    0.932
_exptl_absorpt_correction_T_max  0.9292
_exptl_absorpt_correction_T_min  0.8356
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 26259 Corrected reflections written to file 
 Estimated minimum and maximum transmission:  0.5055  0.5604
 The ratio of these values is more reliable than their absolute values!
 Additional spherical absorption correction applied with mu*r =  0.4000
 Lambda/2 correction factor = 0.0015
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.158
_exptl_crystal_description       block
_exptl_crystal_F_000             2300
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.648
_refine_diff_density_min         -0.361
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         2708
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0785
_refine_ls_R_factor_gt           0.0594
_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)+(0.0767P)²+32.9892P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1459
_refine_ls_wR_factor_ref         0.1583
_reflns_number_gt                2126
_reflns_number_total             2708
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic300502s_si_002_1.cif
_cod_data_source_block           1
_cod_database_code               4328869
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -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
Mn1 Mn 0.25826(6) 0.2500 0.31691(14) 0.0380(6) Uani 1 2 d S . .
Mn2 Mn 0.28500(5) 0.2500 0.50874(12) 0.0226(5) Uani 1 2 d S . .
Mn3 Mn 0.32975(4) 0.17404(7) 0.37107(10) 0.0359(5) Uani 1 1 d . . .
Mn4 Mn 0.43941(11) 0.2500 0.6394(3) 0.0374(16) Uani 0.485(8) 2 d SP . 1
N1 N 0.26836(19) 0.1643(3) 0.4165(4) 0.0231(16) Uani 1 1 d . . .
N2 N 0.3182(3) 0.2500 0.2614(6) 0.028(2) Uani 1 2 d S . .
N3 N 0.3468(3) 0.2500 0.4760(7) 0.026(2) Uani 1 2 d S . .
N11 N 0.2135(3) 0.2500 0.2370(8) 0.042(3) Uani 1 2 d S . .
N21 N 0.2703(3) 0.2500 0.6380(7) 0.028(2) Uani 1 2 d S . .
N31 N 0.3638(2) 0.0944(4) 0.3533(5) 0.0461(19) Uani 1 1 d . . .
N41 N 0.3987(3) 0.1580(4) 0.6568(6) 0.060(2) Uani 1 1 d . . .
N42 N 0.4542(2) 0.2500 0.4886(8) 0.052(3) Uani 1 2 d SD . .
N51 N 0.4820(6) 0.2500 0.7122(17) 0.056(7) Uani 0.485(8) 2 d SP . 1
Li2 Li 0.3530(6) 0.2500 0.6490(14) 0.031(5) Uani 1 2 d S . .
Li3 Li 0.4035(4) 0.1646(8) 0.4974(11) 0.040(4) Uani 1 1 d . . .
Li4 Li 0.43941(11) 0.2500 0.6394(3) 0.0374(16) Uani 0.515(8) 2 d SP . 2
C1S C 0.5369(12) 0.1071(17) 0.0275(19) 0.32(2) Uani 1 1 d . . .
H1SA H 0.5538 0.0579 0.0108 0.484 Uiso 1 1 calc R . .
H1SB H 0.5053 0.1005 0.0056 0.484 Uiso 1 1 calc R . .
H1SC H 0.5383 0.1172 0.1044 0.484 Uiso 1 1 calc R . .
C2S C 0.5573(9) 0.176(2) -0.031(2) 0.259(14) Uani 1 1 d . . .
H2SA H 0.5905 0.1769 -0.0217 0.311 Uiso 1 1 calc R . .
H2SB H 0.5504 0.1729 -0.1081 0.311 Uiso 1 1 calc R . .
C3S C 0.5368(11) 0.2500 0.016(2) 0.186(13) Uani 1 2 d S . .
H3SA H 0.5038 0.2500 0.0028 0.223 Uiso 1 2 calc SR . .
H3SB H 0.5416 0.2500 0.0943 0.223 Uiso 1 2 calc SR . .
C11 C 0.2409(3) 0.0919(5) 0.4374(6) 0.033(2) Uani 1 1 d . . .
C12 C 0.2379(3) 0.0431(5) 0.3353(6) 0.046(2) Uani 1 1 d . . .
H12A H 0.2228 0.0751 0.2801 0.069 Uiso 1 1 calc R . .
H12B H 0.2204 -0.0060 0.3487 0.069 Uiso 1 1 calc R . .
H12C H 0.2684 0.0287 0.3114 0.069 Uiso 1 1 calc R . .
C13 C 0.1934(3) 0.1172(5) 0.4708(7) 0.050(3) Uani 1 1 d . . .
H13A H 0.1794 0.1485 0.4133 0.075 Uiso 1 1 calc R . .
H13B H 0.1951 0.1503 0.5354 0.075 Uiso 1 1 calc R . .
H13C H 0.1751 0.0693 0.4851 0.075 Uiso 1 1 calc R . .
C14 C 0.2627(3) 0.0427(5) 0.5251(7) 0.056(3) Uani 1 1 d . . .
H14A H 0.2932 0.0264 0.5028 0.084 Uiso 1 1 calc R . .
H14B H 0.2444 -0.0053 0.5389 0.084 Uiso 1 1 calc R . .
H14C H 0.2647 0.0751 0.5902 0.084 Uiso 1 1 calc R . .
C21 C 0.3336(4) 0.2500 0.1470(10) 0.049(4) Uani 1 2 d S . .
C22 C 0.3849(4) 0.2500 0.1423(10) 0.064(4) Uani 1 2 d S . .
H22A H 0.3965 0.2992 0.1755 0.096 Uiso 0.50 1 calc PR A -1
H22B H 0.3948 0.2477 0.0677 0.096 Uiso 0.50 1 calc PR A -1
H22C H 0.3966 0.2031 0.1807 0.096 Uiso 0.50 1 calc PR A -1
C23 C 0.3146(3) 0.1744(7) 0.0931(7) 0.072(3) Uani 1 1 d . . .
H23A H 0.3275 0.1265 0.1269 0.107 Uiso 1 1 calc R . .
H23B H 0.3225 0.1749 0.0172 0.107 Uiso 1 1 calc R . .
H23C H 0.2816 0.1734 0.1009 0.107 Uiso 1 1 calc R . .
C31 C 0.3884(4) 0.0214(6) 0.3254(7) 0.051(3) Uani 1 1 d . . .
C32 C 0.3695(8) -0.0503(13) 0.398(2) 0.037(8) Uani 0.40(2) 1 d P B 1
H32A H 0.3450 -0.0301 0.4437 0.055 Uiso 0.40(2) 1 calc PR B 1
H32B H 0.3939 -0.0713 0.4431 0.055 Uiso 0.40(2) 1 calc PR B 1
H32C H 0.3579 -0.0935 0.3525 0.055 Uiso 0.40(2) 1 calc PR B 1
C32" C 0.4228(8) 0.0442(12) 0.233(2) 0.097(10) Uani 0.60(2) 1 d P B 2
H32D H 0.4501 0.0681 0.2635 0.146 Uiso 0.60(2) 1 calc PR B 2
H32E H 0.4085 0.0829 0.1841 0.146 Uiso 0.60(2) 1 calc PR B 2
H32F H 0.4310 -0.0045 0.1927 0.146 Uiso 0.60(2) 1 calc PR B 2
C33 C 0.4327(12) 0.0276(17) 0.336(3) 0.072(11) Uani 0.40(2) 1 d P B 1
H33A H 0.4414 0.0123 0.4087 0.109 Uiso 0.40(2) 1 calc PR B 1
H33B H 0.4420 0.0832 0.3225 0.109 Uiso 0.40(2) 1 calc PR B 1
H33C H 0.4477 -0.0082 0.2849 0.109 Uiso 0.40(2) 1 calc PR B 1
C33" C 0.3600(7) -0.0390(13) 0.296(3) 0.124(18) Uani 0.60(2) 1 d P B 2
H33D H 0.3388 -0.0504 0.3536 0.187 Uiso 0.60(2) 1 calc PR B 2
H33E H 0.3777 -0.0874 0.2796 0.187 Uiso 0.60(2) 1 calc PR B 2
H33F H 0.3432 -0.0226 0.2318 0.187 Uiso 0.60(2) 1 calc PR B 2
C34 C 0.3732(13) 0.0002(17) 0.210(2) 0.074(12) Uani 0.40(2) 1 d P B 1
H34A H 0.3422 -0.0208 0.2118 0.111 Uiso 0.40(2) 1 calc PR B 1
H34B H 0.3935 -0.0405 0.1805 0.111 Uiso 0.40(2) 1 calc PR B 1
H34C H 0.3742 0.0487 0.1658 0.111 Uiso 0.40(2) 1 calc PR B 1
C34" C 0.4210(10) 0.0024(18) 0.413(2) 0.129(13) Uani 0.60(2) 1 d P B 2
H34D H 0.4043 -0.0143 0.4771 0.193 Uiso 0.60(2) 1 calc PR B 2
H34E H 0.4390 0.0504 0.4298 0.193 Uiso 0.60(2) 1 calc PR B 2
H34F H 0.4412 -0.0411 0.3907 0.193 Uiso 0.60(2) 1 calc PR B 2
C42' C 0.5082(5) 0.17598(16) 0.3848(11) 0.21(6) Uani 0.33(5) 1 d PD . 2
H42I H 0.5147 0.1304 0.4318 0.310 Uiso 0.33(5) 1 calc PR . 2
H42J H 0.5344 0.1864 0.3391 0.310 Uiso 0.33(5) 1 calc PR . 2
H42K H 0.4819 0.1634 0.3402 0.310 Uiso 0.33(5) 1 calc PR . 2
C42" C 0.5312(5) 0.2500 0.5458(16) 0.22(6) Uani 0.33(5) 2 d SPD . 2
H42A H 0.5255 0.2972 0.5907 0.337 Uiso 0.16(2) 1 calc PR . 2
H42B H 0.5623 0.2518 0.5190 0.337 Uiso 0.33(5) 2 calc SPR . 2
H42L H 0.5269 0.2010 0.5881 0.337 Uiso 0.16(2) 1 calc PR . 2
C111 C 0.1751(5) 0.2500 0.1688(12) 0.061(4) Uani 1 2 d S . .
C112 C 0.1745(5) 0.1792(9) 0.0986(13) 0.167(8) Uani 1 1 d . . .
H11A H 0.2024 0.1775 0.0566 0.251 Uiso 1 1 calc R . .
H11B H 0.1485 0.1825 0.0504 0.251 Uiso 1 1 calc R . .
H11C H 0.1722 0.1303 0.1419 0.251 Uiso 1 1 calc R . .
C113 C 0.1333(5) 0.2500 0.2378(15) 0.25(2) Uani 1 2 d S . .
H11D H 0.1340 0.2966 0.2856 0.382 Uiso 0.50 1 calc PR C -1
H11E H 0.1324 0.2005 0.2802 0.382 Uiso 0.50 1 calc PR C -1
H11F H 0.1064 0.2529 0.1924 0.382 Uiso 0.50 1 calc PR C -1
C211 C 0.2506(4) 0.2500 0.7421(9) 0.032(3) Uani 1 2 d S . .
C212 C 0.2015(6) 0.2500 0.7357(14) 0.195(15) Uani 1 2 d S . .
H21A H 0.1888 0.2500 0.8079 0.292 Uiso 0.50 1 calc PR D -1
H21B H 0.1914 0.2019 0.6975 0.292 Uiso 0.50 1 calc PR D -1
H21C H 0.1914 0.2981 0.6975 0.292 Uiso 0.50 1 calc PR D -1
C213 C 0.2652(6) 0.1799(8) 0.8014(9) 0.173(9) Uani 1 1 d . . .
H21D H 0.2982 0.1793 0.8056 0.259 Uiso 1 1 calc R . .
H21E H 0.2546 0.1311 0.7652 0.259 Uiso 1 1 calc R . .
H21F H 0.2525 0.1818 0.8736 0.259 Uiso 1 1 calc R . .
C411 C 0.4114(3) 0.0985(6) 0.7353(7) 0.047(2) Uani 1 1 d . . .
C412 C 0.3778(6) 0.0340(10) 0.7248(15) 0.185(8) Uani 1 1 d . . .
H41A H 0.3793 0.0113 0.6528 0.277 Uiso 1 1 calc R . .
H41B H 0.3475 0.0560 0.7374 0.277 Uiso 1 1 calc R . .
H41C H 0.3841 -0.0082 0.7773 0.277 Uiso 1 1 calc R . .
C413 C 0.4027(7) 0.1239(9) 0.8490(10) 0.175(8) Uani 1 1 d . . .
H41D H 0.4245 0.1656 0.8694 0.262 Uiso 1 1 calc R . .
H41E H 0.4061 0.0774 0.8964 0.262 Uiso 1 1 calc R . .
H41F H 0.3719 0.1452 0.8551 0.262 Uiso 1 1 calc R . .
C414 C 0.4553(5) 0.0671(14) 0.7243(13) 0.252(14) Uani 1 1 d . . .
H41G H 0.4775 0.1102 0.7348 0.378 Uiso 1 1 calc R . .
H41H H 0.4589 0.0443 0.6526 0.378 Uiso 1 1 calc R . .
H41I H 0.4602 0.0249 0.7777 0.378 Uiso 1 1 calc R . .
C421 C 0.4982(3) 0.2500 0.4517(8) 0.048(4) Uani 1 2 d SD . .
C422 C 0.5240(3) 0.17594(16) 0.4871(12) 0.103(15) Uani 0.67(5) 1 d PD . 1
H42C H 0.5248 0.1739 0.5652 0.154 Uiso 0.67(5) 1 calc PR . 1
H42G H 0.5550 0.1784 0.4593 0.154 Uiso 0.67(5) 1 calc PR . 1
H42H H 0.5090 0.1277 0.4596 0.154 Uiso 0.67(5) 1 calc PR . 1
C423 C 0.4980(6) 0.2500 0.3290(8) 0.111(13) Uani 0.67(5) 2 d SPD . 1
H42D H 0.4823 0.2981 0.3031 0.166 Uiso 0.34(2) 1 calc PR . 1
H42E H 0.4824 0.2018 0.3031 0.166 Uiso 0.34(2) 1 calc PR . 1
H42F H 0.5292 0.2501 0.3027 0.166 Uiso 0.67(5) 2 calc SPR . 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 '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'
Mn Mn 0.3368 0.7283 '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
N11 Mn1 N2 121.4(4) . .
N11 Mn1 N1 121.2(2) . .
N2 Mn1 N1 95.3(2) . .
N11 Mn1 N1 121.2(2) . 7_565
N2 Mn1 N1 95.3(2) . 7_565
N1 Mn1 N1 96.0(3) . 7_565
N11 Mn1 Mn2 145.4(3) . .
N2 Mn1 Mn2 93.2(2) . .
N1 Mn1 Mn2 48.17(17) . .
N1 Mn1 Mn2 48.17(17) 7_565 .
N11 Mn1 Mn3 145.10(17) . 7_565
N2 Mn1 Mn3 47.68(18) . 7_565
N1 Mn1 Mn3 93.74(18) . 7_565
N1 Mn1 Mn3 47.99(17) 7_565 7_565
Mn2 Mn1 Mn3 59.27(5) . 7_565
N11 Mn1 Mn3 145.10(17) . .
N2 Mn1 Mn3 47.68(18) . .
N1 Mn1 Mn3 47.99(17) . .
N1 Mn1 Mn3 93.74(18) 7_565 .
Mn2 Mn1 Mn3 59.27(5) . .
Mn3 Mn1 Mn3 59.25(7) 7_565 .
N21 Mn2 N3 117.7(4) . .
N21 Mn2 N1 121.4(2) . 7_565
N3 Mn2 N1 96.9(2) . 7_565
N21 Mn2 N1 121.4(2) . .
N3 Mn2 N1 96.9(2) . .
N1 Mn2 N1 97.2(3) 7_565 .
N21 Mn2 Mn3 143.07(17) . 7_565
N3 Mn2 Mn3 48.43(19) . 7_565
N1 Mn2 Mn3 48.85(17) 7_565 7_565
N1 Mn2 Mn3 95.47(18) . 7_565
N21 Mn2 Mn3 143.07(17) . .
N3 Mn2 Mn3 48.43(19) . .
N1 Mn2 Mn3 95.47(18) 7_565 .
N1 Mn2 Mn3 48.86(17) . .
Mn3 Mn2 Mn3 60.29(7) 7_565 .
N21 Mn2 Mn1 146.7(3) . .
N3 Mn2 Mn1 95.6(3) . .
N1 Mn2 Mn1 48.77(17) 7_565 .
N1 Mn2 Mn1 48.76(17) . .
Mn3 Mn2 Mn1 60.84(5) 7_565 .
Mn3 Mn2 Mn1 60.84(5) . .
N21 Mn2 Li2 63.9(5) . .
N3 Mn2 Li2 53.8(4) . .
N1 Mn2 Li2 126.6(2) 7_565 .
N1 Mn2 Li2 126.6(2) . .
Mn3 Mn2 Li2 93.2(3) 7_565 .
Mn3 Mn2 Li2 93.2(3) . .
Mn1 Mn2 Li2 149.4(4) . .
N31 Mn3 N3 117.3(3) . .
N31 Mn3 N2 122.5(3) . .
N3 Mn3 N2 96.2(2) . .
N31 Mn3 N1 122.9(3) . .
N3 Mn3 N1 95.9(3) . .
N2 Mn3 N1 95.8(3) . .
N31 Mn3 Mn2 143.4(2) . .
N3 Mn3 Mn2 47.8(2) . .
N2 Mn3 Mn2 93.9(2) . .
N1 Mn3 Mn2 48.52(17) . .
N31 Mn3 Mn3 142.1(2) . 7_565
N3 Mn3 Mn3 48.14(17) . 7_565
N2 Mn3 Mn3 48.29(16) . 7_565
N1 Mn3 Mn3 94.86(18) . 7_565
Mn2 Mn3 Mn3 59.86(3) . 7_565
N31 Mn3 Mn1 148.3(2) . .
N3 Mn3 Mn1 94.4(2) . .
N2 Mn3 Mn1 47.9(3) . .
N1 Mn3 Mn1 48.25(18) . .
Mn2 Mn3 Mn1 59.90(6) . .
Mn3 Mn3 Mn1 60.37(3) 7_565 .
N31 Mn3 Li3 63.1(4) . .
N3 Mn3 Li3 54.2(4) . .
N2 Mn3 Li3 127.5(4) . .
N1 Mn3 Li3 126.0(3) . .
Mn2 Mn3 Li3 93.0(3) . .
Mn3 Mn3 Li3 93.4(3) 7_565 .
Mn1 Mn3 Li3 148.6(3) . .
N51 Mn4 N42 112.9(8) . .
N51 Mn4 N41 115.6(5) . 7_565
N42 Mn4 N41 104.3(3) . 7_565
N51 Mn4 N41 115.6(5) . .
N42 Mn4 N41 104.3(3) . .
N41 Mn4 N41 102.7(4) 7_565 .
N51 Mn4 Li3 139.3(5) . .
N42 Mn4 Li3 53.5(4) . .
N41 Mn4 Li3 105.1(4) 7_565 .
N41 Mn4 Li3 51.5(4) . .
N51 Mn4 Li3 139.3(5) . 7_565
N42 Mn4 Li3 53.5(4) . 7_565
N41 Mn4 Li3 51.5(4) 7_565 7_565
N41 Mn4 Li3 105.1(4) . 7_565
Li3 Mn4 Li3 68.8(6) . 7_565
N51 Mn4 Li2 141.3(9) . .
N42 Mn4 Li2 105.8(5) . .
N41 Mn4 Li2 51.7(2) 7_565 .
N41 Mn4 Li2 51.7(2) . .
Li3 Mn4 Li2 67.1(4) . .
Li3 Mn4 Li2 67.1(4) 7_565 .
C11 N1 Mn2 130.2(5) . .
C11 N1 Mn3 130.2(5) . .
Mn2 N1 Mn3 82.6(2) . .
C11 N1 Mn1 129.5(5) . .
Mn2 N1 Mn1 83.1(2) . .
Mn3 N1 Mn1 83.8(2) . .
C21 N2 Mn3 129.5(4) . 7_565
C21 N2 Mn3 129.5(4) . .
Mn3 N2 Mn3 83.4(3) 7_565 .
C21 N2 Mn1 129.0(7) . .
Mn3 N2 Mn1 84.4(3) 7_565 .
Mn3 N2 Mn1 84.4(3) . .
Mn2 N3 Mn3 83.8(3) . .
Mn2 N3 Mn3 83.8(3) . 7_565
Mn3 N3 Mn3 83.7(3) . 7_565
Mn2 N3 Li2 82.2(6) . .
Mn3 N3 Li2 135.7(3) . .
Mn3 N3 Li2 135.7(3) 7_565 .
Mn2 N3 Li3 135.4(4) . 7_565
Mn3 N3 Li3 135.6(6) . 7_565
Mn3 N3 Li3 81.8(4) 7_565 7_565
Li2 N3 Li3 79.4(6) . 7_565
Mn2 N3 Li3 135.4(4) . .
Mn3 N3 Li3 81.8(4) . .
Mn3 N3 Li3 135.6(6) 7_565 .
Li2 N3 Li3 79.4(6) . .
Li3 N3 Li3 79.9(7) 7_565 .
C111 N11 Mn1 179.8(9) . .
C211 N21 Mn2 171.0(8) . .
C211 N21 Li2 110.8(7) . .
Mn2 N21 Li2 78.2(5) . .
C31 N31 Mn3 171.2(7) . .
C31 N31 Li3 109.5(6) . .
Mn3 N31 Li3 79.3(4) . .
C411 N41 Mn4 116.8(6) . .
C411 N41 Li3 134.2(7) . .
Mn4 N41 Li3 78.7(5) . .
C411 N41 Li2 135.8(7) . .
Mn4 N41 Li2 79.4(5) . .
Li3 N41 Li2 87.6(7) . .
C421 N42 Mn4 122.6(7) . .
C421 N42 Li3 134.5(4) . .
Mn4 N42 Li3 77.6(5) . .
C421 N42 Li3 134.5(5) . 7_565
Mn4 N42 Li3 77.6(5) . 7_565
Li3 N42 Li3 86.7(8) . 7_565
N41 Li2 N41 97.0(9) 7_565 .
N41 Li2 N3 95.9(6) 7_565 .
N41 Li2 N3 95.9(6) . .
N41 Li2 N21 131.5(4) 7_565 .
N41 Li2 N21 131.5(4) . .
N3 Li2 N21 81.9(7) . .
N41 Li2 Mn4 48.8(4) 7_565 .
N41 Li2 Mn4 48.8(4) . .
N3 Li2 Mn4 92.1(7) . .
N21 Li2 Mn4 174.1(8) . .
N41 Li2 Mn2 121.9(6) 7_565 .
N41 Li2 Mn2 121.9(6) . .
N3 Li2 Mn2 44.0(4) . .
N21 Li2 Mn2 37.9(3) . .
Mn4 Li2 Mn2 136.1(7) . .
N41 Li2 Li3 45.7(4) 7_565 7_565
N41 Li2 Li3 93.4(7) . 7_565
N3 Li2 Li3 50.9(4) . 7_565
N21 Li2 Li3 119.5(6) . 7_565
Mn4 Li2 Li3 55.7(4) . 7_565
Mn2 Li2 Li3 87.4(5) . 7_565
N41 Li2 Li3 93.4(7) 7_565 .
N41 Li2 Li3 45.7(4) . .
N3 Li2 Li3 50.9(4) . .
N21 Li2 Li3 119.5(6) . .
Mn4 Li2 Li3 55.7(4) . .
Mn2 Li2 Li3 87.4(5) . .
Li3 Li2 Li3 60.9(6) 7_565 .
N41 Li3 N42 98.1(7) . .
N41 Li3 N3 95.9(7) . .
N42 Li3 N3 95.8(6) . .
N41 Li3 N31 132.4(7) . .
N42 Li3 N31 129.4(7) . .
N3 Li3 N31 81.6(5) . .
N41 Li3 Mn4 49.8(4) . .
N42 Li3 Mn4 48.9(4) . .
N3 Li3 Mn4 92.5(5) . .
N31 Li3 Mn4 173.8(6) . .
N41 Li3 Mn3 122.1(6) . .
N42 Li3 Mn3 121.0(6) . .
N3 Li3 Mn3 44.0(3) . .
N31 Li3 Mn3 37.7(2) . .
Mn4 Li3 Mn3 136.4(6) . .
N41 Li3 Li2 46.8(5) . .
N42 Li3 Li2 94.3(6) . .
N3 Li3 Li2 49.7(5) . .
N31 Li3 Li2 119.1(6) . .
Mn4 Li3 Li2 57.2(5) . .
Mn3 Li3 Li2 86.5(5) . .
N41 Li3 Li3 93.1(4) . 7_565
N42 Li3 Li3 46.7(4) . 7_565
N3 Li3 Li3 50.0(4) . 7_565
N31 Li3 Li3 118.5(3) . 7_565
Mn4 Li3 Li3 55.6(3) . 7_565
Mn3 Li3 Li3 86.7(3) . 7_565
Li2 Li3 Li3 59.5(3) . 7_565
C3S C2S C1S 106(3) . .
C2S C3S C2S 111(4) 7_565 .
N1 C11 C14 109.7(6) . .
N1 C11 C12 108.6(6) . .
C14 C11 C12 110.4(7) . .
N1 C11 C13 109.3(6) . .
C14 C11 C13 110.0(7) . .
C12 C11 C13 108.9(7) . .
N2 C21 C22 109.8(10) . .
N2 C21 C23 108.0(7) . 7_565
C22 C21 C23 110.4(7) . 7_565
N2 C21 C23 108.0(7) . .
C22 C21 C23 110.4(7) . .
C23 C21 C23 110.1(11) 7_565 .
C33 C31 C33" 134.2(16) . .
C33 C31 N31 113.9(15) . .
C33" C31 N31 111.9(11) . .
C33 C31 C34" 45.8(17) . .
C33" C31 C34" 116(2) . .
N31 C31 C34" 108.6(11) . .
C33 C31 C34 114(2) . .
C33" C31 C34 53.0(17) . .
N31 C31 C34 105.5(12) . .
C34" C31 C34 145.4(15) . .
C33 C31 C32" 54.6(17) . .
C33" C31 C32" 111.6(18) . .
N31 C31 C32" 107.3(9) . .
C34" C31 C32" 100.1(19) . .
C34 C31 C32" 63.9(15) . .
C33 C31 C32 110.3(18) . .
C33" C31 C32 52.6(17) . .
N31 C31 C32 108.0(10) . .
C34" C31 C32 69.5(15) . .
C34 C31 C32 105.1(19) . .
C32" C31 C32 144.7(12) . .
N11 C111 C112 111.7(8) . 7_565
N11 C111 C112 111.7(8) . .
C112 C111 C112 106.4(17) 7_565 .
N11 C111 C113 108.1(12) . .
C112 C111 C113 109.5(10) 7_565 .
C112 C111 C113 109.5(10) . .
N21 C211 C213 110.3(7) . 7_565
N21 C211 C213 110.3(7) . .
C213 C211 C213 107.2(16) 7_565 .
N21 C211 C212 110.9(10) . .
C213 C211 C212 109.0(10) 7_565 .
C213 C211 C212 109.0(10) . .
C414 C411 N41 115.3(9) . .
C414 C411 C412 110.3(14) . .
N41 C411 C412 105.2(9) . .
C414 C411 C413 110.7(12) . .
N41 C411 C413 114.0(8) . .
C412 C411 C413 100.0(12) . .
N42 C421 C422 112.2(4) . 7_565
N42 C421 C422 112.2(4) . .
C422 C421 C422 108.6(5) 7_565 .
N42 C421 C42' 111.6(4) . .
C422 C421 C42' 136.2(6) 7_565 .
C422 C421 C42' 53.5(5) . .
N42 C421 C42' 111.6(4) . 7_565
C422 C421 C42' 53.5(5) 7_565 7_565
C422 C421 C42' 136.2(6) . 7_565
C42' C421 C42' 108.3(5) . 7_565
N42 C421 C42" 110.0(5) . .
C422 C421 C42" 56.8(3) 7_565 .
C422 C421 C42" 56.8(3) . .
C42' C421 C42" 107.5(4) . .
C42' C421 C42" 107.5(4) 7_565 .
N42 C421 C423 109.4(5) . .
C422 C421 C423 107.1(4) 7_565 .
C422 C421 C423 107.1(4) . .
C42' C421 C423 56.5(3) . .
C42' C421 C423 56.5(3) 7_565 .
C42" C421 C423 140.6(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 N11 1.660(10) .
Mn1 N2 1.905(8) .
Mn1 N1 1.918(6) .
Mn1 N1 1.918(6) 7_565
Mn1 Mn2 2.531(2) .
Mn1 Mn3 2.555(2) 7_565
Mn1 Mn3 2.555(2) .
Mn2 N21 1.677(9) .
Mn2 N3 1.875(8) .
Mn2 N1 1.900(6) 7_565
Mn2 N1 1.900(6) .
Mn2 Mn3 2.5150(18) 7_565
Mn2 Mn3 2.5150(18) .
Mn2 Li2 2.672(18) .
Mn3 N31 1.678(7) .
Mn3 N3 1.893(6) .
Mn3 N2 1.898(6) .
Mn3 N1 1.910(6) .
Mn3 Mn3 2.526(2) 7_565
Mn3 Li3 2.699(12) .
Mn4 N51 1.555(19) .
Mn4 N42 1.940(10) .
Mn4 N41 1.959(8) 7_565
Mn4 N41 1.959(8) .
Mn4 Li3 2.514(13) .
Mn4 Li3 2.514(13) 7_565
Mn4 Li2 2.558(18) .
N1 C11 1.475(9) .
N2 C21 1.503(14) .
N2 Mn3 1.898(6) 7_565
N3 Mn3 1.893(6) 7_565
N3 Li2 2.176(19) .
N3 Li3 2.212(14) 7_565
N3 Li3 2.212(14) .
N11 C111 1.422(16) .
N21 C211 1.429(13) .
N21 Li2 2.452(19) .
N31 C31 1.458(11) .
N31 Li3 2.449(15) .
N41 C411 1.445(11) .
N41 Li3 2.006(15) .
N41 Li2 2.043(13) .
N42 C421 1.380(8) .
N42 Li3 2.070(14) .
N42 Li3 2.070(14) 7_565
Li2 N41 2.043(13) 7_565
Li2 Li3 2.80(2) 7_565
Li2 Li3 2.80(2) .
Li3 Li3 2.84(3) 7_565
C1S C2S 1.49(4) .
C2S C3S 1.49(3) .
C3S C2S 1.49(3) 7_565
C11 C14 1.514(11) .
C11 C12 1.518(11) .
C11 C13 1.528(11) .
C21 C22 1.521(17) .
C21 C23 1.534(11) 7_565
C21 C23 1.534(11) .
C31 C33 1.32(3) .
C31 C33" 1.36(2) .
C31 C34" 1.50(3) .
C31 C34 1.55(3) .
C31 C32" 1.59(2) .
C31 C32 1.60(2) .
C42' C421 1.519(4) .
C42" C421 1.532(5) .
C111 C112 1.470(15) 7_565
C111 C112 1.470(15) .
C111 C113 1.51(2) .
C211 C213 1.448(12) 7_565
C211 C213 1.448(12) .
C211 C212 1.45(2) .
C411 C414 1.407(15) .
C411 C412 1.468(16) .
C411 C413 1.509(15) .
C421 C422 1.516(4) 7_565
C421 C422 1.516(4) .
C421 C42' 1.519(4) 7_565
C421 C423 1.538(5) .
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
N11 Mn1 Mn2 N21 0.000(1) . .
N2 Mn1 Mn2 N21 180.000(1) . .
N1 Mn1 Mn2 N21 -85.7(2) . .
N1 Mn1 Mn2 N21 85.7(2) 7_565 .
Mn3 Mn1 Mn2 N21 144.89(4) 7_565 .
Mn3 Mn1 Mn2 N21 -144.89(4) . .
N11 Mn1 Mn2 N3 180.0 . .
N2 Mn1 Mn2 N3 0.0 . .
N1 Mn1 Mn2 N3 94.3(2) . .
N1 Mn1 Mn2 N3 -94.3(2) 7_565 .
Mn3 Mn1 Mn2 N3 -35.11(4) 7_565 .
Mn3 Mn1 Mn2 N3 35.11(4) . .
N11 Mn1 Mn2 N1 -85.7(2) . 7_565
N2 Mn1 Mn2 N1 94.3(2) . 7_565
N1 Mn1 Mn2 N1 -171.5(5) . 7_565
Mn3 Mn1 Mn2 N1 59.1(2) 7_565 7_565
Mn3 Mn1 Mn2 N1 129.4(2) . 7_565
N11 Mn1 Mn2 N1 85.7(2) . .
N2 Mn1 Mn2 N1 -94.3(2) . .
N1 Mn1 Mn2 N1 171.5(5) 7_565 .
Mn3 Mn1 Mn2 N1 -129.4(2) 7_565 .
Mn3 Mn1 Mn2 N1 -59.1(2) . .
N11 Mn1 Mn2 Mn3 -144.89(4) . 7_565
N2 Mn1 Mn2 Mn3 35.11(4) . 7_565
N1 Mn1 Mn2 Mn3 129.4(2) . 7_565
N1 Mn1 Mn2 Mn3 -59.1(2) 7_565 7_565
Mn3 Mn1 Mn2 Mn3 70.21(8) . 7_565
N11 Mn1 Mn2 Mn3 144.89(4) . .
N2 Mn1 Mn2 Mn3 -35.11(4) . .
N1 Mn1 Mn2 Mn3 59.1(2) . .
N1 Mn1 Mn2 Mn3 -129.4(2) 7_565 .
Mn3 Mn1 Mn2 Mn3 -70.21(8) 7_565 .
N11 Mn1 Mn2 Li2 180.000(2) . .
N2 Mn1 Mn2 Li2 0.000(2) . .
N1 Mn1 Mn2 Li2 94.3(2) . .
N1 Mn1 Mn2 Li2 -94.3(2) 7_565 .
Mn3 Mn1 Mn2 Li2 -35.11(4) 7_565 .
Mn3 Mn1 Mn2 Li2 35.11(4) . .
N21 Mn2 Mn3 N31 -2.1(6) . .
N3 Mn2 Mn3 N31 79.5(5) . .
N1 Mn2 Mn3 N31 173.8(4) 7_565 .
N1 Mn2 Mn3 N31 -91.4(5) . .
Mn3 Mn2 Mn3 N31 138.5(4) 7_565 .
Mn1 Mn2 Mn3 N31 -150.4(4) . .
Li2 Mn2 Mn3 N31 46.7(5) . .
N21 Mn2 Mn3 N3 -81.6(5) . .
N1 Mn2 Mn3 N3 94.3(3) 7_565 .
N1 Mn2 Mn3 N3 -170.9(3) . .
Mn3 Mn2 Mn3 N3 59.0(2) 7_565 .
Mn1 Mn2 Mn3 N3 130.1(2) . .
Li2 Mn2 Mn3 N3 -32.8(3) . .
N21 Mn2 Mn3 N2 -176.4(5) . .
N3 Mn2 Mn3 N2 -94.8(3) . .
N1 Mn2 Mn3 N2 -0.5(3) 7_565 .
N1 Mn2 Mn3 N2 94.3(3) . .
Mn3 Mn2 Mn3 N2 -35.8(2) 7_565 .
Mn1 Mn2 Mn3 N2 35.3(2) . .
Li2 Mn2 Mn3 N2 -127.6(3) . .
N21 Mn2 Mn3 N1 89.3(5) . .
N3 Mn2 Mn3 N1 170.9(3) . .
N1 Mn2 Mn3 N1 -94.8(4) 7_565 .
Mn3 Mn2 Mn3 N1 -130.1(2) 7_565 .
Mn1 Mn2 Mn3 N1 -59.0(2) . .
Li2 Mn2 Mn3 N1 138.1(3) . .
N21 Mn2 Mn3 Mn3 -140.6(4) . 7_565
N3 Mn2 Mn3 Mn3 -59.0(2) . 7_565
N1 Mn2 Mn3 Mn3 35.35(17) 7_565 7_565
N1 Mn2 Mn3 Mn3 130.1(2) . 7_565
Mn1 Mn2 Mn3 Mn3 71.09(4) . 7_565
Li2 Mn2 Mn3 Mn3 -91.84(19) . 7_565
N21 Mn2 Mn3 Mn1 148.3(4) . .
N3 Mn2 Mn3 Mn1 -130.1(2) . .
N1 Mn2 Mn3 Mn1 -35.74(17) 7_565 .
N1 Mn2 Mn3 Mn1 59.0(2) . .
Mn3 Mn2 Mn3 Mn1 -71.09(4) 7_565 .
Li2 Mn2 Mn3 Mn1 -162.93(19) . .
N21 Mn2 Mn3 Li3 -48.4(5) . .
N3 Mn2 Mn3 Li3 33.2(4) . .
N1 Mn2 Mn3 Li3 127.5(3) 7_565 .
N1 Mn2 Mn3 Li3 -137.7(4) . .
Mn3 Mn2 Mn3 Li3 92.1(3) 7_565 .
Mn1 Mn2 Mn3 Li3 163.2(3) . .
Li2 Mn2 Mn3 Li3 0.3(3) . .
N11 Mn1 Mn3 N31 0.7(7) . .
N2 Mn1 Mn3 N31 -85.1(5) . .
N1 Mn1 Mn3 N31 86.5(5) . .
N1 Mn1 Mn3 N31 -178.8(5) 7_565 .
Mn2 Mn1 Mn3 N31 145.9(5) . .
Mn3 Mn1 Mn3 N31 -143.9(4) 7_565 .
N11 Mn1 Mn3 N3 -179.8(5) . .
N2 Mn1 Mn3 N3 94.4(3) . .
N1 Mn1 Mn3 N3 -94.1(3) . .
N1 Mn1 Mn3 N3 0.6(3) 7_565 .
Mn2 Mn1 Mn3 N3 -34.7(2) . .
Mn3 Mn1 Mn3 N3 35.6(2) 7_565 .
N11 Mn1 Mn3 N2 85.8(6) . .
N1 Mn1 Mn3 N2 171.5(3) . .
N1 Mn1 Mn3 N2 -93.8(3) 7_565 .
Mn2 Mn1 Mn3 N2 -129.0(2) . .
Mn3 Mn1 Mn3 N2 -58.8(2) 7_565 .
N11 Mn1 Mn3 N1 -85.7(5) . .
N2 Mn1 Mn3 N1 -171.5(3) . .
N1 Mn1 Mn3 N1 94.7(4) 7_565 .
Mn2 Mn1 Mn3 N1 59.4(2) . .
Mn3 Mn1 Mn3 N1 129.7(2) 7_565 .
N11 Mn1 Mn3 Mn2 -145.2(5) . .
N2 Mn1 Mn3 Mn2 129.0(2) . .
N1 Mn1 Mn3 Mn2 -59.4(2) . .
N1 Mn1 Mn3 Mn2 35.26(17) 7_565 .
Mn3 Mn1 Mn3 Mn2 70.24(4) 7_565 .
N11 Mn1 Mn3 Mn3 144.6(5) . 7_565
N2 Mn1 Mn3 Mn3 58.8(2) . 7_565
N1 Mn1 Mn3 Mn3 -129.7(2) . 7_565
N1 Mn1 Mn3 Mn3 -34.98(17) 7_565 7_565
Mn2 Mn1 Mn3 Mn3 -70.24(4) . 7_565
N11 Mn1 Mn3 Li3 -178.7(7) . .
N2 Mn1 Mn3 Li3 95.5(6) . .
N1 Mn1 Mn3 Li3 -93.0(6) . .
N1 Mn1 Mn3 Li3 1.7(6) 7_565 .
Mn2 Mn1 Mn3 Li3 -33.5(6) . .
Mn3 Mn1 Mn3 Li3 36.7(6) 7_565 .
N21 Mn2 N1 C11 2.7(7) . .
N3 Mn2 N1 C11 131.1(6) . .
N1 Mn2 N1 C11 -131.0(5) 7_565 .
Mn3 Mn2 N1 C11 179.8(6) 7_565 .
Mn3 Mn2 N1 C11 137.9(7) . .
Mn1 Mn2 N1 C11 -137.5(7) . .
Li2 Mn2 N1 C11 81.8(7) . .
N21 Mn2 N1 Mn3 -135.3(3) . .
N3 Mn2 N1 Mn3 -6.8(3) . .
N1 Mn2 N1 Mn3 91.0(2) 7_565 .
Mn3 Mn2 N1 Mn3 41.86(17) 7_565 .
Mn1 Mn2 N1 Mn3 84.6(2) . .
Li2 Mn2 N1 Mn3 -56.2(5) . .
N21 Mn2 N1 Mn1 140.2(3) . .
N3 Mn2 N1 Mn1 -91.4(2) . .
N1 Mn2 N1 Mn1 6.4(3) 7_565 .
Mn3 Mn2 N1 Mn1 -42.71(17) 7_565 .
Mn3 Mn2 N1 Mn1 -84.6(2) . .
Li2 Mn2 N1 Mn1 -140.8(5) . .
N31 Mn3 N1 C11 -3.2(7) . .
N3 Mn3 N1 C11 -131.2(6) . .
N2 Mn3 N1 C11 131.9(6) . .
Mn2 Mn3 N1 C11 -138.0(7) . .
Mn3 Mn3 N1 C11 -179.6(6) 7_565 .
Mn1 Mn3 N1 C11 138.2(7) . .
Li3 Mn3 N1 C11 -81.9(7) . .
N31 Mn3 N1 Mn2 134.8(3) . .
N3 Mn3 N1 Mn2 6.8(2) . .
N2 Mn3 N1 Mn2 -90.1(2) . .
Mn3 Mn3 N1 Mn2 -41.59(16) 7_565 .
Mn1 Mn3 N1 Mn2 -83.8(2) . .
Li3 Mn3 N1 Mn2 56.1(4) . .
N31 Mn3 N1 Mn1 -141.4(3) . .
N3 Mn3 N1 Mn1 90.6(2) . .
N2 Mn3 N1 Mn1 -6.3(2) . .
Mn2 Mn3 N1 Mn1 83.8(2) . .
Mn3 Mn3 N1 Mn1 42.19(16) 7_565 .
Li3 Mn3 N1 Mn1 139.9(4) . .
N11 Mn1 N1 C11 -0.5(7) . .
N2 Mn1 N1 C11 -132.4(6) . .
N1 Mn1 N1 C11 131.7(5) 7_565 .
Mn2 Mn1 N1 C11 138.0(7) . .
Mn3 Mn1 N1 C11 179.8(6) 7_565 .
Mn3 Mn1 N1 C11 -138.7(7) . .
N11 Mn1 N1 Mn2 -138.5(4) . .
N2 Mn1 N1 Mn2 89.6(2) . .
N1 Mn1 N1 Mn2 -6.4(3) 7_565 .
Mn3 Mn1 N1 Mn2 41.76(17) 7_565 .
Mn3 Mn1 N1 Mn2 83.3(2) . .
N11 Mn1 N1 Mn3 138.2(4) . .
N2 Mn1 N1 Mn3 6.3(2) . .
N1 Mn1 N1 Mn3 -89.7(2) 7_565 .
Mn2 Mn1 N1 Mn3 -83.3(2) . .
Mn3 Mn1 N1 Mn3 -41.53(16) 7_565 .
N31 Mn3 N2 C21 4.0(9) . .
N3 Mn3 N2 C21 132.0(8) . .
N1 Mn3 N2 C21 -131.3(8) . .
Mn2 Mn3 N2 C21 180.0(7) . .
Mn3 Mn3 N2 C21 137.3(9) 7_565 .
Mn1 Mn3 N2 C21 -137.7(8) . .
Li3 Mn3 N2 C21 83.2(8) . .
N31 Mn3 N2 Mn3 -133.3(3) . 7_565
N3 Mn3 N2 Mn3 -5.3(4) . 7_565
N1 Mn3 N2 Mn3 91.3(3) . 7_565
Mn2 Mn3 N2 Mn3 42.7(2) . 7_565
Mn1 Mn3 N2 Mn3 85.0(3) . 7_565
Li3 Mn3 N2 Mn3 -54.1(5) . 7_565
N31 Mn3 N2 Mn1 141.7(3) . .
N3 Mn3 N2 Mn1 -90.3(3) . .
N1 Mn3 N2 Mn1 6.3(2) . .
Mn2 Mn3 N2 Mn1 -42.33(16) . .
Mn3 Mn3 N2 Mn1 -85.0(3) 7_565 .
Li3 Mn3 N2 Mn1 -139.1(4) . .
N11 Mn1 N2 C21 0.0 . .
N1 Mn1 N2 C21 131.73(17) . .
N1 Mn1 N2 C21 -131.73(17) 7_565 .
Mn2 Mn1 N2 C21 180.0 . .
Mn3 Mn1 N2 C21 -138.04(15) 7_565 .
Mn3 Mn1 N2 C21 138.04(15) . .
N11 Mn1 N2 Mn3 138.04(15) . 7_565
N1 Mn1 N2 Mn3 -90.2(2) . 7_565
N1 Mn1 N2 Mn3 6.3(2) 7_565 7_565
Mn2 Mn1 N2 Mn3 -41.96(15) . 7_565
Mn3 Mn1 N2 Mn3 -83.9(3) . 7_565
N11 Mn1 N2 Mn3 -138.04(15) . .
N1 Mn1 N2 Mn3 -6.3(2) . .
N1 Mn1 N2 Mn3 90.2(2) 7_565 .
Mn2 Mn1 N2 Mn3 41.96(15) . .
Mn3 Mn1 N2 Mn3 83.9(3) 7_565 .
N21 Mn2 N3 Mn3 137.83(15) . .
N1 Mn2 N3 Mn3 -91.2(2) 7_565 .
N1 Mn2 N3 Mn3 6.9(2) . .
Mn3 Mn2 N3 Mn3 -84.3(3) 7_565 .
Mn1 Mn2 N3 Mn3 -42.17(15) . .
Li2 Mn2 N3 Mn3 137.83(15) . .
N21 Mn2 N3 Mn3 -137.83(15) . 7_565
N1 Mn2 N3 Mn3 -6.9(2) 7_565 7_565
N1 Mn2 N3 Mn3 91.2(2) . 7_565
Mn3 Mn2 N3 Mn3 84.3(3) . 7_565
Mn1 Mn2 N3 Mn3 42.17(15) . 7_565
Li2 Mn2 N3 Mn3 -137.83(15) . 7_565
N21 Mn2 N3 Li2 0.0 . .
N1 Mn2 N3 Li2 130.94(18) 7_565 .
N1 Mn2 N3 Li2 -130.94(18) . .
Mn3 Mn2 N3 Li2 137.83(15) 7_565 .
Mn3 Mn2 N3 Li2 -137.83(15) . .
Mn1 Mn2 N3 Li2 180.000(1) . .
N21 Mn2 N3 Li3 -66.2(7) . 7_565
N1 Mn2 N3 Li3 64.8(8) 7_565 7_565
N1 Mn2 N3 Li3 162.9(7) . 7_565
Mn3 Mn2 N3 Li3 71.6(6) 7_565 7_565
Mn3 Mn2 N3 Li3 156.0(8) . 7_565
Mn1 Mn2 N3 Li3 113.8(7) . 7_565
Li2 Mn2 N3 Li3 -66.2(7) . 7_565
N21 Mn2 N3 Li3 66.2(7) . .
N1 Mn2 N3 Li3 -162.9(7) 7_565 .
N1 Mn2 N3 Li3 -64.8(8) . .
Mn3 Mn2 N3 Li3 -156.0(8) 7_565 .
Mn3 Mn2 N3 Li3 -71.6(6) . .
Mn1 Mn2 N3 Li3 -113.8(7) . .
Li2 Mn2 N3 Li3 66.2(7) . .
N31 Mn3 N3 Mn2 -138.7(3) . .
N2 Mn3 N3 Mn2 89.7(3) . .
N1 Mn3 N3 Mn2 -6.8(2) . .
Mn3 Mn3 N3 Mn2 84.4(3) 7_565 .
Mn1 Mn3 N3 Mn2 41.59(17) . .
Li3 Mn3 N3 Mn2 -137.7(5) . .
N31 Mn3 N3 Mn3 136.9(3) . 7_565
N2 Mn3 N3 Mn3 5.3(4) . 7_565
N1 Mn3 N3 Mn3 -91.2(3) . 7_565
Mn2 Mn3 N3 Mn3 -84.4(3) . 7_565
Mn1 Mn3 N3 Mn3 -42.8(2) . 7_565
Li3 Mn3 N3 Mn3 137.9(5) . 7_565
N31 Mn3 N3 Li2 -66.6(9) . .
N2 Mn3 N3 Li2 161.8(9) . .
N1 Mn3 N3 Li2 65.2(9) . .
Mn2 Mn3 N3 Li2 72.1(8) . .
Mn3 Mn3 N3 Li2 156.5(10) 7_565 .
Mn1 Mn3 N3 Li2 113.7(8) . .
Li3 Mn3 N3 Li2 -65.6(9) . .
N31 Mn3 N3 Li3 65.4(7) . 7_565
N2 Mn3 N3 Li3 -66.2(7) . 7_565
N1 Mn3 N3 Li3 -162.7(6) . 7_565
Mn2 Mn3 N3 Li3 -155.9(7) . 7_565
Mn3 Mn3 N3 Li3 -71.5(6) 7_565 7_565
Mn1 Mn3 N3 Li3 -114.3(6) . 7_565
Li3 Mn3 N3 Li3 66.4(8) . 7_565
N31 Mn3 N3 Li3 -1.0(5) . .
N2 Mn3 N3 Li3 -132.6(5) . .
N1 Mn3 N3 Li3 130.8(4) . .
Mn2 Mn3 N3 Li3 137.7(5) . .
Mn3 Mn3 N3 Li3 -137.9(5) 7_565 .
Mn1 Mn3 N3 Li3 179.3(4) . .
N2 Mn1 N11 C111 180(100) . .
N1 Mn1 N11 C111 60(100) . .
N1 Mn1 N11 C111 -60(100) 7_565 .
Mn2 Mn1 N11 C111 0(100) . .
Mn3 Mn1 N11 C111 -120(100) 7_565 .
Mn3 Mn1 N11 C111 120(100) . .
N3 Mn2 N21 C211 180.000(9) . .
N1 Mn2 N21 C211 61.4(3) 7_565 .
N1 Mn2 N21 C211 -61.4(3) . .
Mn3 Mn2 N21 C211 123.3(3) 7_565 .
Mn3 Mn2 N21 C211 -123.3(3) . .
Mn1 Mn2 N21 C211 0.000(9) . .
Li2 Mn2 N21 C211 180.000(9) . .
N3 Mn2 N21 Li2 0.0 . .
N1 Mn2 N21 Li2 -118.6(3) 7_565 .
N1 Mn2 N21 Li2 118.6(3) . .
Mn3 Mn2 N21 Li2 -56.7(3) 7_565 .
Mn3 Mn2 N21 Li2 56.7(3) . .
Mn1 Mn2 N21 Li2 180.000(2) . .
N3 Mn3 N31 C31 180(100) . .
N2 Mn3 N31 C31 -62(4) . .
N1 Mn3 N31 C31 62(4) . .
Mn2 Mn3 N31 C31 125(4) . .
Mn3 Mn3 N31 C31 -124(4) 7_565 .
Mn1 Mn3 N31 C31 -1(4) . .
Li3 Mn3 N31 C31 179(100) . .
N3 Mn3 N31 Li3 0.9(5) . .
N2 Mn3 N31 Li3 119.1(4) . .
N1 Mn3 N31 Li3 -117.2(4) . .
Mn2 Mn3 N31 Li3 -54.1(5) . .
Mn3 Mn3 N31 Li3 56.9(5) 7_565 .
Mn1 Mn3 N31 Li3 -179.7(4) . .
N51 Mn4 N41 C411 0.2(10) . .
N42 Mn4 N41 C411 124.8(6) . .
N41 Mn4 N41 C411 -126.6(5) 7_565 .
Li3 Mn4 N41 C411 134.1(8) . .
Li3 Mn4 N41 C411 -179.7(6) 7_565 .
Li2 Mn4 N41 C411 -136.3(9) . .
N51 Mn4 N41 Li3 -133.9(9) . .
N42 Mn4 N41 Li3 -9.3(5) . .
N41 Mn4 N41 Li3 99.3(5) 7_565 .
Li3 Mn4 N41 Li3 46.2(5) 7_565 .
Li2 Mn4 N41 Li3 89.7(7) . .
N51 Mn4 N41 Li2 136.4(9) . .
N42 Mn4 N41 Li2 -99.0(6) . .
N41 Mn4 N41 Li2 9.6(7) 7_565 .
Li3 Mn4 N41 Li2 -89.7(7) . .
Li3 Mn4 N41 Li2 -43.5(6) 7_565 .
N51 Mn4 N42 C421 0.000(1) . .
N41 Mn4 N42 C421 126.3(2) 7_565 .
N41 Mn4 N42 C421 -126.3(2) . .
Li3 Mn4 N42 C421 -135.3(4) . .
Li3 Mn4 N42 C421 135.3(4) 7_565 .
Li2 Mn4 N42 C421 180.0 . .
N51 Mn4 N42 Li3 135.3(4) . .
N41 Mn4 N42 Li3 -98.4(4) 7_565 .
N41 Mn4 N42 Li3 9.1(5) . .
Li3 Mn4 N42 Li3 -89.3(8) 7_565 .
Li2 Mn4 N42 Li3 -44.7(4) . .
N51 Mn4 N42 Li3 -135.3(4) . 7_565
N41 Mn4 N42 Li3 -9.0(5) 7_565 7_565
N41 Mn4 N42 Li3 98.4(4) . 7_565
Li3 Mn4 N42 Li3 89.3(8) . 7_565
Li2 Mn4 N42 Li3 44.7(4) . 7_565
C411 N41 Li2 N41 108.7(10) . 7_565
Mn4 N41 Li2 N41 -9.1(6) . 7_565
Li3 N41 Li2 N41 -88.0(8) . 7_565
C411 N41 Li2 N3 -154.6(9) . .
Mn4 N41 Li2 N3 87.6(5) . .
Li3 N41 Li2 N3 8.7(6) . .
C411 N41 Li2 N21 -70.2(16) . .
Mn4 N41 Li2 N21 172.1(11) . .
Li3 N41 Li2 N21 93.2(11) . .
C411 N41 Li2 Mn4 117.7(10) . .
Li3 N41 Li2 Mn4 -78.9(5) . .
C411 N41 Li2 Mn2 -116.5(11) . .
Mn4 N41 Li2 Mn2 125.7(7) . .
Li3 N41 Li2 Mn2 46.8(8) . .
C411 N41 Li2 Li3 154.4(9) . 7_565
Mn4 N41 Li2 Li3 36.6(4) . 7_565
Li3 N41 Li2 Li3 -42.3(6) . 7_565
C411 N41 Li2 Li3 -163.3(12) . .
Mn4 N41 Li2 Li3 78.9(5) . .
Mn2 N3 Li2 N41 -131.2(5) . 7_565
Mn3 N3 Li2 N41 156.1(6) . 7_565
Mn3 N3 Li2 N41 -58.5(11) 7_565 7_565
Li3 N3 Li2 N41 8.0(6) 7_565 7_565
Li3 N3 Li2 N41 89.6(6) . 7_565
Mn2 N3 Li2 N41 131.2(5) . .
Mn3 N3 Li2 N41 58.5(11) . .
Mn3 N3 Li2 N41 -156.1(6) 7_565 .
Li3 N3 Li2 N41 -89.6(6) 7_565 .
Li3 N3 Li2 N41 -8.0(6) . .
Mn2 N3 Li2 N21 0.0 . .
Mn3 N3 Li2 N21 -72.7(7) . .
Mn3 N3 Li2 N21 72.7(7) 7_565 .
Li3 N3 Li2 N21 139.2(4) 7_565 .
Li3 N3 Li2 N21 -139.2(4) . .
Mn2 N3 Li2 Mn4 180.0 . .
Mn3 N3 Li2 Mn4 107.3(7) . .
Mn3 N3 Li2 Mn4 -107.3(7) 7_565 .
Li3 N3 Li2 Mn4 -40.8(4) 7_565 .
Li3 N3 Li2 Mn4 40.8(4) . .
Mn3 N3 Li2 Mn2 -72.7(7) . .
Mn3 N3 Li2 Mn2 72.7(7) 7_565 .
Li3 N3 Li2 Mn2 139.2(4) 7_565 .
Li3 N3 Li2 Mn2 -139.2(4) . .
Mn2 N3 Li2 Li3 -139.2(4) . 7_565
Mn3 N3 Li2 Li3 148.1(9) . 7_565
Mn3 N3 Li2 Li3 -66.5(8) 7_565 7_565
Li3 N3 Li2 Li3 81.6(7) . 7_565
Mn2 N3 Li2 Li3 139.2(4) . .
Mn3 N3 Li2 Li3 66.5(8) . .
Mn3 N3 Li2 Li3 -148.1(9) 7_565 .
Li3 N3 Li2 Li3 -81.6(7) 7_565 .
C211 N21 Li2 N41 -89.2(11) . 7_565
Mn2 N21 Li2 N41 90.8(11) . 7_565
C211 N21 Li2 N41 89.2(11) . .
Mn2 N21 Li2 N41 -90.8(11) . .
C211 N21 Li2 N3 180.000(1) . .
Mn2 N21 Li2 N3 0.0 . .
C211 N21 Li2 Mn4 180.000(9) . .
Mn2 N21 Li2 Mn4 0.000(10) . .
C211 N21 Li2 Mn2 180.000(2) . .
C211 N21 Li2 Li3 -144.4(5) . 7_565
Mn2 N21 Li2 Li3 35.6(5) . 7_565
C211 N21 Li2 Li3 144.4(5) . .
Mn2 N21 Li2 Li3 -35.6(5) . .
N51 Mn4 Li2 N41 84.0(4) . 7_565
N42 Mn4 Li2 N41 -96.0(4) . 7_565
N41 Mn4 Li2 N41 168.0(8) . 7_565
Li3 Mn4 Li2 N41 -133.9(6) . 7_565
Li3 Mn4 Li2 N41 -58.2(5) 7_565 7_565
N51 Mn4 Li2 N41 -84.0(4) . .
N42 Mn4 Li2 N41 96.0(4) . .
N41 Mn4 Li2 N41 -168.0(8) 7_565 .
Li3 Mn4 Li2 N41 58.2(5) . .
Li3 Mn4 Li2 N41 133.9(6) 7_565 .
N51 Mn4 Li2 N3 180.0 . .
N42 Mn4 Li2 N3 0.0 . .
N41 Mn4 Li2 N3 96.0(4) 7_565 .
N41 Mn4 Li2 N3 -96.0(4) . .
Li3 Mn4 Li2 N3 -37.8(3) . .
Li3 Mn4 Li2 N3 37.8(3) 7_565 .
N51 Mn4 Li2 N21 180.000(9) . .
N42 Mn4 Li2 N21 0.000(11) . .
N41 Mn4 Li2 N21 96.0(4) 7_565 .
N41 Mn4 Li2 N21 -96.0(4) . .
Li3 Mn4 Li2 N21 -37.8(3) . .
Li3 Mn4 Li2 N21 37.8(3) 7_565 .
N51 Mn4 Li2 Mn2 180.0 . .
N42 Mn4 Li2 Mn2 0.000(2) . .
N41 Mn4 Li2 Mn2 96.0(4) 7_565 .
N41 Mn4 Li2 Mn2 -96.0(4) . .
Li3 Mn4 Li2 Mn2 -37.8(3) . .
Li3 Mn4 Li2 Mn2 37.8(3) 7_565 .
N51 Mn4 Li2 Li3 142.2(3) . 7_565
N42 Mn4 Li2 Li3 -37.8(3) . 7_565
N41 Mn4 Li2 Li3 58.2(5) 7_565 7_565
N41 Mn4 Li2 Li3 -133.9(6) . 7_565
Li3 Mn4 Li2 Li3 -75.7(7) . 7_565
N51 Mn4 Li2 Li3 -142.2(3) . .
N42 Mn4 Li2 Li3 37.8(3) . .
N41 Mn4 Li2 Li3 133.9(6) 7_565 .
N41 Mn4 Li2 Li3 -58.2(5) . .
Li3 Mn4 Li2 Li3 75.7(7) 7_565 .
N21 Mn2 Li2 N41 -118.1(8) . 7_565
N3 Mn2 Li2 N41 61.9(8) . 7_565
N1 Mn2 Li2 N41 -7.1(10) 7_565 7_565
N1 Mn2 Li2 N41 130.9(6) . 7_565
Mn3 Mn2 Li2 N41 31.7(8) 7_565 7_565
Mn3 Mn2 Li2 N41 92.1(7) . 7_565
Mn1 Mn2 Li2 N41 61.9(8) . 7_565
N21 Mn2 Li2 N41 118.1(8) . .
N3 Mn2 Li2 N41 -61.9(8) . .
N1 Mn2 Li2 N41 -130.9(6) 7_565 .
N1 Mn2 Li2 N41 7.1(10) . .
Mn3 Mn2 Li2 N41 -92.1(7) 7_565 .
Mn3 Mn2 Li2 N41 -31.7(8) . .
Mn1 Mn2 Li2 N41 -61.9(8) . .
N21 Mn2 Li2 N3 180.0 . .
N1 Mn2 Li2 N3 -69.0(3) 7_565 .
N1 Mn2 Li2 N3 69.0(3) . .
Mn3 Mn2 Li2 N3 -30.20(4) 7_565 .
Mn3 Mn2 Li2 N3 30.20(4) . .
Mn1 Mn2 Li2 N3 0.000(1) . .
N3 Mn2 Li2 N21 180.000(1) . .
N1 Mn2 Li2 N21 111.0(3) 7_565 .
N1 Mn2 Li2 N21 -111.0(3) . .
Mn3 Mn2 Li2 N21 149.80(4) 7_565 .
Mn3 Mn2 Li2 N21 -149.80(4) . .
Mn1 Mn2 Li2 N21 180.000(3) . .
N21 Mn2 Li2 Mn4 180.000(1) . .
N3 Mn2 Li2 Mn4 0.0 . .
N1 Mn2 Li2 Mn4 -69.0(3) 7_565 .
N1 Mn2 Li2 Mn4 69.0(3) . .
Mn3 Mn2 Li2 Mn4 -30.20(4) 7_565 .
Mn3 Mn2 Li2 Mn4 30.20(4) . .
Mn1 Mn2 Li2 Mn4 0.000(3) . .
N21 Mn2 Li2 Li3 -149.5(3) . 7_565
N3 Mn2 Li2 Li3 30.5(3) . 7_565
N1 Mn2 Li2 Li3 -38.5(5) 7_565 7_565
N1 Mn2 Li2 Li3 99.5(4) . 7_565
Mn3 Mn2 Li2 Li3 0.3(3) 7_565 7_565
Mn3 Mn2 Li2 Li3 60.7(3) . 7_565
Mn1 Mn2 Li2 Li3 30.5(3) . 7_565
N21 Mn2 Li2 Li3 149.5(3) . .
N3 Mn2 Li2 Li3 -30.5(3) . .
N1 Mn2 Li2 Li3 -99.5(4) 7_565 .
N1 Mn2 Li2 Li3 38.5(6) . .
Mn3 Mn2 Li2 Li3 -60.7(3) 7_565 .
Mn3 Mn2 Li2 Li3 -0.3(3) . .
Mn1 Mn2 Li2 Li3 -30.5(3) . .
C411 N41 Li3 N42 -108.0(10) . .
Mn4 N41 Li3 N42 8.5(4) . .
Li2 N41 Li3 N42 88.2(6) . .
C411 N41 Li3 N3 155.2(9) . .
Mn4 N41 Li3 N3 -88.3(5) . .
Li2 N41 Li3 N3 -8.6(6) . .
C411 N41 Li3 N31 71.2(14) . .
Mn4 N41 Li3 N31 -172.3(9) . .
Li2 N41 Li3 N31 -92.6(9) . .
C411 N41 Li3 Mn4 -116.5(10) . .
Li2 N41 Li3 Mn4 79.7(5) . .
C411 N41 Li3 Mn3 117.4(10) . .
Mn4 N41 Li3 Mn3 -126.1(7) . .
Li2 N41 Li3 Mn3 -46.5(8) . .
C411 N41 Li3 Li2 163.8(12) . .
Mn4 N41 Li3 Li2 -79.7(5) . .
C411 N41 Li3 Li3 -154.6(9) . 7_565
Mn4 N41 Li3 Li3 -38.1(2) . 7_565
Li2 N41 Li3 Li3 41.6(4) . 7_565
C421 N42 Li3 N41 115.2(10) . .
Mn4 N42 Li3 N41 -8.6(5) . .
Li3 N42 Li3 N41 -86.6(7) 7_565 .
C421 N42 Li3 N3 -148.0(9) . .
Mn4 N42 Li3 N3 88.2(5) . .
Li3 N42 Li3 N3 10.2(8) 7_565 .
C421 N42 Li3 N31 -64.0(13) . .
Mn4 N42 Li3 N31 172.1(8) . .
Li3 N42 Li3 N31 94.1(9) 7_565 .
C421 N42 Li3 Mn4 123.9(10) . .
Li3 N42 Li3 Mn4 -78.0(4) 7_565 .
C421 N42 Li3 Mn3 -109.4(10) . .
Mn4 N42 Li3 Mn3 126.7(7) . .
Li3 N42 Li3 Mn3 48.7(9) 7_565 .
C421 N42 Li3 Li2 162.1(9) . .
Mn4 N42 Li3 Li2 38.2(4) . .
Li3 N42 Li3 Li2 -39.7(7) 7_565 .
C421 N42 Li3 Li3 -158.1(13) . 7_565
Mn4 N42 Li3 Li3 78.0(4) . 7_565
Mn2 N3 Li3 N41 -59.1(9) . .
Mn3 N3 Li3 N41 -131.5(5) . .
Mn3 N3 Li3 N41 156.3(5) 7_565 .
Li2 N3 Li3 N41 8.2(5) . .
Li3 N3 Li3 N41 89.2(6) 7_565 .
Mn2 N3 Li3 N42 -157.9(6) . .
Mn3 N3 Li3 N42 129.7(6) . .
Mn3 N3 Li3 N42 57.5(8) 7_565 .
Li2 N3 Li3 N42 -90.6(6) . .
Li3 N3 Li3 N42 -9.7(8) 7_565 .
Mn2 N3 Li3 N31 73.0(7) . .
Mn3 N3 Li3 N31 0.6(3) . .
Mn3 N3 Li3 N31 -71.6(7) 7_565 .
Li2 N3 Li3 N31 140.3(5) . .
Li3 N3 Li3 N31 -138.7(3) 7_565 .
Mn2 N3 Li3 Mn4 -108.9(6) . .
Mn3 N3 Li3 Mn4 178.7(4) . .
Mn3 N3 Li3 Mn4 106.4(6) 7_565 .
Li2 N3 Li3 Mn4 -41.7(4) . .
Li3 N3 Li3 Mn4 39.3(6) 7_565 .
Mn2 N3 Li3 Mn3 72.4(6) . .
Mn3 N3 Li3 Mn3 -72.2(6) 7_565 .
Li2 N3 Li3 Mn3 139.6(4) . .
Li3 N3 Li3 Mn3 -139.4(4) 7_565 .
Mn2 N3 Li3 Li2 -67.2(7) . .
Mn3 N3 Li3 Li2 -139.6(4) . .
Mn3 N3 Li3 Li2 148.1(7) 7_565 .
Li3 N3 Li3 Li2 81.0(5) 7_565 .
Mn2 N3 Li3 Li3 -148.2(9) . 7_565
Mn3 N3 Li3 Li3 139.4(4) . 7_565
Mn3 N3 Li3 Li3 67.1(5) 7_565 7_565
Li2 N3 Li3 Li3 -81.0(5) . 7_565
C31 N31 Li3 N41 -90.2(10) . .
Mn3 N31 Li3 N41 89.6(9) . .
C31 N31 Li3 N42 88.7(10) . .
Mn3 N31 Li3 N42 -91.4(8) . .
C31 N31 Li3 N3 179.4(6) . .
Mn3 N31 Li3 N3 -0.7(4) . .
C31 N31 Li3 Mn4 161(6) . .
Mn3 N31 Li3 Mn4 -19(6) . .
C31 N31 Li3 Mn3 -179.8(7) . .
C31 N31 Li3 Li2 -146.6(7) . .
Mn3 N31 Li3 Li2 33.2(6) . .
C31 N31 Li3 Li3 144.4(5) . 7_565
Mn3 N31 Li3 Li3 -35.8(3) . 7_565
N51 Mn4 Li3 N41 85.5(12) . .
N42 Mn4 Li3 N41 168.8(6) . .
N41 Mn4 Li3 N41 -94.4(5) 7_565 .
Li3 Mn4 Li3 N41 -131.7(3) 7_565 .
Li2 Mn4 Li3 N41 -58.5(4) . .
N51 Mn4 Li3 N42 -83.3(12) . .
N41 Mn4 Li3 N42 96.8(4) 7_565 .
N41 Mn4 Li3 N42 -168.8(6) . .
Li3 Mn4 Li3 N42 59.6(4) 7_565 .
Li2 Mn4 Li3 N42 132.8(5) . .
N51 Mn4 Li3 N3 -178.9(11) . .
N42 Mn4 Li3 N3 -95.6(5) . .
N41 Mn4 Li3 N3 1.2(5) 7_565 .
N41 Mn4 Li3 N3 95.6(6) . .
Li3 Mn4 Li3 N3 -36.0(6) 7_565 .
Li2 Mn4 Li3 N3 37.1(4) . .
N51 Mn4 Li3 N31 -161(6) . .
N42 Mn4 Li3 N31 -77(6) . .
N41 Mn4 Li3 N31 19(6) 7_565 .
N41 Mn4 Li3 N31 114(6) . .
Li3 Mn4 Li3 N31 -18(6) 7_565 .
Li2 Mn4 Li3 N31 55(6) . .
N51 Mn4 Li3 Mn3 -177.6(11) . .
N42 Mn4 Li3 Mn3 -94.3(8) . .
N41 Mn4 Li3 Mn3 2.6(9) 7_565 .
N41 Mn4 Li3 Mn3 97.0(9) . .
Li3 Mn4 Li3 Mn3 -34.7(9) 7_565 .
Li2 Mn4 Li3 Mn3 38.5(7) . .
N51 Mn4 Li3 Li2 144.0(11) . .
N42 Mn4 Li3 Li2 -132.8(5) . .
N41 Mn4 Li3 Li2 -35.9(4) 7_565 .
N41 Mn4 Li3 Li2 58.5(4) . .
Li3 Mn4 Li3 Li2 -73.2(4) 7_565 .
N51 Mn4 Li3 Li3 -142.9(12) . 7_565
N42 Mn4 Li3 Li3 -59.6(4) . 7_565
N41 Mn4 Li3 Li3 37.3(3) 7_565 7_565
N41 Mn4 Li3 Li3 131.7(3) . 7_565
Li2 Mn4 Li3 Li3 73.2(4) . 7_565
N31 Mn3 Li3 N41 -119.4(8) . .
N3 Mn3 Li3 N41 61.6(7) . .
N2 Mn3 Li3 N41 128.9(6) . .
N1 Mn3 Li3 N41 -6.9(9) . .
Mn2 Mn3 Li3 N41 31.6(7) . .
Mn3 Mn3 Li3 N41 91.6(7) 7_565 .
Mn1 Mn3 Li3 N41 60.2(10) . .
N31 Mn3 Li3 N42 115.8(8) . .
N3 Mn3 Li3 N42 -63.2(7) . .
N2 Mn3 Li3 N42 4.1(9) . .
N1 Mn3 Li3 N42 -131.7(6) . .
Mn2 Mn3 Li3 N42 -93.1(7) . .
Mn3 Mn3 Li3 N42 -33.2(7) 7_565 .
Mn1 Mn3 Li3 N42 -64.5(10) . .
N31 Mn3 Li3 N3 179.0(5) . .
N2 Mn3 Li3 N3 67.3(5) . .
N1 Mn3 Li3 N3 -68.5(5) . .
Mn2 Mn3 Li3 N3 -30.0(3) . .
Mn3 Mn3 Li3 N3 30.0(3) 7_565 .
Mn1 Mn3 Li3 N3 -1.4(7) . .
N3 Mn3 Li3 N31 -179.0(5) . .
N2 Mn3 Li3 N31 -111.7(4) . .
N1 Mn3 Li3 N31 112.5(4) . .
Mn2 Mn3 Li3 N31 151.1(3) . .
Mn3 Mn3 Li3 N31 -149.0(3) 7_565 .
Mn1 Mn3 Li3 N31 179.7(4) . .
N31 Mn3 Li3 Mn4 177.0(9) . .
N3 Mn3 Li3 Mn4 -1.9(6) . .
N2 Mn3 Li3 Mn4 65.4(9) . .
N1 Mn3 Li3 Mn4 -70.4(9) . .
Mn2 Mn3 Li3 Mn4 -31.9(8) . .
Mn3 Mn3 Li3 Mn4 28.1(8) 7_565 .
Mn1 Mn3 Li3 Mn4 -3.3(12) . .
N31 Mn3 Li3 Li2 -151.4(5) . .
N3 Mn3 Li3 Li2 29.7(3) . .
N2 Mn3 Li3 Li2 97.0(5) . .
N1 Mn3 Li3 Li2 -38.8(5) . .
Mn2 Mn3 Li3 Li2 -0.3(3) . .
Mn3 Mn3 Li3 Li2 59.7(3) 7_565 .
Mn1 Mn3 Li3 Li2 28.3(7) . .
N31 Mn3 Li3 Li3 149.0(3) . 7_565
N3 Mn3 Li3 Li3 -30.0(3) . 7_565
N2 Mn3 Li3 Li3 37.3(3) . 7_565
N1 Mn3 Li3 Li3 -98.5(3) . 7_565
Mn2 Mn3 Li3 Li3 -59.95(4) . 7_565
Mn3 Mn3 Li3 Li3 0.0 7_565 7_565
Mn1 Mn3 Li3 Li3 -31.4(5) . 7_565
N41 Li2 Li3 N41 96.4(9) 7_565 .
N3 Li2 Li3 N41 -168.8(8) . .
N21 Li2 Li3 N41 -120.7(6) . .
Mn4 Li2 Li3 N41 63.4(5) . .
Mn2 Li2 Li3 N41 -141.7(6) . .
Li3 Li2 Li3 N41 129.8(6) 7_565 .
N41 Li2 Li3 N42 -0.8(7) 7_565 .
N41 Li2 Li3 N42 -97.2(7) . .
N3 Li2 Li3 N42 94.1(6) . .
N21 Li2 Li3 N42 142.1(5) . .
Mn4 Li2 Li3 N42 -33.7(4) . .
Mn2 Li2 Li3 N42 121.1(5) . .
Li3 Li2 Li3 N42 32.6(6) 7_565 .
N41 Li2 Li3 N3 -94.8(5) 7_565 .
N41 Li2 Li3 N3 168.8(8) . .
N21 Li2 Li3 N3 48.0(6) . .
Mn4 Li2 Li3 N3 -127.8(5) . .
Mn2 Li2 Li3 N3 27.0(3) . .
Li3 Li2 Li3 N3 -61.4(4) 7_565 .
N41 Li2 Li3 N31 -141.2(7) 7_565 .
N41 Li2 Li3 N31 122.4(8) . .
N3 Li2 Li3 N31 -46.3(5) . .
N21 Li2 Li3 N31 1.7(9) . .
Mn4 Li2 Li3 N31 -174.1(7) . .
Mn2 Li2 Li3 N31 -19.3(6) . .
Li3 Li2 Li3 N31 -107.8(5) 7_565 .
N41 Li2 Li3 Mn4 33.0(5) 7_565 .
N41 Li2 Li3 Mn4 -63.4(5) . .
N3 Li2 Li3 Mn4 127.8(5) . .
N21 Li2 Li3 Mn4 175.8(6) . .
Mn2 Li2 Li3 Mn4 154.8(4) . .
Li3 Li2 Li3 Mn4 66.4(3) 7_565 .
N41 Li2 Li3 Mn3 -121.6(6) 7_565 .
N41 Li2 Li3 Mn3 142.0(7) . .
N3 Li2 Li3 Mn3 -26.8(3) . .
N21 Li2 Li3 Mn3 21.3(6) . .
Mn4 Li2 Li3 Mn3 -154.5(5) . .
Mn2 Li2 Li3 Mn3 0.3(3) . .
Li3 Li2 Li3 Mn3 -88.2(4) 7_565 .
N41 Li2 Li3 Li3 -33.4(4) 7_565 7_565
N41 Li2 Li3 Li3 -129.8(6) . 7_565
N3 Li2 Li3 Li3 61.4(4) . 7_565
N21 Li2 Li3 Li3 109.5(6) . 7_565
Mn4 Li2 Li3 Li3 -66.4(3) . 7_565
Mn2 Li2 Li3 Li3 88.5(3) . 7_565
C1S C2S C3S C2S 175.8(18) . 7_565
Mn2 N1 C11 C14 -59.6(8) . .
Mn3 N1 C11 C14 60.0(8) . .
Mn1 N1 C11 C14 -179.2(5) . .
Mn2 N1 C11 C12 179.7(5) . .
Mn3 N1 C11 C12 -60.7(8) . .
Mn1 N1 C11 C12 60.2(8) . .
Mn2 N1 C11 C13 61.1(8) . .
Mn3 N1 C11 C13 -179.3(5) . .
Mn1 N1 C11 C13 -58.5(8) . .
Mn3 N2 C21 C22 59.6(6) 7_565 .
Mn3 N2 C21 C22 -59.6(6) . .
Mn1 N2 C21 C22 180.0 . .
Mn3 N2 C21 C23 -60.8(12) 7_565 7_565
Mn3 N2 C21 C23 179.9(6) . 7_565
Mn1 N2 C21 C23 59.6(7) . 7_565
Mn3 N2 C21 C23 -179.9(6) 7_565 .
Mn3 N2 C21 C23 60.8(12) . .
Mn1 N2 C21 C23 -59.6(7) . .
Mn3 N31 C31 C33 148(4) . .
Li3 N31 C31 C33 -33(2) . .
Mn3 N31 C31 C33" -33(5) . .
Li3 N31 C31 C33" 146(2) . .
Mn3 N31 C31 C34" -163(4) . .
Li3 N31 C31 C34" 16.1(19) . .
Mn3 N31 C31 C34 23(5) . .
Li3 N31 C31 C34 -158.1(17) . .
Mn3 N31 C31 C32" 90(4) . .
Li3 N31 C31 C32" -91.3(14) . .
Mn3 N31 C31 C32 -89(4) . .
Li3 N31 C31 C32 89.9(13) . .
Mn1 N11 C111 C112 120(100) . 7_565
Mn1 N11 C111 C112 -120(100) . .
Mn1 N11 C111 C113 0(100) . .
Mn2 N21 C211 C213 -120.9(10) . 7_565
Li2 N21 C211 C213 59.1(10) . 7_565
Mn2 N21 C211 C213 120.9(10) . .
Li2 N21 C211 C213 -59.1(10) . .
Mn2 N21 C211 C212 0.000(9) . .
Li2 N21 C211 C212 180.000(2) . .
Mn4 N41 C411 C414 -53.4(15) . .
Li3 N41 C411 C414 47.2(18) . .
Li2 N41 C411 C414 -156.3(14) . .
Mn4 N41 C411 C412 -175.1(9) . .
Li3 N41 C411 C412 -74.5(14) . .
Li2 N41 C411 C412 82.0(14) . .
Mn4 N41 C411 C413 76.3(12) . .
Li3 N41 C411 C413 176.9(12) . .
Li2 N41 C411 C413 -26.6(16) . .
Mn4 N42 C421 C422 -61.3(3) . 7_565
Li3 N42 C421 C422 -167.0(9) . 7_565
Li3 N42 C421 C422 44.4(11) 7_565 7_565
Mn4 N42 C421 C422 61.3(3) . .
Li3 N42 C421 C422 -44.4(11) . .
Li3 N42 C421 C422 167.0(9) 7_565 .
Mn4 N42 C421 C42' 119.3(4) . .
Li3 N42 C421 C42' 13.6(10) . .
Li3 N42 C421 C42' -135.0(10) 7_565 .
Mn4 N42 C421 C42' -119.3(4) . 7_565
Li3 N42 C421 C42' 135.0(10) . 7_565
Li3 N42 C421 C42' -13.6(10) 7_565 7_565
Mn4 N42 C421 C42" 0.000(1) . .
Li3 N42 C421 C42" -105.7(9) . .
Li3 N42 C421 C42" 105.7(9) 7_565 .
Mn4 N42 C421 C423 180.000(1) . .
Li3 N42 C421 C423 74.3(9) . .
Li3 N42 C421 C423 -74.3(9) 7_565 .
