#------------------------------------------------------------------------------
#$Date: 2018-09-07 13:49:38 +0300 (Fri, 07 Sep 2018) $
#$Revision: 210527 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/36/7103648.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_7103648
loop_
_publ_author_name
'Forbes, Glenn C.'
'Kenley, Fiona R.'
'Kennedy, Alan R.'
'Mulvey, Robert E.'
'O'Hara, Charles T.'
'Parkinson, John A.'
_publ_section_title
;
 Synthesis of the mixed lithium--potassium--(bis)magnesium N-metallated/N,
 C-dimetallated amide [Li2K2Mg4{But(Me3Si)N}4{But[Me2(H2C)Si]N}4]: an
 inverse crown molecule with an atomless cavity
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   10
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              1140
_journal_page_last               1141
_journal_paper_doi               10.1039/b301374j
_journal_year                    2003
_chemical_formula_sum            'C62 H154 K2 Li2 Mg4 N8 Si8'
_chemical_formula_weight         1425.97
_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                 106.135(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   29.5490(2)
_cell_length_b                   14.6937(1)
_cell_length_c                   43.9600(3)
_cell_measurement_reflns_used    23129
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      26.37
_cell_measurement_theta_min      2.91
_cell_volume                     18334.9(2)
_computing_data_collection       'Collect and Denzo'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    Shelxls-97
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'omega and phi scans'
_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  0.0298
_diffrn_reflns_av_sigmaI/netI    0.0439
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       54
_diffrn_reflns_limit_l_min       -54
_diffrn_reflns_number            33036
_diffrn_reflns_theta_full        26.85
_diffrn_reflns_theta_max         26.85
_diffrn_reflns_theta_min         1.56
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.271
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.033
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'fragment from large prism'
_exptl_crystal_F_000             6288
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.653
_refine_diff_density_min         -0.589
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     858
_refine_ls_number_reflns         19142
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0679
_refine_ls_R_factor_gt           0.0505
_refine_ls_shift/su_max          0.020
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0432P)²+39.9099P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1138
_refine_ls_wR_factor_ref         0.1213
_reflns_number_gt                15434
_reflns_number_total             19142
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b301374j.txt
_cod_data_source_block           grem82
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'MONOCLINIC' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7103648
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 0.675873(18) 0.30682(4) 0.636362(13) 0.02986(12) Uani 1 1 d . . .
K2 K 0.805349(18) -0.01111(4) 0.625077(12) 0.02898(12) Uani 1 1 d . . .
Mg1 Mg 0.79760(3) 0.38311(5) 0.656817(17) 0.02177(16) Uani 1 1 d . . .
Mg2 Mg 0.70215(2) -0.01138(5) 0.557185(17) 0.02018(15) Uani 1 1 d . . .
Mg3 Mg 0.85959(3) 0.11084(5) 0.697057(17) 0.02060(16) Uani 1 1 d . . .
Mg4 Mg 0.60433(3) 0.10625(5) 0.611840(17) 0.02132(16) Uani 1 1 d . . .
Li1 Li 0.86593(16) 0.2910(3) 0.69734(11) 0.0367(10) Uani 1 1 d . . .
Li2 Li 0.61665(15) 0.0036(3) 0.56501(10) 0.0313(9) Uani 1 1 d . . .
Si1 Si 0.71726(3) 0.53554(4) 0.644108(16) 0.03005(15) Uani 1 1 d . . .
Si2 Si 0.89049(2) 0.28402(4) 0.645265(14) 0.02136(13) Uani 1 1 d . . .
Si3 Si 0.81034(2) 0.26140(4) 0.732213(14) 0.02050(13) Uani 1 1 d . . .
Si4 Si 0.89685(2) -0.09393(4) 0.691862(16) 0.02593(14) Uani 1 1 d . . .
Si5 Si 0.79433(2) -0.11882(5) 0.550653(16) 0.02782(15) Uani 1 1 d . . .
Si6 Si 0.63943(2) -0.10583(4) 0.612294(14) 0.01919(13) Uani 1 1 d . . .
Si7 Si 0.62201(2) 0.14636(4) 0.532566(14) 0.02242(13) Uani 1 1 d . . .
Si8 Si 0.55698(2) 0.27264(5) 0.639567(18) 0.03196(16) Uani 1 1 d . . .
N1 N 0.74144(7) 0.44953(12) 0.62788(4) 0.0234(4) Uani 1 1 d . A .
N2 N 0.86948(6) 0.37538(12) 0.66245(4) 0.0233(4) Uani 1 1 d . B .
N3 N 0.86209(6) 0.20615(12) 0.73192(4) 0.0211(4) Uani 1 1 d . . .
N4 N 0.85056(6) -0.02606(12) 0.69362(4) 0.0199(4) Uani 1 1 d . . .
N5 N 0.77045(6) -0.01578(12) 0.55567(4) 0.0214(4) Uani 1 1 d . . .
N6 N 0.59250(6) -0.03006(12) 0.60181(4) 0.0192(4) Uani 1 1 d . . .
N7 N 0.63946(6) 0.03575(12) 0.52756(4) 0.0210(4) Uani 1 1 d . . .
N8 N 0.60023(6) 0.19158(13) 0.64770(4) 0.0244(4) Uani 1 1 d . . .
C1 C 0.65184(10) 0.5523(2) 0.62789(8) 0.0484(8) Uani 1 1 d . . .
H1A H 0.6450 0.5813 0.6070 0.073 Uiso 1 1 calc R . .
H1B H 0.6404 0.5912 0.6423 0.073 Uiso 1 1 calc R . .
H1C H 0.6360 0.4931 0.6259 0.073 Uiso 1 1 calc R . .
C2 C 0.74292(11) 0.65170(19) 0.64340(9) 0.0546(9) Uani 1 1 d . . .
H2A H 0.7770 0.6495 0.6533 0.082 Uiso 1 1 calc R . .
H2B H 0.7284 0.6941 0.6551 0.082 Uiso 1 1 calc R . .
H2C H 0.7368 0.6723 0.6214 0.082 Uiso 1 1 calc R . .
C3 C 0.72576(14) 0.5065(2) 0.68683(7) 0.0599(10) Uani 1 1 d . . .
H3A H 0.7102 0.4485 0.6884 0.090 Uiso 1 1 calc R . .
H3B H 0.7120 0.5545 0.6969 0.090 Uiso 1 1 calc R . .
H3C H 0.7595 0.5014 0.6975 0.090 Uiso 1 1 calc R . .
C4 C 0.73896(9) 0.45102(15) 0.59356(5) 0.0246(5) Uani 1 1 d . . .
C5 C 0.78072(14) 0.5059(3) 0.58737(10) 0.0363(10) Uiso 0.677(5) 1 d P A 1
H5A H 0.7777 0.5702 0.5924 0.054 Uiso 0.677(5) 1 calc PR A 1
H5B H 0.7801 0.5001 0.5650 0.054 Uiso 0.677(5) 1 calc PR A 1
H5C H 0.8106 0.4820 0.6008 0.054 Uiso 0.677(5) 1 calc PR A 1
C6 C 0.69388(14) 0.4836(3) 0.57164(10) 0.0406(11) Uiso 0.677(5) 1 d P A 1
H6A H 0.6676 0.4487 0.5752 0.061 Uiso 0.677(5) 1 calc PR A 1
H6B H 0.6948 0.4754 0.5497 0.061 Uiso 0.677(5) 1 calc PR A 1
H6C H 0.6896 0.5483 0.5756 0.061 Uiso 0.677(5) 1 calc PR A 1
C7 C 0.74771(13) 0.3511(2) 0.58417(8) 0.0267(9) Uiso 0.677(5) 1 d P A 1
H7A H 0.7765 0.3275 0.5990 0.040 Uiso 0.677(5) 1 calc PR A 1
H7B H 0.7513 0.3505 0.5627 0.040 Uiso 0.677(5) 1 calc PR A 1
H7C H 0.7209 0.3129 0.5850 0.040 Uiso 0.677(5) 1 calc PR A 1
C8 C 0.88816(9) 0.29855(18) 0.60211(6) 0.0322(6) Uani 1 1 d . . .
H8A H 0.8561 0.3148 0.5900 0.048 Uiso 1 1 calc R . .
H8B H 0.8973 0.2414 0.5940 0.048 Uiso 1 1 calc R . .
H8C H 0.9099 0.3470 0.6000 0.048 Uiso 1 1 calc R . .
C9 C 0.85648(8) 0.18268(15) 0.65233(5) 0.0217(5) Uani 1 1 d . . .
C10 C 0.95382(8) 0.25328(18) 0.66548(6) 0.0326(6) Uani 1 1 d . . .
H10A H 0.9746 0.3020 0.6621 0.049 Uiso 1 1 calc R . .
H10B H 0.9618 0.1963 0.6566 0.049 Uiso 1 1 calc R . .
H10C H 0.9579 0.2456 0.6882 0.049 Uiso 1 1 calc R . .
C11 C 0.89448(9) 0.46455(17) 0.66962(6) 0.0338(6) Uani 1 1 d . . .
C12 C 0.91625(13) 0.4967(2) 0.64408(9) 0.0415(9) Uiso 0.791(5) 1 d P B 1
H12A H 0.9411 0.4542 0.6425 0.062 Uiso 0.791(5) 1 calc PR B 1
H12B H 0.9298 0.5574 0.6495 0.062 Uiso 0.791(5) 1 calc PR B 1
H12C H 0.8919 0.4991 0.6237 0.062 Uiso 0.791(5) 1 calc PR B 1
C13 C 0.86054(13) 0.5349(2) 0.67521(10) 0.0387(9) Uiso 0.791(5) 1 d P B 1
H13A H 0.8354 0.5448 0.6556 0.058 Uiso 0.791(5) 1 calc PR B 1
H13B H 0.8773 0.5921 0.6819 0.058 Uiso 0.791(5) 1 calc PR B 1
H13C H 0.8468 0.5134 0.6918 0.058 Uiso 0.791(5) 1 calc PR B 1
C14 C 0.93496(13) 0.4566(3) 0.70144(9) 0.0439(10) Uiso 0.791(5) 1 d P B 1
H14A H 0.9214 0.4399 0.7187 0.066 Uiso 0.791(5) 1 calc PR B 1
H14B H 0.9512 0.5152 0.7063 0.066 Uiso 0.791(5) 1 calc PR B 1
H14C H 0.9574 0.4097 0.6992 0.066 Uiso 0.791(5) 1 calc PR B 1
C15 C 0.77960(8) 0.28532(15) 0.68966(5) 0.0203(4) Uani 1 1 d . . .
C16 C 0.81927(9) 0.37650(17) 0.75235(6) 0.0317(5) Uani 1 1 d . . .
H16A H 0.8352 0.3686 0.7749 0.048 Uiso 1 1 calc R . .
H16B H 0.7886 0.4056 0.7498 0.048 Uiso 1 1 calc R . .
H16C H 0.8387 0.4148 0.7427 0.048 Uiso 1 1 calc R . .
C17 C 0.77137(9) 0.19946(17) 0.75281(6) 0.0291(5) Uani 1 1 d . . .
H17A H 0.7685 0.1355 0.7462 0.044 Uiso 1 1 calc R . .
H17B H 0.7401 0.2277 0.7472 0.044 Uiso 1 1 calc R . .
H17C H 0.7852 0.2029 0.7758 0.044 Uiso 1 1 calc R . .
C18 C 0.90338(8) 0.19705(17) 0.76067(5) 0.0292(5) Uani 1 1 d . . .
C19 C 0.93211(10) 0.2852(2) 0.76638(7) 0.0467(7) Uani 1 1 d . . .
H19A H 0.9440 0.2978 0.7481 0.070 Uiso 1 1 calc R . .
H19B H 0.9587 0.2787 0.7854 0.070 Uiso 1 1 calc R . .
H19C H 0.9120 0.3357 0.7693 0.070 Uiso 1 1 calc R . .
C20 C 0.88926(10) 0.1728(2) 0.79077(6) 0.0403(7) Uani 1 1 d . . .
H20A H 0.8697 0.2217 0.7956 0.060 Uiso 1 1 calc R . .
H20B H 0.9177 0.1655 0.8085 0.060 Uiso 1 1 calc R . .
H20C H 0.8714 0.1158 0.7874 0.060 Uiso 1 1 calc R . .
C21 C 0.93535(9) 0.12125(19) 0.75469(6) 0.0358(6) Uani 1 1 d . . .
H21A H 0.9181 0.0635 0.7515 0.054 Uiso 1 1 calc R . .
H21B H 0.9632 0.1160 0.7730 0.054 Uiso 1 1 calc R . .
H21C H 0.9453 0.1357 0.7357 0.054 Uiso 1 1 calc R . .
C22 C 0.93861(10) -0.02102(19) 0.67713(8) 0.0455(7) Uani 1 1 d . . .
H22A H 0.9230 0.0000 0.6556 0.068 Uiso 1 1 calc R . .
H22B H 0.9666 -0.0567 0.6769 0.068 Uiso 1 1 calc R . .
H22C H 0.9481 0.0316 0.6912 0.068 Uiso 1 1 calc R . .
C23 C 0.88114(10) -0.19211(18) 0.66300(7) 0.0403(6) Uani 1 1 d . . .
H23A H 0.8680 -0.2420 0.6727 0.060 Uiso 1 1 calc R . .
H23B H 0.9095 -0.2132 0.6577 0.060 Uiso 1 1 calc R . .
H23C H 0.8578 -0.1719 0.6437 0.060 Uiso 1 1 calc R . .
C24 C 0.93192(10) -0.1481(2) 0.72971(7) 0.0489(8) Uani 1 1 d . . .
H24A H 0.9433 -0.1010 0.7458 0.073 Uiso 1 1 calc R . .
H24B H 0.9588 -0.1807 0.7260 0.073 Uiso 1 1 calc R . .
H24C H 0.9119 -0.1910 0.7371 0.073 Uiso 1 1 calc R . .
C25 C 0.81296(8) -0.06036(15) 0.70740(5) 0.0222(5) Uani 1 1 d . . .
C26 C 0.76903(8) -0.00109(17) 0.69516(6) 0.0257(5) Uani 1 1 d . . .
C27 C 0.82810(9) -0.05407(19) 0.74367(6) 0.0321(6) Uani 1 1 d . . .
H27A H 0.8566 -0.0906 0.7521 0.048 Uiso 1 1 calc R . .
H27B H 0.8028 -0.0771 0.7520 0.048 Uiso 1 1 calc R . .
H27C H 0.8346 0.0096 0.7501 0.048 Uiso 1 1 calc R . .
C28 C 0.79799(9) -0.15873(17) 0.69792(6) 0.0336(6) Uani 1 1 d . . .
H28A H 0.7887 -0.1641 0.6748 0.050 Uiso 1 1 calc R . .
H28B H 0.7713 -0.1751 0.7059 0.050 Uiso 1 1 calc R . .
H28C H 0.8244 -0.1999 0.7070 0.050 Uiso 1 1 calc R . .
C29 C 0.76071(10) -0.20727(17) 0.56631(7) 0.0382(6) Uani 1 1 d . . .
H29A H 0.7645 -0.1962 0.5889 0.057 Uiso 1 1 calc R . .
H29B H 0.7729 -0.2678 0.5635 0.057 Uiso 1 1 calc R . .
H29C H 0.7272 -0.2039 0.5547 0.057 Uiso 1 1 calc R . .
C30 C 0.85827(10) -0.1371(2) 0.57392(7) 0.0456(7) Uani 1 1 d . . .
H30A H 0.8789 -0.1103 0.5623 0.068 Uiso 1 1 calc R . .
H30B H 0.8646 -0.2025 0.5767 0.068 Uiso 1 1 calc R . .
H30C H 0.8642 -0.1080 0.5947 0.068 Uiso 1 1 calc R . .
C31 C 0.79247(10) -0.15119(18) 0.50900(6) 0.0370(6) Uani 1 1 d . . .
H31A H 0.7600 -0.1472 0.4955 0.055 Uiso 1 1 calc R . .
H31B H 0.8040 -0.2136 0.5087 0.055 Uiso 1 1 calc R . .
H31C H 0.8125 -0.1096 0.5010 0.055 Uiso 1 1 calc R . .
C32 C 0.78640(8) 0.06882(16) 0.54345(5) 0.0238(5) Uani 1 1 d . . .
C33 C 0.77355(9) 0.15031(16) 0.56136(6) 0.0321(6) Uani 1 1 d . . .
H33A H 0.7397 0.1492 0.5594 0.048 Uiso 1 1 calc R . .
H33B H 0.7815 0.2070 0.5523 0.048 Uiso 1 1 calc R . .
H33C H 0.7912 0.1466 0.5838 0.048 Uiso 1 1 calc R . .
C34 C 0.76109(9) 0.08339(17) 0.50798(5) 0.0297(5) Uani 1 1 d . . .
H34A H 0.7686 0.0329 0.4956 0.044 Uiso 1 1 calc R . .
H34B H 0.7716 0.1408 0.5009 0.044 Uiso 1 1 calc R . .
H34C H 0.7270 0.0857 0.5049 0.044 Uiso 1 1 calc R . .
C35 C 0.83976(9) 0.07262(19) 0.54784(7) 0.0381(6) Uani 1 1 d . . .
H35A H 0.8564 0.0623 0.5702 0.057 Uiso 1 1 calc R . .
H35B H 0.8482 0.1325 0.5413 0.057 Uiso 1 1 calc R . .
H35C H 0.8486 0.0254 0.5348 0.057 Uiso 1 1 calc R . .
C36 C 0.69006(8) -0.04678(16) 0.60298(5) 0.0209(4) Uani 1 1 d . . .
C37 C 0.65450(8) -0.14687(17) 0.65452(5) 0.0275(5) Uani 1 1 d . . .
H37A H 0.6556 -0.0949 0.6687 0.041 Uiso 1 1 calc R . .
H37B H 0.6853 -0.1770 0.6599 0.041 Uiso 1 1 calc R . .
H37C H 0.6304 -0.1901 0.6569 0.041 Uiso 1 1 calc R . .
C38 C 0.63039(9) -0.21268(16) 0.58742(6) 0.0297(5) Uani 1 1 d . . .
H38A H 0.6056 -0.2498 0.5922 0.045 Uiso 1 1 calc R . .
H38B H 0.6598 -0.2475 0.5923 0.045 Uiso 1 1 calc R . .
H38C H 0.6210 -0.1962 0.5649 0.045 Uiso 1 1 calc R . .
C39 C 0.54267(8) -0.05915(16) 0.59717(5) 0.0240(5) Uani 1 1 d . . .
C40 C 0.51296(9) 0.02546(19) 0.59841(7) 0.0317(5) Uani 1 1 d . . .
C41 C 0.52254(8) -0.10252(18) 0.56436(6) 0.0317(5) Uani 1 1 d . . .
H41A H 0.5234 -0.0581 0.5479 0.048 Uiso 1 1 calc R . .
H41B H 0.4899 -0.1214 0.5619 0.048 Uiso 1 1 calc R . .
H41C H 0.5415 -0.1558 0.5624 0.048 Uiso 1 1 calc R . .
C42 C 0.53615(9) -0.12700(18) 0.62214(6) 0.0329(6) Uani 1 1 d . . .
H42A H 0.5537 -0.1829 0.6210 0.049 Uiso 1 1 calc R . .
H42B H 0.5026 -0.1414 0.6181 0.049 Uiso 1 1 calc R . .
H42C H 0.5480 -0.1001 0.6433 0.049 Uiso 1 1 calc R . .
C43 C 0.63696(8) 0.16394(15) 0.57644(5) 0.0226(5) Uani 1 1 d . . .
C44 C 0.64821(10) 0.23688(17) 0.51228(6) 0.0363(6) Uani 1 1 d . . .
H44A H 0.6826 0.2321 0.5191 0.054 Uiso 1 1 calc R . .
H44B H 0.6387 0.2970 0.5179 0.054 Uiso 1 1 calc R . .
H44C H 0.6369 0.2286 0.4893 0.054 Uiso 1 1 calc R . .
C45 C 0.55643(9) 0.16665(18) 0.51790(6) 0.0351(6) Uani 1 1 d . . .
H45A H 0.5462 0.1615 0.4948 0.053 Uiso 1 1 calc R . .
H45B H 0.5491 0.2277 0.5241 0.053 Uiso 1 1 calc R . .
H45C H 0.5399 0.1212 0.5272 0.053 Uiso 1 1 calc R . .
C46 C 0.62279(8) -0.01604(16) 0.49723(5) 0.0243(5) Uani 1 1 d . . .
C47 C 0.62124(9) 0.04152(17) 0.46769(5) 0.0307(5) Uani 1 1 d . . .
H47A H 0.5987 0.0914 0.4660 0.046 Uiso 1 1 calc R . .
H47B H 0.6115 0.0032 0.4488 0.046 Uiso 1 1 calc R . .
H47C H 0.6526 0.0666 0.4695 0.046 Uiso 1 1 calc R . .
C48 C 0.57355(8) -0.05616(17) 0.49362(6) 0.0305(5) Uani 1 1 d . . .
H48A H 0.5747 -0.0974 0.5113 0.046 Uiso 1 1 calc R . .
H48B H 0.5633 -0.0898 0.4736 0.046 Uiso 1 1 calc R . .
H48C H 0.5512 -0.0068 0.4936 0.046 Uiso 1 1 calc R . .
C49 C 0.65637(10) -0.09568(18) 0.49800(6) 0.0311(5) Uani 1 1 d . . .
C50 C 0.57278(11) 0.38591(19) 0.66005(8) 0.0499(8) Uani 1 1 d . . .
H50A H 0.5668 0.3838 0.6809 0.075 Uiso 1 1 calc R . .
H50B H 0.5535 0.4339 0.6472 0.075 Uiso 1 1 calc R . .
H50C H 0.6062 0.3988 0.6627 0.075 Uiso 1 1 calc R . .
C51 C 0.49984(10) 0.2429(2) 0.64790(9) 0.0561(9) Uani 1 1 d . . .
H51A H 0.4879 0.1854 0.6374 0.084 Uiso 1 1 calc R . .
H51B H 0.4768 0.2913 0.6399 0.084 Uiso 1 1 calc R . .
H51C H 0.5049 0.2363 0.6708 0.084 Uiso 1 1 calc R . .
C52 C 0.54250(12) 0.2980(2) 0.59619(7) 0.0555(9) Uani 1 1 d . . .
H52A H 0.5699 0.3256 0.5914 0.083 Uiso 1 1 calc R . .
H52B H 0.5159 0.3404 0.5903 0.083 Uiso 1 1 calc R . .
H52C H 0.5341 0.2414 0.5841 0.083 Uiso 1 1 calc R . .
C53 C 0.61845(8) 0.15174(17) 0.67982(5) 0.0274(5) Uani 1 1 d . . .
C54 C 0.66685(9) 0.10890(18) 0.68251(6) 0.0345(6) Uani 1 1 d . . .
H54A H 0.6640 0.0646 0.6654 0.052 Uiso 1 1 calc R . .
H54B H 0.6782 0.0782 0.7030 0.052 Uiso 1 1 calc R . .
H54C H 0.6892 0.1566 0.6808 0.052 Uiso 1 1 calc R . .
C55 C 0.62615(11) 0.2217(2) 0.70670(7) 0.0478(7) Uani 1 1 d . . .
H55A H 0.6462 0.2711 0.7029 0.072 Uiso 1 1 calc R . .
H55B H 0.6414 0.1921 0.7269 0.072 Uiso 1 1 calc R . .
H55C H 0.5957 0.2466 0.7074 0.072 Uiso 1 1 calc R . .
C56 C 0.58660(10) 0.0751(2) 0.68598(7) 0.0430(7) Uani 1 1 d . . .
H56A H 0.5552 0.0995 0.6844 0.065 Uiso 1 1 calc R . .
H56B H 0.6002 0.0501 0.7072 0.065 Uiso 1 1 calc R . .
H56C H 0.5841 0.0269 0.6702 0.065 Uiso 1 1 calc R . .
C58 C 0.47351(19) -0.4344(4) 0.60097(13) 0.1092(17) Uiso 1 1 d . . .
H58A H 0.4697 -0.5005 0.5986 0.164 Uiso 1 1 calc R . .
H58B H 0.4465 -0.4086 0.6067 0.164 Uiso 1 1 calc R . .
H58C H 0.5025 -0.4208 0.6176 0.164 Uiso 1 1 calc R . .
C59 C 0.4764(2) -0.3946(4) 0.57097(14) 0.1100(17) Uiso 1 1 d . . .
H59A H 0.4481 -0.4131 0.5541 0.132 Uiso 1 1 calc R . .
H59B H 0.4756 -0.3275 0.5728 0.132 Uiso 1 1 calc R . .
C60 C 0.51705(18) -0.4192(4) 0.56142(12) 0.0980(15) Uiso 1 1 d . . .
H60A H 0.5174 -0.4863 0.5598 0.118 Uiso 1 1 calc R . .
H60B H 0.5451 -0.4016 0.5787 0.118 Uiso 1 1 calc R . .
C61 C 0.52311(17) -0.3815(4) 0.53164(12) 0.0943(14) Uiso 1 1 d . . .
H61A H 0.5226 -0.3144 0.5334 0.113 Uiso 1 1 calc R . .
H61B H 0.4949 -0.3990 0.5145 0.113 Uiso 1 1 calc R . .
C62 C 0.5657(2) -0.4061(4) 0.52073(16) 0.129(2) Uiso 1 1 d . . .
H62A H 0.5944 -0.3931 0.5382 0.155 Uiso 1 1 calc R . .
H62B H 0.5651 -0.4725 0.5167 0.155 Uiso 1 1 calc R . .
C63 C 0.5697(2) -0.3586(5) 0.49210(16) 0.141(2) Uiso 1 1 d . . .
H63A H 0.5506 -0.3902 0.4733 0.211 Uiso 1 1 calc R . .
H63B H 0.6027 -0.3581 0.4918 0.211 Uiso 1 1 calc R . .
H63C H 0.5585 -0.2959 0.4922 0.211 Uiso 1 1 calc R . .
C5A C 0.7435(3) 0.5484(5) 0.5802(2) 0.034(2) Uiso 0.323(5) 1 d P A 2
H5A1 H 0.7159 0.5849 0.5808 0.051 Uiso 0.323(5) 1 calc PR A 2
H5A2 H 0.7451 0.5435 0.5583 0.051 Uiso 0.323(5) 1 calc PR A 2
H5A3 H 0.7721 0.5777 0.5932 0.051 Uiso 0.323(5) 1 calc PR A 2
C6A C 0.6894(3) 0.4160(7) 0.5723(2) 0.044(2) Uiso 0.323(5) 1 d P A 2
H6A1 H 0.6856 0.3515 0.5767 0.067 Uiso 0.323(5) 1 calc PR A 2
H6A2 H 0.6878 0.4235 0.5498 0.067 Uiso 0.323(5) 1 calc PR A 2
H6A3 H 0.6641 0.4514 0.5771 0.067 Uiso 0.323(5) 1 calc PR A 2
C7A C 0.7752(3) 0.3895(6) 0.5865(2) 0.041(2) Uiso 0.323(5) 1 d P A 2
H7A1 H 0.8068 0.4108 0.5980 0.061 Uiso 0.323(5) 1 calc PR A 2
H7A2 H 0.7720 0.3902 0.5637 0.061 Uiso 0.323(5) 1 calc PR A 2
H7A3 H 0.7707 0.3274 0.5932 0.061 Uiso 0.323(5) 1 calc PR A 2
C12A C 0.8758(6) 0.5287(11) 0.6368(4) 0.054(4) Uiso 0.209(5) 1 d P B 2
H12D H 0.8859 0.5009 0.6195 0.081 Uiso 0.209(5) 1 calc PR B 2
H12E H 0.8893 0.5899 0.6410 0.081 Uiso 0.209(5) 1 calc PR B 2
H12F H 0.8414 0.5328 0.6308 0.081 Uiso 0.209(5) 1 calc PR B 2
C13A C 0.8750(5) 0.5200(9) 0.6919(3) 0.034(3) Uiso 0.209(5) 1 d P B 2
H13D H 0.8408 0.5250 0.6834 0.051 Uiso 0.209(5) 1 calc PR B 2
H13E H 0.8891 0.5809 0.6942 0.051 Uiso 0.209(5) 1 calc PR B 2
H13F H 0.8826 0.4901 0.7126 0.051 Uiso 0.209(5) 1 calc PR B 2
C14A C 0.9449(6) 0.4681(12) 0.6761(4) 0.059(5) Uiso 0.209(5) 1 d P B 2
H14D H 0.9594 0.4314 0.6948 0.088 Uiso 0.209(5) 1 calc PR B 2
H14E H 0.9555 0.5314 0.6799 0.088 Uiso 0.209(5) 1 calc PR B 2
H14F H 0.9541 0.4441 0.6578 0.088 Uiso 0.209(5) 1 calc PR B 2
H9B H 0.8245(9) 0.1894(16) 0.6409(6) 0.024(6) Uiso 1 1 d . . .
H49A H 0.6563(9) -0.1358(19) 0.5164(7) 0.034(7) Uiso 1 1 d . . .
H49C H 0.6463(9) -0.1345(18) 0.4797(7) 0.034(7) Uiso 1 1 d . . .
H49B H 0.6869(10) -0.0744(18) 0.4991(6) 0.034(7) Uiso 1 1 d . . .
H43B H 0.6717(10) 0.1607(18) 0.5856(6) 0.035(7) Uiso 1 1 d . . .
H36A H 0.6989(9) 0.0041(19) 0.6166(6) 0.031(7) Uiso 1 1 d . . .
H15B H 0.7706(9) 0.227(2) 0.6787(7) 0.038(7) Uiso 1 1 d . . .
H40A H 0.5156(9) 0.0727(19) 0.5823(6) 0.033(7) Uiso 1 1 d . . .
H40C H 0.5228(9) 0.0541(19) 0.6196(7) 0.039(8) Uiso 1 1 d . . .
H9A H 0.8681(9) 0.1359(19) 0.6409(6) 0.037(7) Uiso 1 1 d . . .
H15A H 0.7501(9) 0.3097(17) 0.6913(6) 0.025(6) Uiso 1 1 d . . .
H36B H 0.7156(9) -0.0904(18) 0.6104(6) 0.030(7) Uiso 1 1 d . . .
H43A H 0.6279(10) 0.226(2) 0.5778(7) 0.043(8) Uiso 1 1 d . . .
H26A H 0.7759(9) 0.0615(19) 0.6994(6) 0.028(7) Uiso 1 1 d . . .
H26C H 0.7559(9) -0.0093(17) 0.6715(7) 0.029(7) Uiso 1 1 d . . .
H40B H 0.4787(11) 0.011(2) 0.5943(7) 0.052(9) Uiso 1 1 d . . .
H26B H 0.7432(9) -0.0180(17) 0.7044(6) 0.030(7) Uiso 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mg Mg 0.0486 0.0363 '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'
Si Si 0.0817 0.0704 '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'
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 K1 N8 169.56(5) . . ?
N1 K1 C43 116.43(6) . . ?
N8 K1 C43 70.09(5) . . ?
N1 K1 C15 69.27(5) . . ?
N8 K1 C15 114.86(6) . . ?
C43 K1 C15 123.35(6) . . ?
N1 K1 Si1 28.39(4) . . ?
N8 K1 Si1 141.32(4) . . ?
C43 K1 Si1 135.08(4) . . ?
C15 K1 Si1 78.28(4) . . ?
N1 K1 Si8 142.10(4) . . ?
N8 K1 Si8 28.22(4) . . ?
C43 K1 Si8 79.36(4) . . ?
C15 K1 Si8 132.96(4) . . ?
Si1 K1 Si8 116.24(2) . . ?
N1 K1 Mg4 153.28(4) . . ?
N8 K1 Mg4 34.46(4) . . ?
C43 K1 Mg4 36.97(4) . . ?
C15 K1 Mg4 118.85(4) . . ?
Si1 K1 Mg4 162.87(2) . . ?
Si8 K1 Mg4 53.110(17) . . ?
N1 K1 Mg1 34.08(4) . . ?
N8 K1 Mg1 151.43(4) . . ?
C43 K1 Mg1 119.54(4) . . ?
C15 K1 Mg1 36.62(4) . . ?
Si1 K1 Mg1 52.775(18) . . ?
Si8 K1 Mg1 161.00(2) . . ?
Mg4 K1 Mg1 141.48(2) . . ?
N1 K1 H43B 107.5(5) . . ?
N8 K1 H43B 80.9(5) . . ?
C43 K1 H43B 17.4(5) . . ?
C15 K1 H43B 106.8(5) . . ?
Si1 K1 H43B 132.2(5) . . ?
Si8 K1 H43B 95.1(5) . . ?
Mg4 K1 H43B 46.5(5) . . ?
Mg1 K1 H43B 103.4(5) . . ?
N1 K1 H15A 73.2(5) . . ?
N8 K1 H15A 108.3(5) . . ?
C43 K1 H15A 135.8(5) . . ?
C15 K1 H15A 15.1(5) . . ?
Si1 K1 H15A 74.6(5) . . ?
Si8 K1 H15A 120.9(5) . . ?
Mg4 K1 H15A 121.9(5) . . ?
Mg1 K1 H15A 44.9(5) . . ?
H43B K1 H15A 120.3(7) . . ?
N1 K1 H43A 111.4(6) . . ?
N8 K1 H43A 72.6(6) . . ?
C43 K1 H43A 15.5(6) . . ?
C15 K1 H43A 137.2(6) . . ?
Si1 K1 H43A 123.8(6) . . ?
Si8 K1 H43A 74.2(6) . . ?
Mg4 K1 H43A 44.1(6) . . ?
Mg1 K1 H43A 124.5(6) . . ?
H43B K1 H43A 30.5(7) . . ?
H15A K1 H43A 150.7(8) . . ?
N5 K2 N4 171.65(5) . . ?
N5 K2 C9 113.06(6) . . ?
N4 K2 C9 70.13(5) . . ?
N5 K2 C36 69.90(5) . . ?
N4 K2 C36 115.16(5) . . ?
C9 K2 C36 125.05(6) . . ?
N5 K2 C26 143.32(5) . . ?
N4 K2 C26 43.36(5) . . ?
C9 K2 C26 82.33(6) . . ?
C36 K2 C26 74.08(6) . . ?
N5 K2 Si5 28.44(4) . . ?
N4 K2 Si5 143.62(4) . . ?
C9 K2 Si5 129.33(4) . . ?
C36 K2 Si5 80.60(4) . . ?
C26 K2 Si5 147.69(5) . . ?
N5 K2 Mg3 150.02(4) . . ?
N4 K2 Mg3 34.29(4) . . ?
C9 K2 Mg3 37.08(4) . . ?
C36 K2 Mg3 120.42(4) . . ?
C26 K2 Mg3 51.87(4) . . ?
Si5 K2 Mg3 158.66(2) . . ?
N5 K2 Si4 143.64(4) . . ?
N4 K2 Si4 28.05(4) . . ?
C9 K2 Si4 80.27(4) . . ?
C36 K2 Si4 131.49(4) . . ?
C26 K2 Si4 69.21(4) . . ?
Si5 K2 Si4 116.99(2) . . ?
Mg3 K2 Si4 53.317(17) . . ?
N5 K2 Mg2 34.19(4) . . ?
N4 K2 Mg2 151.71(4) . . ?
C9 K2 Mg2 119.79(5) . . ?
C36 K2 Mg2 36.66(4) . . ?
C26 K2 Mg2 109.13(4) . . ?
Si5 K2 Mg2 53.344(17) . . ?
Mg3 K2 Mg2 142.26(2) . . ?
Si4 K2 Mg2 159.83(2) . . ?
N5 K2 H9B 104.4(5) . . ?
N4 K2 H9B 80.5(5) . . ?
C9 K2 H9B 16.6(5) . . ?
C36 K2 H9B 109.3(5) . . ?
C26 K2 H9B 80.9(4) . . ?
Si5 K2 H9B 127.1(5) . . ?
Mg3 K2 H9B 46.3(5) . . ?
Si4 K2 H9B 95.2(5) . . ?
Mg2 K2 H9B 104.4(5) . . ?
N5 K2 H36A 79.9(5) . . ?
N4 K2 H36A 106.7(5) . . ?
C9 K2 H36A 109.4(5) . . ?
C36 K2 H36A 16.5(5) . . ?
C26 K2 H36A 63.5(5) . . ?
Si5 K2 H36A 95.3(5) . . ?
Mg3 K2 H36A 105.1(5) . . ?
Si4 K2 H36A 129.3(5) . . ?
Mg2 K2 H36A 45.7(5) . . ?
H9B K2 H36A 94.4(7) . . ?
N5 K2 H9A 107.0(6) . . ?
N4 K2 H9A 73.9(6) . . ?
C9 K2 H9A 15.9(6) . . ?
C36 K2 H9A 138.5(6) . . ?
C26 K2 H9A 95.2(6) . . ?
Si5 K2 H9A 117.1(6) . . ?
Mg3 K2 H9A 45.3(6) . . ?
Si4 K2 H9A 76.3(6) . . ?
Mg2 K2 H9A 123.5(6) . . ?
H9B K2 H9A 29.6(7) . . ?
H36A K2 H9A 123.9(8) . . ?
N5 K2 H36B 73.5(5) . . ?
N4 K2 H36B 109.6(5) . . ?
C9 K2 H36B 138.9(5) . . ?
C36 K2 H36B 15.7(5) . . ?
C26 K2 H36B 73.8(5) . . ?
Si5 K2 H36B 76.4(5) . . ?
Mg3 K2 H36B 124.8(5) . . ?
Si4 K2 H36B 119.6(5) . . ?
Mg2 K2 H36B 44.4(5) . . ?
H9B K2 H36B 124.0(7) . . ?
H36A K2 H36B 29.6(7) . . ?
H9A K2 H36B 153.5(8) . . ?
N5 K2 H26C 130.4(5) . . ?
N4 K2 H26C 55.9(5) . . ?
C9 K2 H26C 90.3(5) . . ?
C36 K2 H26C 61.1(5) . . ?
C26 K2 H26C 13.0(5) . . ?
Si5 K2 H26C 137.2(5) . . ?
Mg3 K2 H26C 63.5(5) . . ?
Si4 K2 H26C 80.6(5) . . ?
Mg2 K2 H26C 96.3(5) . . ?
H9B K2 H26C 85.7(7) . . ?
H36A K2 H26C 50.8(7) . . ?
H9A K2 H26C 104.6(8) . . ?
H36B K2 H26C 61.5(7) . . ?
N1 Mg1 N2 136.96(8) . . ?
N1 Mg1 C15 114.72(8) . . ?
N2 Mg1 C15 108.18(8) . . ?
N1 Mg1 Li1 175.06(11) . . ?
N2 Mg1 Li1 47.96(10) . . ?
C15 Mg1 Li1 60.42(11) . . ?
N1 Mg1 Si1 28.25(5) . . ?
N2 Mg1 Si1 138.23(6) . . ?
C15 Mg1 Si1 105.57(6) . . ?
Li1 Mg1 Si1 149.48(10) . . ?
N1 Mg1 Si2 133.61(6) . . ?
N2 Mg1 Si2 28.00(5) . . ?
C15 Mg1 Si2 100.21(6) . . ?
Li1 Mg1 Si2 50.49(9) . . ?
Si1 Mg1 Si2 154.08(3) . . ?
N1 Mg1 K1 54.18(6) . . ?
N2 Mg1 K1 157.51(6) . . ?
C15 Mg1 K1 63.80(6) . . ?
Li1 Mg1 K1 121.56(10) . . ?
Si1 Mg1 K1 62.43(2) . . ?
Si2 Mg1 K1 129.81(3) . . ?
N5 Mg2 N7 135.45(8) . . ?
N5 Mg2 C36 115.84(8) . . ?
N7 Mg2 C36 108.09(8) . . ?
N5 Mg2 Li2 173.87(11) . . ?
N7 Mg2 Li2 48.25(10) . . ?
C36 Mg2 Li2 59.91(11) . . ?
N5 Mg2 C49 100.31(8) . . ?
N7 Mg2 C49 57.11(7) . . ?
C36 Mg2 C49 124.99(9) . . ?
Li2 Mg2 C49 85.82(11) . . ?
N5 Mg2 Si5 27.69(5) . . ?
N7 Mg2 Si5 137.62(6) . . ?
C36 Mg2 Si5 108.72(6) . . ?
Li2 Mg2 Si5 155.45(10) . . ?
C49 Mg2 Si5 84.54(6) . . ?
N5 Mg2 K2 54.07(5) . . ?
N7 Mg2 K2 156.97(6) . . ?
C36 Mg2 K2 63.95(6) . . ?
Li2 Mg2 K2 120.44(9) . . ?
C49 Mg2 K2 145.73(6) . . ?
Si5 Mg2 K2 62.391(19) . . ?
N4 Mg3 N3 134.85(8) . . ?
N4 Mg3 C9 115.78(8) . . ?
N3 Mg3 C9 108.70(8) . . ?
N4 Mg3 Li1 175.46(12) . . ?
N3 Mg3 Li1 48.02(11) . . ?
C9 Mg3 Li1 60.88(11) . . ?
N4 Mg3 Si4 27.47(5) . . ?
N3 Mg3 Si4 137.88(6) . . ?
C9 Mg3 Si4 108.20(7) . . ?
Li1 Mg3 Si4 154.63(10) . . ?
N4 Mg3 Si3 129.82(6) . . ?
N3 Mg3 Si3 27.91(5) . . ?
C9 Mg3 Si3 100.58(7) . . ?
Li1 Mg3 Si3 50.34(9) . . ?
Si4 Mg3 Si3 150.41(3) . . ?
N4 Mg3 K2 54.85(5) . . ?
N3 Mg3 K2 154.96(6) . . ?
C9 Mg3 K2 63.76(6) . . ?
Li1 Mg3 K2 120.93(10) . . ?
Si4 Mg3 K2 63.40(2) . . ?
Si3 Mg3 K2 127.23(3) . . ?
N8 Mg4 N6 135.94(8) . . ?
N8 Mg4 C43 115.97(9) . . ?
N6 Mg4 C43 107.64(8) . . ?
N8 Mg4 Li2 174.79(11) . . ?
N6 Mg4 Li2 48.23(10) . . ?
C43 Mg4 Li2 59.53(11) . . ?
N8 Mg4 C40 99.16(8) . . ?
N6 Mg4 C40 57.12(7) . . ?
C43 Mg4 C40 125.79(9) . . ?
Li2 Mg4 C40 85.93(11) . . ?
N8 Mg4 Si8 28.01(6) . . ?
N6 Mg4 Si8 138.90(6) . . ?
C43 Mg4 Si8 107.17(7) . . ?
Li2 Mg4 Si8 153.08(9) . . ?
C40 Mg4 Si8 84.76(6) . . ?
N8 Mg4 K1 54.87(6) . . ?
N6 Mg4 K1 155.18(6) . . ?
C43 Mg4 K1 64.18(6) . . ?
Li2 Mg4 K1 119.97(9) . . ?
C40 Mg4 K1 147.33(6) . . ?
Si8 Mg4 K1 63.09(2) . . ?
N3 Li1 N2 179.6(3) . . ?
N3 Li1 C15 78.96(16) . . ?
N2 Li1 C15 100.82(19) . . ?
N3 Li1 C9 100.9(2) . . ?
N2 Li1 C9 78.76(16) . . ?
C15 Li1 C9 89.22(17) . . ?
N3 Li1 Si3 42.26(9) . . ?
N2 Li1 Si3 137.7(2) . . ?
C15 Li1 Si3 43.41(9) . . ?
C9 Li1 Si3 114.53(18) . . ?
N3 Li1 Si2 137.6(2) . . ?
N2 Li1 Si2 42.11(10) . . ?
C15 Li1 Si2 114.13(18) . . ?
C9 Li1 Si2 43.13(9) . . ?
Si3 Li1 Si2 154.3(2) . . ?
N3 Li1 Mg3 50.27(11) . . ?
N2 Li1 Mg3 129.4(2) . . ?
C15 Li1 Mg3 84.11(15) . . ?
C9 Li1 Mg3 50.76(10) . . ?
Si3 Li1 Mg3 77.21(12) . . ?
Si2 Li1 Mg3 89.61(14) . . ?
N3 Li1 Mg1 129.4(2) . . ?
N2 Li1 Mg1 50.38(11) . . ?
C15 Li1 Mg1 50.62(10) . . ?
C9 Li1 Mg1 84.07(15) . . ?
Si3 Li1 Mg1 89.63(14) . . ?
Si2 Li1 Mg1 77.01(12) . . ?
Mg3 Li1 Mg1 117.70(18) . . ?
N7 Li2 N6 178.7(3) . . ?
N7 Li2 C43 79.76(15) . . ?
N6 Li2 C43 101.17(18) . . ?
N7 Li2 C36 101.22(18) . . ?
N6 Li2 C36 79.76(15) . . ?
C43 Li2 C36 91.76(17) . . ?
N7 Li2 Si6 137.9(2) . . ?
N6 Li2 Si6 42.53(9) . . ?
C43 Li2 Si6 116.27(18) . . ?
C36 Li2 Si6 43.68(9) . . ?
N7 Li2 Si7 42.50(9) . . ?
N6 Li2 Si7 137.9(2) . . ?
C43 Li2 Si7 43.78(9) . . ?
C36 Li2 Si7 116.41(17) . . ?
Si6 Li2 Si7 156.9(2) . . ?
N7 Li2 Mg2 50.36(10) . . ?
N6 Li2 Mg2 130.6(2) . . ?
C43 Li2 Mg2 85.32(14) . . ?
C36 Li2 Mg2 50.92(10) . . ?
Si6 Li2 Mg2 90.47(13) . . ?
Si7 Li2 Mg2 77.73(11) . . ?
N7 Li2 Mg4 130.8(2) . . ?
N6 Li2 Mg4 50.08(10) . . ?
C43 Li2 Mg4 51.20(10) . . ?
C36 Li2 Mg4 85.97(14) . . ?
Si6 Li2 Mg4 77.86(11) . . ?
Si7 Li2 Mg4 90.54(13) . . ?
Mg2 Li2 Mg4 119.21(17) . . ?
N1 Si1 C2 116.80(12) . . ?
N1 Si1 C3 107.22(11) . . ?
C2 Si1 C3 106.37(17) . . ?
N1 Si1 C1 116.41(12) . . ?
C2 Si1 C1 104.64(14) . . ?
C3 Si1 C1 104.31(16) . . ?
N1 Si1 Mg1 34.50(7) . . ?
C2 Si1 Mg1 110.92(10) . . ?
C3 Si1 Mg1 77.25(10) . . ?
C1 Si1 Mg1 142.42(10) . . ?
N1 Si1 K1 55.41(7) . . ?
C2 Si1 K1 171.64(11) . . ?
C3 Si1 K1 80.10(12) . . ?
C1 Si1 K1 78.34(9) . . ?
Mg1 Si1 K1 64.80(2) . . ?
N2 Si2 C9 105.64(10) . . ?
N2 Si2 C10 114.02(11) . . ?
C9 Si2 C10 103.84(11) . . ?
N2 Si2 C8 115.53(11) . . ?
C9 Si2 C8 112.65(11) . . ?
C10 Si2 C8 104.71(11) . . ?
N2 Si2 Li1 50.44(12) . . ?
C9 Si2 Li1 65.73(13) . . ?
C10 Si2 Li1 94.47(13) . . ?
C8 Si2 Li1 160.32(13) . . ?
N2 Si2 Mg1 34.05(6) . . ?
C9 Si2 Mg1 79.37(7) . . ?
C10 Si2 Mg1 142.93(9) . . ?
C8 Si2 Mg1 107.91(8) . . ?
Li1 Si2 Mg1 52.49(10) . . ?
N3 Si3 C15 105.33(9) . . ?
N3 Si3 C17 115.79(10) . . ?
C15 Si3 C17 112.28(11) . . ?
N3 Si3 C16 114.39(11) . . ?
C15 Si3 C16 105.40(11) . . ?
C17 Si3 C16 103.36(11) . . ?
N3 Si3 Li1 50.60(12) . . ?
C15 Si3 Li1 65.55(12) . . ?
C17 Si3 Li1 160.54(13) . . ?
C16 Si3 Li1 95.66(14) . . ?
N3 Si3 Mg3 33.81(6) . . ?
C15 Si3 Mg3 79.07(7) . . ?
C17 Si3 Mg3 108.21(8) . . ?
C16 Si3 Mg3 143.56(9) . . ?
Li1 Si3 Mg3 52.45(10) . . ?
N4 Si4 C24 117.31(11) . . ?
N4 Si4 C22 107.03(11) . . ?
C24 Si4 C22 107.09(15) . . ?
N4 Si4 C23 115.11(11) . . ?
C24 Si4 C23 104.07(14) . . ?
C22 Si4 C23 105.41(13) . . ?
N4 Si4 Mg3 33.15(6) . . ?
C24 Si4 Mg3 116.58(11) . . ?
C22 Si4 Mg3 76.29(9) . . ?
C23 Si4 Mg3 137.05(9) . . ?
N4 Si4 K2 54.01(6) . . ?
C24 Si4 K2 165.95(10) . . ?
C22 Si4 K2 86.71(10) . . ?
C23 Si4 K2 73.89(9) . . ?
Mg3 Si4 K2 63.285(19) . . ?
N5 Si5 C31 116.66(11) . . ?
N5 Si5 C29 106.62(10) . . ?
C31 Si5 C29 107.87(13) . . ?
N5 Si5 C30 116.10(12) . . ?
C31 Si5 C30 104.14(13) . . ?
C29 Si5 C30 104.63(14) . . ?
N5 Si5 Mg2 33.63(6) . . ?
C31 Si5 Mg2 114.43(9) . . ?
C29 Si5 Mg2 76.15(8) . . ?
C30 Si5 Mg2 139.29(10) . . ?
N5 Si5 K2 54.88(6) . . ?
C31 Si5 K2 167.76(9) . . ?
C29 Si5 K2 83.90(9) . . ?
C30 Si5 K2 75.26(9) . . ?
Mg2 Si5 K2 64.265(19) . . ?
N6 Si6 C36 105.82(9) . . ?
N6 Si6 C37 114.78(10) . . ?
C36 Si6 C37 112.32(10) . . ?
N6 Si6 C38 113.88(10) . . ?
C36 Si6 C38 104.59(11) . . ?
C37 Si6 C38 105.12(11) . . ?
N6 Si6 Li2 51.19(11) . . ?
C36 Si6 Li2 65.02(12) . . ?
C37 Si6 Li2 159.40(13) . . ?
C38 Si6 Li2 95.10(13) . . ?
N7 Si7 C43 105.43(10) . . ?
N7 Si7 C44 115.17(11) . . ?
C43 Si7 C44 112.32(11) . . ?
N7 Si7 C45 114.64(11) . . ?
C43 Si7 C45 104.82(11) . . ?
C44 Si7 C45 104.16(13) . . ?
N7 Si7 Li2 51.10(11) . . ?
C43 Si7 Li2 64.77(12) . . ?
C44 Si7 Li2 159.63(13) . . ?
C45 Si7 Li2 95.90(13) . . ?
N8 Si8 C52 107.32(11) . . ?
N8 Si8 C51 117.22(13) . . ?
C52 Si8 C51 106.38(17) . . ?
N8 Si8 C50 116.29(12) . . ?
C52 Si8 C50 105.45(16) . . ?
C51 Si8 C50 103.24(14) . . ?
N8 Si8 Mg4 34.14(7) . . ?
C52 Si8 Mg4 76.48(9) . . ?
C51 Si8 Mg4 113.96(10) . . ?
C50 Si8 Mg4 140.72(10) . . ?
N8 Si8 K1 54.78(7) . . ?
C52 Si8 K1 83.19(11) . . ?
C51 Si8 K1 169.67(12) . . ?
C50 Si8 K1 77.32(10) . . ?
Mg4 Si8 K1 63.801(19) . . ?
C4 N1 Si1 120.32(15) . . ?
C4 N1 Mg1 116.19(14) . . ?
Si1 N1 Mg1 117.25(10) . . ?
C4 N1 K1 106.82(13) . . ?
Si1 N1 K1 96.20(8) . . ?
Mg1 N1 K1 91.74(7) . . ?
C11 N2 Si2 123.63(15) . . ?
C11 N2 Li1 120.7(2) . . ?
Si2 N2 Li1 87.45(15) . . ?
C11 N2 Mg1 114.05(15) . . ?
Si2 N2 Mg1 117.95(10) . . ?
Li1 N2 Mg1 81.66(15) . . ?
C18 N3 Si3 123.24(14) . . ?
C18 N3 Li1 119.6(2) . . ?
Si3 N3 Li1 87.14(15) . . ?
C18 N3 Mg3 114.75(14) . . ?
Si3 N3 Mg3 118.28(10) . . ?
Li1 N3 Mg3 81.71(15) . . ?
C25 N4 Si4 121.04(14) . . ?
C25 N4 Mg3 113.69(13) . . ?
Si4 N4 Mg3 119.38(10) . . ?
C25 N4 K2 105.26(12) . . ?
Si4 N4 K2 97.94(8) . . ?
Mg3 N4 K2 90.87(6) . . ?
C32 N5 Si5 120.76(14) . . ?
C32 N5 Mg2 113.74(14) . . ?
Si5 N5 Mg2 118.68(10) . . ?
C32 N5 K2 107.57(12) . . ?
Si5 N5 K2 96.68(8) . . ?
Mg2 N5 K2 91.74(6) . . ?
C39 N6 Si6 122.49(14) . . ?
C39 N6 Li2 121.32(19) . . ?
Si6 N6 Li2 86.28(14) . . ?
C39 N6 Mg4 114.23(14) . . ?
Si6 N6 Mg4 119.39(9) . . ?
Li2 N6 Mg4 81.69(14) . . ?
C46 N7 Si7 123.59(14) . . ?
C46 N7 Li2 120.72(19) . . ?
Si7 N7 Li2 86.40(14) . . ?
C46 N7 Mg2 114.02(14) . . ?
Si7 N7 Mg2 118.65(10) . . ?
Li2 N7 Mg2 81.39(14) . . ?
C53 N8 Si8 121.73(15) . . ?
C53 N8 Mg4 114.08(14) . . ?
Si8 N8 Mg4 117.84(11) . . ?
C53 N8 K1 107.15(13) . . ?
Si8 N8 K1 97.00(8) . . ?
Mg4 N8 K1 90.67(7) . . ?
Si1 C1 H1A 109.5 . . ?
Si1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Si1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C6 C4 N1 116.3(2) . . ?
C6 C4 C7A 128.5(4) . . ?
N1 C4 C7A 111.4(4) . . ?
C6 C4 C5 109.2(3) . . ?
N1 C4 C5 111.4(2) . . ?
C7A C4 C5 68.3(4) . . ?
C6 C4 C5A 67.5(4) . . ?
N1 C4 C5A 114.0(3) . . ?
C7A C4 C5A 109.4(5) . . ?
C5 C4 C5A 46.3(3) . . ?
C6 C4 C7 108.3(3) . . ?
N1 C4 C7 106.73(19) . . ?
C7A C4 C7 36.9(4) . . ?
C5 C4 C7 104.0(2) . . ?
C5A C4 C7 136.1(4) . . ?
C6 C4 C6A 37.9(4) . . ?
N1 C4 C6A 111.7(4) . . ?
C7A C4 C6A 106.1(5) . . ?
C5 C4 C6A 135.1(4) . . ?
C5A C4 C6A 103.6(5) . . ?
C7 C4 C6A 74.6(4) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
Si2 C8 H8A 109.5 . . ?
Si2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si2 C9 Mg3 129.52(12) . . ?
Si2 C9 Li1 71.14(12) . . ?
Mg3 C9 Li1 68.36(12) . . ?
Si2 C9 K2 147.40(10) . . ?
Mg3 C9 K2 79.16(7) . . ?
Li1 C9 K2 141.29(13) . . ?
Si2 C9 H9B 109.5(15) . . ?
Mg3 C9 H9B 108.1(15) . . ?
Li1 C9 H9B 103.3(15) . . ?
K2 C9 H9B 66.8(15) . . ?
Si2 C9 H9A 101.2(16) . . ?
Mg3 C9 H9A 100.8(16) . . ?
Li1 C9 H9A 152.4(16) . . ?
K2 C9 H9A 52.4(16) . . ?
H9B C9 H9A 104(2) . . ?
Si2 C10 H10A 109.5 . . ?
Si2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C14A C11 N2 119.9(7) . . ?
C14A C11 C13A 114.4(9) . . ?
N2 C11 C13A 110.9(5) . . ?
C14A C11 C13 130.0(7) . . ?
N2 C11 C13 108.9(2) . . ?
C13A C11 C13 29.7(5) . . ?
C14A C11 C12 60.3(7) . . ?
N2 C11 C12 113.8(2) . . ?
C13A C11 C12 129.1(6) . . ?
C13 C11 C12 110.2(3) . . ?
C14A C11 C14 48.5(7) . . ?
N2 C11 C14 109.4(2) . . ?
C13A C11 C14 78.2(6) . . ?
C13 C11 C14 106.4(3) . . ?
C12 C11 C14 107.9(2) . . ?
C14A C11 C12A 102.9(9) . . ?
N2 C11 C12A 106.6(6) . . ?
C13A C11 C12A 99.2(8) . . ?
C13 C11 C12A 71.4(6) . . ?
C12 C11 C12A 45.3(6) . . ?
C14 C11 C12A 142.3(6) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
Si3 C15 Mg1 129.69(12) . . ?
Si3 C15 Li1 71.04(12) . . ?
Mg1 C15 Li1 68.96(12) . . ?
Si3 C15 K1 145.15(10) . . ?
Mg1 C15 K1 79.57(6) . . ?
Li1 C15 K1 143.81(13) . . ?
Si3 C15 H15B 108.2(16) . . ?
Mg1 C15 H15B 109.5(16) . . ?
Li1 C15 H15B 103.0(16) . . ?
K1 C15 H15B 70.6(16) . . ?
Si3 C15 H15A 101.2(14) . . ?
Mg1 C15 H15A 101.2(14) . . ?
Li1 C15 H15A 153.6(15) . . ?
K1 C15 H15A 48.6(14) . . ?
H15B C15 H15A 103(2) . . ?
Si3 C16 H16A 109.5 . . ?
Si3 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si3 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si3 C17 H17A 109.5 . . ?
Si3 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si3 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N3 C18 C21 108.46(18) . . ?
N3 C18 C19 110.3(2) . . ?
C21 C18 C19 107.7(2) . . ?
N3 C18 C20 113.2(2) . . ?
C21 C18 C20 107.9(2) . . ?
C19 C18 C20 109.0(2) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si4 C22 H22A 109.5 . . ?
Si4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si4 C23 H23A 109.5 . . ?
Si4 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si4 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si4 C24 H24A 109.5 . . ?
Si4 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si4 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N4 C25 C26 108.61(17) . . ?
N4 C25 C27 111.49(18) . . ?
C26 C25 C27 107.75(19) . . ?
N4 C25 C28 113.48(18) . . ?
C26 C25 C28 106.73(19) . . ?
C27 C25 C28 108.53(19) . . ?
C25 C26 K2 81.35(12) . . ?
C25 C26 H26A 111.6(15) . . ?
K2 C26 H26A 96.3(15) . . ?
C25 C26 H26C 109.8(14) . . ?
K2 C26 H26C 38.8(14) . . ?
H26A C26 H26C 108(2) . . ?
C25 C26 H26B 112.8(15) . . ?
K2 C26 H26B 143.4(15) . . ?
H26A C26 H26B 108(2) . . ?
H26C C26 H26B 106(2) . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si5 C29 H29A 109.5 . . ?
Si5 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si5 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si5 C30 H30A 109.5 . . ?
Si5 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
Si5 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si5 C31 H31A 109.5 . . ?
Si5 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Si5 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N5 C32 C35 113.8(2) . . ?
N5 C32 C33 108.59(17) . . ?
C35 C32 C33 107.4(2) . . ?
N5 C32 C34 111.63(18) . . ?
C35 C32 C34 108.29(19) . . ?
C33 C32 C34 106.8(2) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C32 C35 H35A 109.5 . . ?
C32 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C32 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si6 C36 Mg2 130.72(12) . . ?
Si6 C36 Li2 71.29(12) . . ?
Mg2 C36 Li2 69.18(11) . . ?
Si6 C36 K2 145.96(10) . . ?
Mg2 C36 K2 79.39(6) . . ?
Li2 C36 K2 142.53(12) . . ?
Si6 C36 H36A 108.9(15) . . ?
Mg2 C36 H36A 107.8(16) . . ?
Li2 C36 H36A 103.2(16) . . ?
K2 C36 H36A 67.0(15) . . ?
Si6 C36 H36B 102.3(15) . . ?
Mg2 C36 H36B 99.0(15) . . ?
Li2 C36 H36B 151.9(15) . . ?
K2 C36 H36B 50.9(15) . . ?
H36A C36 H36B 105(2) . . ?
Si6 C37 H37A 109.5 . . ?
Si6 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
Si6 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si6 C38 H38A 109.5 . . ?
Si6 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Si6 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
N6 C39 C40 108.43(18) . . ?
N6 C39 C42 113.81(19) . . ?
C40 C39 C42 108.4(2) . . ?
N6 C39 C41 110.92(18) . . ?
C40 C39 C41 107.1(2) . . ?
C42 C39 C41 108.0(2) . . ?
C39 C40 Mg4 80.01(13) . . ?
C39 C40 H40A 112.1(15) . . ?
Mg4 C40 H40A 66.7(15) . . ?
C39 C40 H40C 111.0(16) . . ?
Mg4 C40 H40C 67.4(16) . . ?
H40A C40 H40C 108(2) . . ?
C39 C40 H40B 112.4(18) . . ?
Mg4 C40 H40B 167.5(18) . . ?
H40A C40 H40B 107(2) . . ?
H40C C40 H40B 106(2) . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C39 C42 H42A 109.5 . . ?
C39 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C39 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Si7 C43 Mg4 130.29(12) . . ?
Si7 C43 Li2 71.44(12) . . ?
Mg4 C43 Li2 69.27(11) . . ?
Si7 C43 K1 146.74(10) . . ?
Mg4 C43 K1 78.85(7) . . ?
Li2 C43 K1 141.60(13) . . ?
Si7 C43 H43B 109.4(15) . . ?
Mg4 C43 H43B 107.4(15) . . ?
Li2 C43 H43B 101.8(16) . . ?
K1 C43 H43B 67.5(15) . . ?
Si7 C43 H43A 102.0(17) . . ?
Mg4 C43 H43A 97.7(17) . . ?
Li2 C43 H43A 150.7(17) . . ?
K1 C43 H43A 52.2(17) . . ?
H43B C43 H43A 107(2) . . ?
Si7 C44 H44A 109.5 . . ?
Si7 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
Si7 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
Si7 C45 H45A 109.5 . . ?
Si7 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
Si7 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
N7 C46 C49 108.61(18) . . ?
N7 C46 C48 110.82(18) . . ?
C49 C46 C48 107.4(2) . . ?
N7 C46 C47 113.45(19) . . ?
C49 C46 C47 107.8(2) . . ?
C48 C46 C47 108.54(19) . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C46 C49 Mg2 80.13(13) . . ?
C46 C49 H49A 108.8(15) . . ?
Mg2 C49 H49A 68.1(15) . . ?
C46 C49 H49C 112.8(16) . . ?
Mg2 C49 H49C 167.0(16) . . ?
H49A C49 H49C 105(2) . . ?
C46 C49 H49B 110.6(17) . . ?
Mg2 C49 H49B 66.7(16) . . ?
H49A C49 H49B 112(2) . . ?
H49C C49 H49B 108(2) . . ?
Si8 C50 H50A 109.5 . . ?
Si8 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
Si8 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
Si8 C51 H51A 109.5 . . ?
Si8 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
Si8 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
Si8 C52 H52A 109.5 . . ?
Si8 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
Si8 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
N8 C53 C55 113.9(2) . . ?
N8 C53 C54 108.58(18) . . ?
C55 C53 C54 106.2(2) . . ?
N8 C53 C56 112.2(2) . . ?
C55 C53 C56 108.8(2) . . ?
C54 C53 C56 106.7(2) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C53 C56 H56A 109.5 . . ?
C53 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C53 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C59 C58 H58A 109.5 . . ?
C59 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C59 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C60 C59 C58 115.3(5) . . ?
C60 C59 H59A 108.4 . . ?
C58 C59 H59A 108.4 . . ?
C60 C59 H59B 108.4 . . ?
C58 C59 H59B 108.4 . . ?
H59A C59 H59B 107.5 . . ?
C59 C60 C61 119.1(5) . . ?
C59 C60 H60A 107.5 . . ?
C61 C60 H60A 107.5 . . ?
C59 C60 H60B 107.5 . . ?
C61 C60 H60B 107.5 . . ?
H60A C60 H60B 107.0 . . ?
C60 C61 C62 120.6(5) . . ?
C60 C61 H61A 107.2 . . ?
C62 C61 H61A 107.2 . . ?
C60 C61 H61B 107.2 . . ?
C62 C61 H61B 107.2 . . ?
H61A C61 H61B 106.8 . . ?
C63 C62 C61 115.4(5) . . ?
C63 C62 H62A 108.4 . . ?
C61 C62 H62A 108.4 . . ?
C63 C62 H62B 108.4 . . ?
C61 C62 H62B 108.4 . . ?
H62A C62 H62B 107.5 . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C4 C5A H5A1 109.5 . . ?
C4 C5A H5A2 109.5 . . ?
H5A1 C5A H5A2 109.5 . . ?
C4 C5A H5A3 109.5 . . ?
H5A1 C5A H5A3 109.5 . . ?
H5A2 C5A H5A3 109.5 . . ?
C4 C6A H6A1 109.5 . . ?
C4 C6A H6A2 109.5 . . ?
H6A1 C6A H6A2 109.5 . . ?
C4 C6A H6A3 109.5 . . ?
H6A1 C6A H6A3 109.5 . . ?
H6A2 C6A H6A3 109.5 . . ?
C4 C7A H7A1 109.5 . . ?
C4 C7A H7A2 109.5 . . ?
H7A1 C7A H7A2 109.5 . . ?
C4 C7A H7A3 109.5 . . ?
H7A1 C7A H7A3 109.5 . . ?
H7A2 C7A H7A3 109.5 . . ?
C11 C12A H12D 109.5 . . ?
C11 C12A H12E 109.5 . . ?
H12D C12A H12E 109.5 . . ?
C11 C12A H12F 109.5 . . ?
H12D C12A H12F 109.5 . . ?
H12E C12A H12F 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 . . ?
C11 C14A H14D 109.5 . . ?
C11 C14A H14E 109.5 . . ?
H14D C14A H14E 109.5 . . ?
C11 C14A H14F 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14E C14A H14F 109.5 . . ?
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
K1 N1 2.9480(19) . ?
K1 N8 2.9548(19) . ?
K1 C43 3.314(2) . ?
K1 C15 3.315(2) . ?
K1 Si1 3.5602(9) . ?
K1 Si8 3.5900(9) . ?
K1 Mg4 3.6124(9) . ?
K1 Mg1 3.6339(9) . ?
K1 H43B 3.07(3) . ?
K1 H15A 2.77(2) . ?
K1 H43A 2.83(3) . ?
K2 N5 2.9374(19) . ?
K2 N4 2.9453(18) . ?
K2 C9 3.289(2) . ?
K2 C36 3.314(2) . ?
K2 C26 3.536(2) . ?
K2 Si5 3.5669(8) . ?
K2 Mg3 3.6018(9) . ?
K2 Si4 3.6054(8) . ?
K2 Mg2 3.6260(9) . ?
K2 H9B 3.04(2) . ?
K2 H36A 3.07(3) . ?
K2 H9A 2.81(3) . ?
K2 H36B 2.80(2) . ?
K2 H26C 2.82(3) . ?
Mg1 N1 2.037(2) . ?
Mg1 N2 2.072(2) . ?
Mg1 C15 2.204(2) . ?
Mg1 Li1 2.662(5) . ?
Mg1 Si1 3.1980(10) . ?
Mg1 Si2 3.2692(9) . ?
Mg2 N5 2.0385(19) . ?
Mg2 N7 2.0656(19) . ?
Mg2 C36 2.203(2) . ?
Mg2 Li2 2.652(4) . ?
Mg2 C49 2.860(3) . ?
Mg2 Si5 3.2292(10) . ?
Mg3 N4 2.0292(19) . ?
Mg3 N3 2.0623(19) . ?
Mg3 C9 2.211(2) . ?
Mg3 Li1 2.653(5) . ?
Mg3 Si4 3.2337(10) . ?
Mg3 Si3 3.2636(9) . ?
Mg4 N8 2.044(2) . ?
Mg4 N6 2.0598(19) . ?
Mg4 C43 2.214(2) . ?
Mg4 Li2 2.657(4) . ?
Mg4 C40 2.857(3) . ?
Mg4 Si8 3.2200(10) . ?
Li1 N3 1.993(5) . ?
Li1 N2 1.998(5) . ?
Li1 C15 2.480(5) . ?
Li1 C9 2.494(5) . ?
Li1 Si3 2.576(4) . ?
Li1 Si2 2.589(4) . ?
Li2 N7 2.001(4) . ?
Li2 N6 2.003(4) . ?
Li2 C43 2.449(5) . ?
Li2 C36 2.455(5) . ?
Li2 Si6 2.565(4) . ?
Li2 Si7 2.566(4) . ?
Si1 N1 1.7028(19) . ?
Si1 C2 1.871(3) . ?
Si1 C3 1.874(3) . ?
Si1 C1 1.881(3) . ?
Si2 N2 1.737(2) . ?
Si2 C9 1.870(2) . ?
Si2 C10 1.890(2) . ?
Si2 C8 1.891(2) . ?
Si3 N3 1.7346(18) . ?
Si3 C15 1.872(2) . ?
Si3 C17 1.885(2) . ?
Si3 C16 1.893(2) . ?
Si4 N4 1.7119(18) . ?
Si4 C24 1.875(3) . ?
Si4 C22 1.880(3) . ?
Si4 C23 1.892(3) . ?
Si5 N5 1.7104(19) . ?
Si5 C31 1.878(3) . ?
Si5 C29 1.879(3) . ?
Si5 C30 1.901(3) . ?
Si6 N6 1.7378(18) . ?
Si6 C36 1.871(2) . ?
Si6 C37 1.884(2) . ?
Si6 C38 1.889(2) . ?
Si7 N7 1.7374(19) . ?
Si7 C43 1.873(2) . ?
Si7 C44 1.883(2) . ?
Si7 C45 1.888(3) . ?
Si8 N8 1.7103(19) . ?
Si8 C52 1.872(3) . ?
Si8 C51 1.877(3) . ?
Si8 C50 1.888(3) . ?
N1 C4 1.490(3) . ?
N2 C11 1.494(3) . ?
N3 C18 1.499(3) . ?
N4 C25 1.493(3) . ?
N5 C32 1.482(3) . ?
N6 C39 1.492(3) . ?
N7 C46 1.495(3) . ?
N8 C53 1.485(3) . ?
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 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C6 1.490(5) . ?
C4 C7A 1.499(9) . ?
C4 C5 1.560(4) . ?
C4 C5A 1.566(8) . ?
C4 C7 1.565(4) . ?
C4 C6A 1.589(9) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9B 0.94(3) . ?
C9 H9A 0.97(3) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C14A 1.437(16) . ?
C11 C13A 1.505(13) . ?
C11 C13 1.507(4) . ?
C11 C12 1.516(4) . ?
C11 C14 1.572(4) . ?
C11 C12A 1.683(16) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15B 0.99(3) . ?
C15 H15A 0.96(2) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C21 1.530(3) . ?
C18 C19 1.531(4) . ?
C18 C20 1.536(4) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.531(3) . ?
C25 C27 1.534(3) . ?
C25 C28 1.535(3) . ?
C26 H26A 0.95(3) . ?
C26 H26C 1.01(3) . ?
C26 H26B 0.99(3) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C35 1.535(3) . ?
C32 C33 1.538(3) . ?
C32 C34 1.545(3) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.95(3) . ?
C36 H36B 0.98(3) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C40 1.532(3) . ?
C39 C42 1.534(3) . ?
C39 C41 1.537(3) . ?
C40 H40A 1.01(3) . ?
C40 H40C 0.99(3) . ?
C40 H40B 1.00(3) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43B 0.99(3) . ?
C43 H43A 0.95(3) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C49 1.529(3) . ?
C46 C48 1.537(3) . ?
C46 C47 1.540(3) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 1.00(3) . ?
C49 H49C 0.96(3) . ?
C49 H49B 0.94(3) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C55 1.535(3) . ?
C53 C54 1.537(3) . ?
C53 C56 1.539(4) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C58 C59 1.467(7) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 C60 1.425(6) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 C61 1.477(6) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C61 C62 1.511(7) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C63 1.472(8) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C5A H5A1 0.9800 . ?
C5A H5A2 0.9800 . ?
C5A H5A3 0.9800 . ?
C6A H6A1 0.9800 . ?
C6A H6A2 0.9800 . ?
C6A H6A3 0.9800 . ?
C7A H7A1 0.9800 . ?
C7A H7A2 0.9800 . ?
C7A H7A3 0.9800 . ?
C12A H12D 0.9800 . ?
C12A H12E 0.9800 . ?
C12A H12F 0.9800 . ?
C13A H13D 0.9800 . ?
C13A H13E 0.9800 . ?
C13A H13F 0.9800 . ?
C14A H14D 0.9800 . ?
C14A H14E 0.9800 . ?
C14A H14F 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 Si1 N1 C4 -62.8(2) . . . . ?
C3 Si1 N1 C4 178.0(2) . . . . ?
C1 Si1 N1 C4 61.7(2) . . . . ?
Mg1 Si1 N1 C4 -151.2(2) . . . . ?
K1 Si1 N1 C4 113.62(18) . . . . ?
C2 Si1 N1 Mg1 88.35(16) . . . . ?
C3 Si1 N1 Mg1 -30.81(18) . . . . ?
C1 Si1 N1 Mg1 -147.09(13) . . . . ?
K1 Si1 N1 Mg1 -95.18(10) . . . . ?
C2 Si1 N1 K1 -176.47(13) . . . . ?
C3 Si1 N1 K1 64.37(15) . . . . ?
C1 Si1 N1 K1 -51.92(13) . . . . ?
N2 Mg1 N1 C4 44.0(2) . . . . ?
C15 Mg1 N1 C4 -131.04(15) . . . . ?
N2 Mg1 N1 Si1 -108.40(13) . . . . ?
C15 Mg1 N1 Si1 76.57(13) . . . . ?
N2 Mg1 N1 K1 153.71(10) . . . . ?
C15 Mg1 N1 K1 -21.32(9) . . . . ?
N8 K1 N1 C4 -113.1(3) . . . . ?
C43 K1 N1 C4 13.72(15) . . . . ?
C15 K1 N1 C4 131.64(14) . . . . ?
N8 K1 N1 Si1 11.2(4) . . . . ?
C43 K1 N1 Si1 138.01(8) . . . . ?
C15 K1 N1 Si1 -104.07(9) . . . . ?
N8 K1 N1 Mg1 128.9(3) . . . . ?
C43 K1 N1 Mg1 -104.35(7) . . . . ?
C15 K1 N1 Mg1 13.57(6) . . . . ?
C9 Si2 N2 C11 164.05(19) . . . . ?
C10 Si2 N2 C11 50.7(2) . . . . ?
C8 Si2 N2 C11 -70.7(2) . . . . ?
C9 Si2 N2 Li1 38.29(17) . . . . ?
C10 Si2 N2 Li1 -75.09(17) . . . . ?
C8 Si2 N2 Li1 163.52(17) . . . . ?
C9 Si2 N2 Mg1 -40.87(14) . . . . ?
C10 Si2 N2 Mg1 -154.24(11) . . . . ?
C8 Si2 N2 Mg1 84.36(13) . . . . ?
N3 Li1 N2 C11 177(100) . . . . ?
C15 Li1 N2 C11 117.6(2) . . . . ?
C9 Li1 N2 C11 -155.34(18) . . . . ?
N3 Li1 N2 Si2 -55(44) . . . . ?
C15 Li1 N2 Si2 -114.16(16) . . . . ?
C9 Li1 N2 Si2 -27.15(11) . . . . ?
N3 Li1 N2 Mg1 64(44) . . . . ?
C15 Li1 N2 Mg1 4.58(14) . . . . ?
C9 Li1 N2 Mg1 91.59(11) . . . . ?
N1 Mg1 N2 C11 59.4(2) . . . . ?
C15 Mg1 N2 C11 -125.31(16) . . . . ?
N1 Mg1 N2 Si2 -97.97(14) . . . . ?
C15 Mg1 N2 Si2 77.28(13) . . . . ?
N1 Mg1 N2 Li1 179.43(17) . . . . ?
C15 Mg1 N2 Li1 -5.32(16) . . . . ?
C15 Si3 N3 C18 162.61(18) . . . . ?
C17 Si3 N3 C18 -72.7(2) . . . . ?
C16 Si3 N3 C18 47.4(2) . . . . ?
C15 Si3 N3 Li1 38.69(17) . . . . ?
C17 Si3 N3 Li1 163.38(17) . . . . ?
C16 Si3 N3 Li1 -76.56(18) . . . . ?
C15 Si3 N3 Mg3 -40.31(13) . . . . ?
C17 Si3 N3 Mg3 84.38(13) . . . . ?
C16 Si3 N3 Mg3 -155.56(11) . . . . ?
N2 Li1 N3 C18 146(100) . . . . ?
C15 Li1 N3 C18 -154.69(17) . . . . ?
C9 Li1 N3 C18 118.3(2) . . . . ?
N2 Li1 N3 Si3 -87(44) . . . . ?
C15 Li1 N3 Si3 -27.62(11) . . . . ?
C9 Li1 N3 Si3 -114.67(15) . . . . ?
N2 Li1 N3 Mg3 32(44) . . . . ?
C15 Li1 N3 Mg3 91.50(11) . . . . ?
C9 Li1 N3 Mg3 4.45(13) . . . . ?
N4 Mg3 N3 C18 66.02(19) . . . . ?
C9 Mg3 N3 C18 -124.02(16) . . . . ?
N4 Mg3 N3 Si3 -92.96(14) . . . . ?
C9 Mg3 N3 Si3 76.99(12) . . . . ?
N4 Mg3 N3 Li1 -175.17(16) . . . . ?
C9 Mg3 N3 Li1 -5.21(16) . . . . ?
C24 Si4 N4 C25 -53.8(2) . . . . ?
C22 Si4 N4 C25 -174.04(18) . . . . ?
C23 Si4 N4 C25 69.2(2) . . . . ?
C24 Si4 N4 Mg3 97.50(16) . . . . ?
C22 Si4 N4 Mg3 -22.76(16) . . . . ?
C23 Si4 N4 Mg3 -139.53(13) . . . . ?
C24 Si4 N4 K2 -166.99(13) . . . . ?
C22 Si4 N4 K2 72.75(13) . . . . ?
C23 Si4 N4 K2 -44.02(12) . . . . ?
N3 Mg3 N4 C25 42.50(19) . . . . ?
C9 Mg3 N4 C25 -126.93(15) . . . . ?
N3 Mg3 N4 Si4 -110.78(12) . . . . ?
C9 Mg3 N4 Si4 79.79(13) . . . . ?
N3 Mg3 N4 K2 149.60(9) . . . . ?
C9 Mg3 N4 K2 -19.83(9) . . . . ?
N5 K2 N4 C25 -118.6(4) . . . . ?
C9 K2 N4 C25 127.48(13) . . . . ?
C36 K2 N4 C25 7.16(14) . . . . ?
C26 K2 N4 C25 27.35(12) . . . . ?
N5 K2 N4 Si4 6.7(4) . . . . ?
C9 K2 N4 Si4 -107.23(8) . . . . ?
C36 K2 N4 Si4 132.45(7) . . . . ?
C26 K2 N4 Si4 152.64(12) . . . . ?
N5 K2 N4 Mg3 126.5(3) . . . . ?
C9 K2 N4 Mg3 12.61(6) . . . . ?
C36 K2 N4 Mg3 -107.72(7) . . . . ?
C26 K2 N4 Mg3 -87.53(9) . . . . ?
C31 Si5 N5 C32 -54.6(2) . . . . ?
C29 Si5 N5 C32 -175.17(17) . . . . ?
C30 Si5 N5 C32 68.8(2) . . . . ?
C31 Si5 N5 Mg2 94.64(14) . . . . ?
C29 Si5 N5 Mg2 -25.89(15) . . . . ?
C30 Si5 N5 Mg2 -141.97(13) . . . . ?
C31 Si5 N5 K2 -169.68(10) . . . . ?
C29 Si5 N5 K2 69.79(11) . . . . ?
C30 Si5 N5 K2 -46.29(12) . . . . ?
N7 Mg2 N5 C32 42.04(19) . . . . ?
C36 Mg2 N5 C32 -127.60(15) . . . . ?
C49 Mg2 N5 C32 95.03(15) . . . . ?
N7 Mg2 N5 Si5 -109.29(13) . . . . ?
C36 Mg2 N5 Si5 81.06(13) . . . . ?
C49 Mg2 N5 Si5 -56.30(12) . . . . ?
N7 Mg2 N5 K2 152.12(9) . . . . ?
C36 Mg2 N5 K2 -17.53(10) . . . . ?
C49 Mg2 N5 K2 -154.89(7) . . . . ?
N4 K2 N5 C32 -104.8(4) . . . . ?
C9 K2 N5 C32 6.08(14) . . . . ?
C36 K2 N5 C32 126.66(14) . . . . ?
C26 K2 N5 C32 115.26(14) . . . . ?
N4 K2 N5 Si5 20.5(4) . . . . ?
C9 K2 N5 Si5 131.33(7) . . . . ?
C36 K2 N5 Si5 -108.09(8) . . . . ?
C26 K2 N5 Si5 -119.48(10) . . . . ?
N4 K2 N5 Mg2 139.6(3) . . . . ?
C9 K2 N5 Mg2 -109.53(7) . . . . ?
C36 K2 N5 Mg2 11.06(6) . . . . ?
C26 K2 N5 Mg2 -0.34(13) . . . . ?
C36 Si6 N6 C39 162.89(16) . . . . ?
C37 Si6 N6 C39 -72.67(19) . . . . ?
C38 Si6 N6 C39 48.57(19) . . . . ?
C36 Si6 N6 Li2 37.70(16) . . . . ?
C37 Si6 N6 Li2 162.14(16) . . . . ?
C38 Si6 N6 Li2 -76.62(17) . . . . ?
C36 Si6 N6 Mg4 -40.60(13) . . . . ?
C37 Si6 N6 Mg4 83.84(13) . . . . ?
C38 Si6 N6 Mg4 -154.92(11) . . . . ?
N7 Li2 N6 C39 -17(12) . . . . ?
C43 Li2 N6 C39 116.9(2) . . . . ?
C36 Li2 N6 C39 -153.30(17) . . . . ?
Mg4 Li2 N6 C39 113.37(18) . . . . ?
N7 Li2 N6 Si6 110(11) . . . . ?
C43 Li2 N6 Si6 -116.88(15) . . . . ?
C36 Li2 N6 Si6 -27.10(11) . . . . ?
N7 Li2 N6 Mg4 -130(11) . . . . ?
C43 Li2 N6 Mg4 3.55(13) . . . . ?
C36 Li2 N6 Mg4 93.33(11) . . . . ?
N8 Mg4 N6 C39 63.65(18) . . . . ?
C43 Mg4 N6 C39 -124.74(15) . . . . ?
C40 Mg4 N6 C39 -3.05(13) . . . . ?
N8 Mg4 N6 Si6 -94.72(14) . . . . ?
C43 Mg4 N6 Si6 76.89(12) . . . . ?
C40 Mg4 N6 Si6 -161.42(14) . . . . ?
N8 Mg4 N6 Li2 -175.66(16) . . . . ?
C43 Mg4 N6 Li2 -4.05(15) . . . . ?
C40 Mg4 N6 Li2 117.64(15) . . . . ?
C43 Si7 N7 C46 162.66(17) . . . . ?
C44 Si7 N7 C46 -72.9(2) . . . . ?
C45 Si7 N7 C46 47.9(2) . . . . ?
C43 Si7 N7 Li2 37.73(16) . . . . ?
C44 Si7 N7 Li2 162.13(17) . . . . ?
C45 Si7 N7 Li2 -77.01(17) . . . . ?
C43 Si7 N7 Mg2 -40.42(13) . . . . ?
C44 Si7 N7 Mg2 83.98(14) . . . . ?
C45 Si7 N7 Mg2 -155.17(11) . . . . ?
N6 Li2 N7 C46 -21(12) . . . . ?
C43 Li2 N7 C46 -154.70(17) . . . . ?
C36 Li2 N7 C46 115.5(2) . . . . ?
N6 Li2 N7 Si7 106(11) . . . . ?
C43 Li2 N7 Si7 -27.29(11) . . . . ?
C36 Li2 N7 Si7 -117.06(15) . . . . ?
N6 Li2 N7 Mg2 -134(11) . . . . ?
C43 Li2 N7 Mg2 92.41(11) . . . . ?
C36 Li2 N7 Mg2 2.64(13) . . . . ?
N5 Mg2 N7 C46 66.88(18) . . . . ?
C36 Mg2 N7 C46 -122.91(15) . . . . ?
C49 Mg2 N7 C46 -2.44(14) . . . . ?
N5 Mg2 N7 Si7 -92.16(14) . . . . ?
C36 Mg2 N7 Si7 78.04(12) . . . . ?
C49 Mg2 N7 Si7 -161.49(14) . . . . ?
N5 Mg2 N7 Li2 -173.24(16) . . . . ?
C36 Mg2 N7 Li2 -3.04(16) . . . . ?
C49 Mg2 N7 Li2 117.44(16) . . . . ?
C52 Si8 N8 C53 -176.7(2) . . . . ?
C51 Si8 N8 C53 -57.2(2) . . . . ?
C50 Si8 N8 C53 65.6(2) . . . . ?
C52 Si8 N8 Mg4 -26.34(17) . . . . ?
C51 Si8 N8 Mg4 93.17(17) . . . . ?
C50 Si8 N8 Mg4 -144.07(14) . . . . ?
C52 Si8 N8 K1 68.15(14) . . . . ?
C51 Si8 N8 K1 -172.35(13) . . . . ?
C50 Si8 N8 K1 -49.58(14) . . . . ?
N6 Mg4 N8 C53 41.2(2) . . . . ?
C43 Mg4 N8 C53 -129.94(15) . . . . ?
C40 Mg4 N8 C53 92.54(15) . . . . ?
N6 Mg4 N8 Si8 -111.39(13) . . . . ?
C43 Mg4 N8 Si8 77.50(13) . . . . ?
C40 Mg4 N8 Si8 -60.01(12) . . . . ?
N6 Mg4 N8 K1 150.32(9) . . . . ?
C43 Mg4 N8 K1 -20.78(10) . . . . ?
C40 Mg4 N8 K1 -158.29(7) . . . . ?
N1 K1 N8 C53 -101.1(3) . . . . ?
C43 K1 N8 C53 128.61(14) . . . . ?
C15 K1 N8 C53 10.15(15) . . . . ?
N1 K1 N8 Si8 25.2(4) . . . . ?
C43 K1 N8 Si8 -105.06(9) . . . . ?
C15 K1 N8 Si8 136.48(8) . . . . ?
N1 K1 N8 Mg4 143.4(3) . . . . ?
C43 K1 N8 Mg4 13.10(6) . . . . ?
C15 K1 N8 Mg4 -105.36(7) . . . . ?
Si1 N1 C4 C6 -39.7(3) . . . . ?
Mg1 N1 C4 C6 168.8(2) . . . . ?
K1 N1 C4 C6 68.2(3) . . . . ?
Si1 N1 C4 C7A 160.5(4) . . . . ?
Mg1 N1 C4 C7A 9.0(4) . . . . ?
K1 N1 C4 C7A -91.6(4) . . . . ?
Si1 N1 C4 C5 86.3(2) . . . . ?
Mg1 N1 C4 C5 -65.1(2) . . . . ?
K1 N1 C4 C5 -165.75(19) . . . . ?
Si1 N1 C4 C5A 36.0(4) . . . . ?
Mg1 N1 C4 C5A -115.5(4) . . . . ?
K1 N1 C4 C5A 143.9(4) . . . . ?
Si1 N1 C4 C7 -160.70(19) . . . . ?
Mg1 N1 C4 C7 47.8(2) . . . . ?
K1 N1 C4 C7 -52.8(2) . . . . ?
Si1 N1 C4 C6A -81.0(4) . . . . ?
Mg1 N1 C4 C6A 127.5(4) . . . . ?
K1 N1 C4 C6A 26.9(4) . . . . ?
N2 Si2 C9 Mg3 -69.71(17) . . . . ?
C10 Si2 C9 Mg3 50.57(17) . . . . ?
C8 Si2 C9 Mg3 163.29(14) . . . . ?
N2 Si2 C9 Li1 -31.61(14) . . . . ?
C10 Si2 C9 Li1 88.68(14) . . . . ?
C8 Si2 C9 Li1 -158.60(14) . . . . ?
N2 Si2 C9 K2 143.42(19) . . . . ?
C10 Si2 C9 K2 -96.3(2) . . . . ?
C8 Si2 C9 K2 16.4(2) . . . . ?
N4 Mg3 C9 Si2 -144.54(13) . . . . ?
N3 Mg3 C9 Si2 43.35(17) . . . . ?
N4 Mg3 C9 Li1 176.54(13) . . . . ?
N3 Mg3 C9 Li1 4.43(13) . . . . ?
N4 Mg3 C9 K2 18.01(8) . . . . ?
N3 Mg3 C9 K2 -154.10(6) . . . . ?
N3 Li1 C9 Si2 -153.6(2) . . . . ?
N2 Li1 C9 Si2 26.58(11) . . . . ?
C15 Li1 C9 Si2 127.78(15) . . . . ?
N3 Li1 C9 Mg3 -4.42(13) . . . . ?
N2 Li1 C9 Mg3 175.78(17) . . . . ?
C15 Li1 C9 Mg3 -83.03(12) . . . . ?
N3 Li1 C9 K2 30.7(3) . . . . ?
N2 Li1 C9 K2 -149.14(17) . . . . ?
C15 Li1 C9 K2 -47.9(3) . . . . ?
N5 K2 C9 Si2 -28.9(2) . . . . ?
N4 K2 C9 Si2 142.8(2) . . . . ?
C36 K2 C9 Si2 -109.8(2) . . . . ?
C26 K2 C9 Si2 -174.2(2) . . . . ?
N5 K2 C9 Mg3 176.53(6) . . . . ?
N4 K2 C9 Mg3 -11.77(6) . . . . ?
C36 K2 C9 Mg3 95.60(8) . . . . ?
C26 K2 C9 Mg3 31.23(7) . . . . ?
N5 K2 C9 Li1 143.6(2) . . . . ?
N4 K2 C9 Li1 -44.7(2) . . . . ?
C36 K2 C9 Li1 62.6(2) . . . . ?
C26 K2 C9 Li1 -1.7(2) . . . . ?
Si2 N2 C11 C14A -28.0(9) . . . . ?
Li1 N2 C11 C14A 81.5(8) . . . . ?
Mg1 N2 C11 C14A 176.1(8) . . . . ?
Si2 N2 C11 C13A -164.8(6) . . . . ?
Li1 N2 C11 C13A -55.4(7) . . . . ?
Mg1 N2 C11 C13A 39.2(7) . . . . ?
Si2 N2 C11 C13 163.7(2) . . . . ?
Li1 N2 C11 C13 -86.9(3) . . . . ?
Mg1 N2 C11 C13 7.7(3) . . . . ?
Si2 N2 C11 C12 40.3(3) . . . . ?
Li1 N2 C11 C12 149.7(3) . . . . ?
Mg1 N2 C11 C12 -115.7(2) . . . . ?
Si2 N2 C11 C14 -80.5(3) . . . . ?
Li1 N2 C11 C14 29.0(3) . . . . ?
Mg1 N2 C11 C14 123.6(2) . . . . ?
Si2 N2 C11 C12A 88.1(6) . . . . ?
Li1 N2 C11 C12A -162.4(6) . . . . ?
Mg1 N2 C11 C12A -67.8(6) . . . . ?
N3 Si3 C15 Mg1 -70.94(16) . . . . ?
C17 Si3 C15 Mg1 162.20(14) . . . . ?
C16 Si3 C15 Mg1 50.37(17) . . . . ?
N3 Si3 C15 Li1 -32.05(14) . . . . ?
C17 Si3 C15 Li1 -158.91(14) . . . . ?
C16 Si3 C15 Li1 89.26(15) . . . . ?
N3 Si3 C15 K1 147.77(17) . . . . ?
C17 Si3 C15 K1 20.9(2) . . . . ?
C16 Si3 C15 K1 -90.92(19) . . . . ?
N1 Mg1 C15 Si3 -139.51(13) . . . . ?
N2 Mg1 C15 Si3 44.06(17) . . . . ?
N1 Mg1 C15 Li1 -179.02(14) . . . . ?
N2 Mg1 C15 Li1 4.55(14) . . . . ?
N1 Mg1 C15 K1 19.18(9) . . . . ?
N2 Mg1 C15 K1 -157.25(6) . . . . ?
N3 Li1 C15 Si3 26.98(11) . . . . ?
N2 Li1 C15 Si3 -153.4(2) . . . . ?
C9 Li1 C15 Si3 128.21(15) . . . . ?
N3 Li1 C15 Mg1 175.81(18) . . . . ?
N2 Li1 C15 Mg1 -4.56(14) . . . . ?
C9 Li1 C15 Mg1 -82.96(12) . . . . ?
N3 Li1 C15 K1 -152.84(17) . . . . ?
N2 Li1 C15 K1 26.8(3) . . . . ?
C9 Li1 C15 K1 -51.6(3) . . . . ?
N1 K1 C15 Si3 138.0(2) . . . . ?
N8 K1 C15 Si3 -31.6(2) . . . . ?
C43 K1 C15 Si3 -113.33(18) . . . . ?
N1 K1 C15 Mg1 -12.74(6) . . . . ?
N8 K1 C15 Mg1 177.66(6) . . . . ?
C43 K1 C15 Mg1 95.97(8) . . . . ?
N1 K1 C15 Li1 -42.3(2) . . . . ?
N8 K1 C15 Li1 148.1(2) . . . . ?
C43 K1 C15 Li1 66.4(2) . . . . ?
Si3 N3 C18 C21 162.40(17) . . . . ?
Li1 N3 C18 C21 -89.9(3) . . . . ?
Mg3 N3 C18 C21 4.6(2) . . . . ?
Si3 N3 C18 C19 -79.9(2) . . . . ?
Li1 N3 C18 C19 27.7(3) . . . . ?
Mg3 N3 C18 C19 122.28(19) . . . . ?
Si3 N3 C18 C20 42.6(3) . . . . ?
Li1 N3 C18 C20 150.3(2) . . . . ?
Mg3 N3 C18 C20 -115.21(19) . . . . ?
Si4 N4 C25 C26 -159.56(16) . . . . ?
Mg3 N4 C25 C26 47.7(2) . . . . ?
K2 N4 C25 C26 -50.21(19) . . . . ?
Si4 N4 C25 C27 81.9(2) . . . . ?
Mg3 N4 C25 C27 -70.9(2) . . . . ?
K2 N4 C25 C27 -168.78(15) . . . . ?
Si4 N4 C25 C28 -41.0(2) . . . . ?
Mg3 N4 C25 C28 166.17(16) . . . . ?
K2 N4 C25 C28 68.31(19) . . . . ?
N4 C25 C26 K2 38.65(15) . . . . ?
C27 C25 C26 K2 159.56(16) . . . . ?
C28 C25 C26 K2 -84.05(15) . . . . ?
N5 K2 C26 C25 146.25(12) . . . . ?
N4 K2 C26 C25 -25.92(11) . . . . ?
C9 K2 C26 C25 -95.01(13) . . . . ?
C36 K2 C26 C25 135.13(14) . . . . ?
Si5 N5 C32 C35 -39.8(3) . . . . ?
Mg2 N5 C32 C35 169.55(16) . . . . ?
K2 N5 C32 C35 69.5(2) . . . . ?
Si5 N5 C32 C33 -159.28(16) . . . . ?
Mg2 N5 C32 C33 50.0(2) . . . . ?
K2 N5 C32 C33 -49.99(19) . . . . ?
Si5 N5 C32 C34 83.2(2) . . . . ?
Mg2 N5 C32 C34 -67.5(2) . . . . ?
K2 N5 C32 C34 -167.52(15) . . . . ?
N6 Si6 C36 Mg2 -69.85(17) . . . . ?
C37 Si6 C36 Mg2 164.20(14) . . . . ?
C38 Si6 C36 Mg2 50.72(18) . . . . ?
N6 Si6 C36 Li2 -31.71(13) . . . . ?
C37 Si6 C36 Li2 -157.67(14) . . . . ?
C38 Si6 C36 Li2 88.86(14) . . . . ?
N6 Si6 C36 K2 142.99(17) . . . . ?
C37 Si6 C36 K2 17.0(2) . . . . ?
C38 Si6 C36 K2 -96.4(2) . . . . ?
N5 Mg2 C36 Si6 -146.27(14) . . . . ?
N7 Mg2 C36 Si6 41.36(17) . . . . ?
C49 Mg2 C36 Si6 -20.7(2) . . . . ?
N5 Mg2 C36 Li2 175.00(13) . . . . ?
N7 Mg2 C36 Li2 2.62(13) . . . . ?
C49 Mg2 C36 Li2 -59.43(15) . . . . ?
N5 Mg2 C36 K2 15.75(9) . . . . ?
N7 Mg2 C36 K2 -156.63(6) . . . . ?
C49 Mg2 C36 K2 141.32(8) . . . . ?
N7 Li2 C36 Si6 -152.58(19) . . . . ?
N6 Li2 C36 Si6 26.48(11) . . . . ?
C43 Li2 C36 Si6 127.52(14) . . . . ?
N7 Li2 C36 Mg2 -2.62(13) . . . . ?
N6 Li2 C36 Mg2 176.43(17) . . . . ?
C43 Li2 C36 Mg2 -82.53(12) . . . . ?
N7 Li2 C36 K2 32.3(3) . . . . ?
N6 Li2 C36 K2 -148.65(17) . . . . ?
C43 Li2 C36 K2 -47.6(2) . . . . ?
N5 K2 C36 Si6 144.9(2) . . . . ?
N4 K2 C36 Si6 -27.9(2) . . . . ?
C9 K2 C36 Si6 -110.47(19) . . . . ?
C26 K2 C36 Si6 -42.17(19) . . . . ?
N5 K2 C36 Mg2 -10.40(6) . . . . ?
N4 K2 C36 Mg2 176.81(6) . . . . ?
C9 K2 C36 Mg2 94.24(8) . . . . ?
C26 K2 C36 Mg2 162.55(8) . . . . ?
N5 K2 C36 Li2 -43.4(2) . . . . ?
N4 K2 C36 Li2 143.8(2) . . . . ?
C9 K2 C36 Li2 61.3(2) . . . . ?
C26 K2 C36 Li2 129.6(2) . . . . ?
Si6 N6 C39 C40 162.66(16) . . . . ?
Li2 N6 C39 C40 -90.0(2) . . . . ?
Mg4 N6 C39 C40 5.0(2) . . . . ?
Si6 N6 C39 C42 42.0(3) . . . . ?
Li2 N6 C39 C42 149.3(2) . . . . ?
Mg4 N6 C39 C42 -115.61(19) . . . . ?
Si6 N6 C39 C41 -80.0(2) . . . . ?
Li2 N6 C39 C41 27.3(3) . . . . ?
Mg4 N6 C39 C41 122.35(17) . . . . ?
N6 C39 C40 Mg4 -3.37(15) . . . . ?
C42 C39 C40 Mg4 120.62(17) . . . . ?
C41 C39 C40 Mg4 -123.11(16) . . . . ?
N8 Mg4 C40 C39 -136.94(14) . . . . ?
N6 Mg4 C40 C39 2.75(12) . . . . ?
C43 Mg4 C40 C39 91.53(16) . . . . ?
N7 Si7 C43 Mg4 -71.05(17) . . . . ?
C44 Si7 C43 Mg4 162.78(15) . . . . ?
C45 Si7 C43 Mg4 50.31(18) . . . . ?
N7 Si7 C43 Li2 -31.77(13) . . . . ?
C44 Si7 C43 Li2 -157.94(14) . . . . ?
C45 Si7 C43 Li2 89.59(14) . . . . ?
N7 Si7 C43 K1 142.80(18) . . . . ?
C44 Si7 C43 K1 16.6(2) . . . . ?
C45 Si7 C43 K1 -95.8(2) . . . . ?
N8 Mg4 C43 Si7 -143.05(14) . . . . ?
N6 Mg4 C43 Si7 43.42(18) . . . . ?
C40 Mg4 C43 Si7 -18.3(2) . . . . ?
N8 Mg4 C43 Li2 177.02(13) . . . . ?
N6 Mg4 C43 Li2 3.50(13) . . . . ?
C40 Mg4 C43 Li2 -58.27(15) . . . . ?
N8 Mg4 C43 K1 18.81(9) . . . . ?
N6 Mg4 C43 K1 -154.72(6) . . . . ?
C40 Mg4 C43 K1 143.51(8) . . . . ?
N7 Li2 C43 Si7 26.60(11) . . . . ?
N6 Li2 C43 Si7 -152.41(19) . . . . ?
C36 Li2 C43 Si7 127.68(14) . . . . ?
N7 Li2 C43 Mg4 175.51(16) . . . . ?
N6 Li2 C43 Mg4 -3.50(13) . . . . ?
C36 Li2 C43 Mg4 -83.41(12) . . . . ?
N7 Li2 C43 K1 -148.61(16) . . . . ?
N6 Li2 C43 K1 32.4(3) . . . . ?
C36 Li2 C43 K1 -47.5(2) . . . . ?
N1 K1 C43 Si7 -29.1(2) . . . . ?
N8 K1 C43 Si7 142.0(2) . . . . ?
C15 K1 C43 Si7 -110.7(2) . . . . ?
N1 K1 C43 Mg4 176.56(6) . . . . ?
N8 K1 C43 Mg4 -12.31(6) . . . . ?
C15 K1 C43 Mg4 94.96(8) . . . . ?
N1 K1 C43 Li2 142.6(2) . . . . ?
N8 K1 C43 Li2 -46.3(2) . . . . ?
C15 K1 C43 Li2 61.0(2) . . . . ?
Si7 N7 C46 C49 161.92(16) . . . . ?
Li2 N7 C46 C49 -90.2(2) . . . . ?
Mg2 N7 C46 C49 4.0(2) . . . . ?
Si7 N7 C46 C48 -80.4(2) . . . . ?
Li2 N7 C46 C48 27.5(3) . . . . ?
Mg2 N7 C46 C48 121.77(17) . . . . ?
Si7 N7 C46 C47 42.0(3) . . . . ?
Li2 N7 C46 C47 149.9(2) . . . . ?
Mg2 N7 C46 C47 -115.83(18) . . . . ?
N7 C46 C49 Mg2 -2.71(15) . . . . ?
C48 C46 C49 Mg2 -122.60(16) . . . . ?
C47 C46 C49 Mg2 120.62(16) . . . . ?
N5 Mg2 C49 C46 -135.94(14) . . . . ?
N7 Mg2 C49 C46 2.21(12) . . . . ?
C36 Mg2 C49 C46 92.14(16) . . . . ?
Si8 N8 C53 C55 -42.2(3) . . . . ?
Mg4 N8 C53 C55 166.46(18) . . . . ?
K1 N8 C53 C55 67.8(2) . . . . ?
Si8 N8 C53 C54 -160.30(17) . . . . ?
Mg4 N8 C53 C54 48.3(2) . . . . ?
K1 N8 C53 C54 -50.4(2) . . . . ?
Si8 N8 C53 C56 81.9(2) . . . . ?
Mg4 N8 C53 C56 -69.4(2) . . . . ?
K1 N8 C53 C56 -168.12(16) . . . . ?
C58 C59 C60 C61 -179.4(5) . . . . ?
C59 C60 C61 C62 -179.9(5) . . . . ?
C60 C61 C62 C63 -175.2(5) . . . . ?
