#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:44:41 +0100 (vie 25 de mar de 2016) $
#$Revision: 179861 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/57/7015769.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_7015769
loop_
_publ_author_name
'García-Álvarez, Pablo'
'Kennedy, Alan R.'
'O'Hara, Charles T'
'Reilly, Kieran'
'Robertson, Gemma M.'
_publ_section_title
;
 Synthesis and structural chemistry of alkali metal tris(HMDS)
 magnesiates containing chiral diamine donor ligands.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5332
_journal_page_last               5341
_journal_paper_doi               10.1039/c1dt10058k
_journal_volume                  40
_journal_year                    2011
_chemical_absolute_configuration ad
_chemical_formula_sum            'C28 H76 K Mg N5 Si6'
_chemical_formula_weight         714.89
_chemical_name_systematic
;
?
;
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.209(2)
_cell_angle_beta                 90.700(2)
_cell_angle_gamma                92.796(2)
_cell_formula_units_Z            2
_cell_length_a                   11.7004(3)
_cell_length_b                   12.1366(3)
_cell_length_c                   16.3796(5)
_cell_measurement_reflns_used    13424
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      31.2649
_cell_measurement_theta_min      2.7306
_cell_volume                     2261.07(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.893
_diffrn_measurement_device_type  'Oxford Diffraction Gemini S'
_diffrn_measurement_method       'omega 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  0.0205
_diffrn_reflns_av_sigmaI/netI    0.0596
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            27798
_diffrn_reflns_theta_full        29.00
_diffrn_reflns_theta_max         31.34
_diffrn_reflns_theta_min         2.74
_exptl_absorpt_coefficient_mu    0.313
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.99010
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.050
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             788
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.345
_refine_diff_density_min         -0.303
_refine_diff_density_rms         0.044
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.01(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.889
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     795
_refine_ls_number_reflns         20958
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.888
_refine_ls_R_factor_all          0.0510
_refine_ls_R_factor_gt           0.0346
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0326P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0671
_refine_ls_wR_factor_ref         0.0699
_reflns_number_gt                15659
_reflns_number_total             20958
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c1dt10058k.txt
_cod_data_source_block           pgaki13
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'TRICLINIC' changed to 'triclinic'
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 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      P1
_cod_database_code               7015769
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
K1 K 0.61394(4) 0.61676(5) 0.00117(3) 0.02845(13) Uani 1 1 d . . .
K2 K 0.98859(5) 0.69774(5) 0.40641(4) 0.03290(14) Uani 1 1 d . . .
Mg1 Mg 1.07932(6) 0.26882(6) 0.00122(5) 0.01778(16) Uani 1 1 d . . .
Mg2 Mg 0.52635(6) 1.02932(6) 0.40911(5) 0.01851(17) Uani 1 1 d . . .
Si1 Si 0.91504(6) 0.40034(6) 0.14182(4) 0.02620(16) Uani 1 1 d . . .
Si2 Si 1.03458(6) 0.53415(5) 0.03314(4) 0.02329(15) Uani 1 1 d . . .
Si3 Si 0.86061(6) 0.13560(6) -0.10406(5) 0.03118(17) Uani 1 1 d . . .
Si4 Si 1.01483(6) 0.00418(6) -0.01988(4) 0.02464(15) Uani 1 1 d . . .
Si5 Si 1.29760(5) 0.23238(6) -0.11479(4) 0.02231(15) Uani 1 1 d . . .
Si6 Si 1.33983(5) 0.31458(5) 0.07099(4) 0.02111(14) Uani 1 1 d . . .
Si7 Si 0.69139(6) 0.90619(6) 0.26593(4) 0.02749(17) Uani 1 1 d . . .
Si8 Si 0.55692(6) 0.76054(6) 0.35716(5) 0.03110(18) Uani 1 1 d . . .
Si9 Si 0.74060(6) 1.15304(6) 0.52397(5) 0.03547(19) Uani 1 1 d . . .
Si10 Si 0.59720(6) 1.29360(6) 0.44014(5) 0.03079(17) Uani 1 1 d . . .
Si11 Si 0.31020(6) 1.06642(6) 0.52507(4) 0.02827(17) Uani 1 1 d . . .
Si12 Si 0.26624(6) 0.99211(6) 0.33981(5) 0.02853(17) Uani 1 1 d . . .
N1 N 1.00577(16) 0.41073(16) 0.06353(12) 0.0209(4) Uani 1 1 d . . .
N2 N 0.97849(16) 0.12724(16) -0.04452(12) 0.0215(4) Uani 1 1 d . . .
N3 N 1.25151(15) 0.27461(16) -0.01508(12) 0.0184(4) Uani 1 1 d . . .
N4 N 0.62085(15) 0.63462(15) -0.16170(11) 0.0266(4) Uani 1 1 d . . .
N5 N 0.46686(14) 0.77060(15) -0.04928(11) 0.0213(4) Uani 1 1 d . . .
N6 N 0.59702(16) 0.88919(16) 0.34031(12) 0.0207(4) Uani 1 1 d . . .
N7 N 0.62754(17) 1.16833(16) 0.46167(12) 0.0247(5) Uani 1 1 d . . .
N8 N 0.35638(16) 1.02537(17) 0.42492(12) 0.0215(4) Uani 1 1 d . . .
N9 N 0.91783(15) 0.67975(15) 0.56361(11) 0.0276(4) Uani 1 1 d . . .
N10 N 1.11139(15) 0.55945(15) 0.48428(11) 0.0242(4) Uani 1 1 d . . .
C1 C 0.9427(2) 0.5171(2) 0.23941(15) 0.0299(6) Uani 1 1 d . . .
H1A H 0.9244 0.5899 0.2275 0.045 Uiso 1 1 calc R . .
H1B H 1.0235 0.5200 0.2567 0.045 Uiso 1 1 calc R . .
H1C H 0.8946 0.5020 0.2846 0.045 Uiso 1 1 calc R . .
C2 C 0.7593(2) 0.4130(3) 0.1163(2) 0.0548(9) Uani 1 1 d . . .
H2A H 0.7360 0.3552 0.0658 0.082 Uiso 1 1 calc R . .
H2B H 0.7482 0.4884 0.1063 0.082 Uiso 1 1 calc R . .
H2C H 0.7127 0.4021 0.1634 0.082 Uiso 1 1 calc R . .
C3 C 0.9282(3) 0.2651(2) 0.17558(18) 0.0434(8) Uani 1 1 d . . .
H3A H 1.0084 0.2568 0.1898 0.065 Uiso 1 1 calc R . .
H3B H 0.9017 0.2015 0.1299 0.065 Uiso 1 1 calc R . .
H3C H 0.8813 0.2659 0.2249 0.065 Uiso 1 1 calc R . .
C4 C 1.1175(2) 0.6483(2) 0.11164(17) 0.0415(7) Uani 1 1 d . . .
H4A H 1.1872 0.6178 0.1294 0.062 Uiso 1 1 calc R . .
H4B H 1.0703 0.6750 0.1605 0.062 Uiso 1 1 calc R . .
H4C H 1.1383 0.7117 0.0859 0.062 Uiso 1 1 calc R . .
C5 C 0.9005(2) 0.6026(2) 0.00873(17) 0.0406(6) Uani 1 1 d . . .
H5A H 0.8620 0.6343 0.0610 0.061 Uiso 1 1 calc R . .
H5B H 0.8490 0.5456 -0.0278 0.061 Uiso 1 1 calc R . .
H5C H 0.9210 0.6633 -0.0197 0.061 Uiso 1 1 calc R . .
C6 C 1.1188(2) 0.5092(2) -0.06464(15) 0.0289(6) Uani 1 1 d . . .
H6A H 1.0803 0.4484 -0.1073 0.043 Uiso 1 1 calc R . .
H6B H 1.1956 0.4873 -0.0526 0.043 Uiso 1 1 calc R . .
H6C H 1.1248 0.5788 -0.0854 0.043 Uiso 1 1 calc R . .
C7 C 0.8541(2) 0.2786(2) -0.12802(19) 0.0400(7) Uani 1 1 d . . .
H7A H 0.9220 0.2937 -0.1590 0.060 Uiso 1 1 calc R . .
H7B H 0.8518 0.3365 -0.0755 0.060 Uiso 1 1 calc R . .
H7C H 0.7852 0.2807 -0.1621 0.060 Uiso 1 1 calc R . .
C8 C 0.8518(3) 0.0333(3) -0.2095(2) 0.0586(9) Uani 1 1 d . . .
H8A H 0.8437 -0.0444 -0.2018 0.088 Uiso 1 1 calc R . .
H8B H 0.9217 0.0424 -0.2402 0.088 Uiso 1 1 calc R . .
H8C H 0.7853 0.0486 -0.2414 0.088 Uiso 1 1 calc R . .
C9 C 0.7218(2) 0.1092(4) -0.0516(2) 0.0725(12) Uani 1 1 d . . .
H9A H 0.7199 0.1614 0.0036 0.109 Uiso 1 1 calc R . .
H9B H 0.7166 0.0309 -0.0449 0.109 Uiso 1 1 calc R . .
H9C H 0.6570 0.1215 -0.0864 0.109 Uiso 1 1 calc R . .
C10 C 0.9014(3) -0.0618(2) 0.03765(19) 0.0454(7) Uani 1 1 d . . .
H10A H 0.8353 -0.0893 -0.0001 0.068 Uiso 1 1 calc R . .
H10B H 0.8774 -0.0050 0.0862 0.068 Uiso 1 1 calc R . .
H10C H 0.9325 -0.1253 0.0567 0.068 Uiso 1 1 calc R . .
C11 C 1.1450(2) 0.0273(2) 0.05093(18) 0.0393(7) Uani 1 1 d . . .
H11A H 1.1281 0.0784 0.1045 0.059 Uiso 1 1 calc R . .
H11B H 1.2081 0.0611 0.0244 0.059 Uiso 1 1 calc R . .
H11C H 1.1670 -0.0455 0.0609 0.059 Uiso 1 1 calc R . .
C12 C 1.0486(2) -0.1129(2) -0.11294(18) 0.0387(7) Uani 1 1 d . . .
H12A H 1.1023 -0.0830 -0.1490 0.058 Uiso 1 1 calc R . .
H12B H 0.9778 -0.1420 -0.1449 0.058 Uiso 1 1 calc R . .
H12C H 1.0830 -0.1743 -0.0931 0.058 Uiso 1 1 calc R . .
C13 C 1.3920(3) 0.3402(3) -0.1517(2) 0.0627(10) Uani 1 1 d . . .
H13A H 1.4648 0.3519 -0.1200 0.094 Uiso 1 1 calc R . .
H13B H 1.3539 0.4120 -0.1428 0.094 Uiso 1 1 calc R . .
H13C H 1.4063 0.3129 -0.2116 0.094 Uiso 1 1 calc R . .
C14 C 1.1751(2) 0.1985(3) -0.19269(16) 0.0401(7) Uani 1 1 d . . .
H14A H 1.1297 0.2653 -0.1879 0.060 Uiso 1 1 calc R . .
H14B H 1.1268 0.1356 -0.1814 0.060 Uiso 1 1 calc R . .
H14C H 1.2048 0.1768 -0.2495 0.060 Uiso 1 1 calc R . .
C15 C 1.3803(3) 0.1014(3) -0.13350(19) 0.0634(11) Uani 1 1 d . . .
H15A H 1.3417 0.0454 -0.1073 0.095 Uiso 1 1 calc R . .
H15B H 1.4577 0.1202 -0.1091 0.095 Uiso 1 1 calc R . .
H15C H 1.3850 0.0700 -0.1940 0.095 Uiso 1 1 calc R . .
C16 C 1.4388(2) 0.4398(2) 0.06611(18) 0.0384(7) Uani 1 1 d . . .
H16A H 1.4873 0.4603 0.1171 0.058 Uiso 1 1 calc R . .
H16B H 1.3936 0.5042 0.0617 0.058 Uiso 1 1 calc R . .
H16C H 1.4871 0.4202 0.0170 0.058 Uiso 1 1 calc R . .
C17 C 1.4390(2) 0.2048(2) 0.09016(17) 0.0343(6) Uani 1 1 d . . .
H17A H 1.4898 0.1845 0.0426 0.052 Uiso 1 1 calc R . .
H17B H 1.3938 0.1372 0.0964 0.052 Uiso 1 1 calc R . .
H17C H 1.4848 0.2357 0.1415 0.052 Uiso 1 1 calc R . .
C18 C 1.2584(2) 0.3569(2) 0.17040(16) 0.0367(7) Uani 1 1 d . . .
H18A H 1.2147 0.2906 0.1806 0.055 Uiso 1 1 calc R . .
H18B H 1.2059 0.4154 0.1651 0.055 Uiso 1 1 calc R . .
H18C H 1.3123 0.3867 0.2175 0.055 Uiso 1 1 calc R . .
C19 C 0.6599(2) 0.5265(2) -0.21023(17) 0.0375(7) Uani 1 1 d . . .
H19A H 0.7259 0.5046 -0.1813 0.056 Uiso 1 1 calc R . .
H19B H 0.6821 0.5348 -0.2661 0.056 Uiso 1 1 calc R . .
H19C H 0.5979 0.4679 -0.2157 0.056 Uiso 1 1 calc R . .
C20 C 0.71170(18) 0.72399(19) -0.15402(15) 0.0312(5) Uani 1 1 d . . .
H20A H 0.7245 0.7408 -0.2090 0.047 Uiso 1 1 calc R . .
H20B H 0.7824 0.6985 -0.1334 0.047 Uiso 1 1 calc R . .
H20C H 0.6889 0.7924 -0.1145 0.047 Uiso 1 1 calc R . .
C21 C 0.51131(17) 0.66351(19) -0.19534(13) 0.0257(5) Uani 1 1 d . . .
H21 H 0.4549 0.5989 -0.1953 0.031 Uiso 1 1 calc R . .
C22 C 0.51605(19) 0.6781(2) -0.28594(14) 0.0383(6) Uani 1 1 d . . .
H22A H 0.5683 0.7441 -0.2879 0.046 Uiso 1 1 calc R . .
H22B H 0.5475 0.6100 -0.3220 0.046 Uiso 1 1 calc R . .
C23 C 0.3988(2) 0.6957(3) -0.32000(15) 0.0488(7) Uani 1 1 d . . .
H23A H 0.3483 0.6270 -0.3231 0.059 Uiso 1 1 calc R . .
H23B H 0.4059 0.7081 -0.3774 0.059 Uiso 1 1 calc R . .
C24 C 0.3458(2) 0.7972(3) -0.26410(16) 0.0494(7) Uani 1 1 d . . .
H24A H 0.2672 0.8041 -0.2848 0.059 Uiso 1 1 calc R . .
H24B H 0.3915 0.8673 -0.2661 0.059 Uiso 1 1 calc R . .
C25 C 0.34209(18) 0.7833(2) -0.17372(14) 0.0363(6) Uani 1 1 d . . .
H25A H 0.2922 0.7158 -0.1714 0.044 Uiso 1 1 calc R . .
H25B H 0.3088 0.8504 -0.1378 0.044 Uiso 1 1 calc R . .
C26 C 0.46306(17) 0.76954(18) -0.13970(13) 0.0237(4) Uani 1 1 d . . .
H26 H 0.5123 0.8360 -0.1472 0.028 Uiso 1 1 calc R . .
C27 C 0.46699(19) 0.88732(18) 0.00189(14) 0.0298(5) Uani 1 1 d . . .
H27A H 0.3978 0.9229 -0.0112 0.045 Uiso 1 1 calc R . .
H27B H 0.5347 0.9308 -0.0105 0.045 Uiso 1 1 calc R . .
H27C H 0.4686 0.8860 0.0615 0.045 Uiso 1 1 calc R . .
C28 C 0.3719(2) 0.7042(2) -0.02312(16) 0.0324(6) Uani 1 1 d . . .
H28A H 0.2997 0.7393 -0.0299 0.049 Uiso 1 1 calc R . .
H28B H 0.3835 0.7022 0.0359 0.049 Uiso 1 1 calc R . .
H28C H 0.3689 0.6268 -0.0579 0.049 Uiso 1 1 calc R . .
C29 C 0.6665(2) 0.7972(2) 0.16415(15) 0.0313(6) Uani 1 1 d . . .
H29A H 0.5867 0.7969 0.1453 0.047 Uiso 1 1 calc R . .
H29B H 0.6827 0.7221 0.1727 0.047 Uiso 1 1 calc R . .
H29C H 0.7173 0.8159 0.1216 0.047 Uiso 1 1 calc R . .
C30 C 0.8450(2) 0.8895(3) 0.2963(2) 0.0668(11) Uani 1 1 d . . .
H30A H 0.8631 0.8097 0.2783 0.100 Uiso 1 1 calc R . .
H30B H 0.8554 0.9145 0.3573 0.100 Uiso 1 1 calc R . .
H30C H 0.8961 0.9358 0.2691 0.100 Uiso 1 1 calc R . .
C31 C 0.6817(3) 1.0460(2) 0.2387(2) 0.0526(9) Uani 1 1 d . . .
H31A H 0.6955 1.1067 0.2892 0.079 Uiso 1 1 calc R . .
H31B H 0.6052 1.0514 0.2153 0.079 Uiso 1 1 calc R . .
H31C H 0.7393 1.0537 0.1971 0.079 Uiso 1 1 calc R . .
C32 C 0.6802(3) 0.6663(3) 0.3528(2) 0.0812(13) Uani 1 1 d . . .
H32A H 0.7421 0.7061 0.3906 0.122 Uiso 1 1 calc R . .
H32B H 0.7079 0.6464 0.2953 0.122 Uiso 1 1 calc R . .
H32C H 0.6550 0.5971 0.3701 0.122 Uiso 1 1 calc R . .
C33 C 0.4449(3) 0.6769(2) 0.2817(2) 0.0610(9) Uani 1 1 d . . .
H33A H 0.4698 0.6714 0.2241 0.092 Uiso 1 1 calc R . .
H33B H 0.3726 0.7149 0.2898 0.092 Uiso 1 1 calc R . .
H33C H 0.4339 0.6006 0.2919 0.092 Uiso 1 1 calc R . .
C34 C 0.4955(2) 0.7704(2) 0.46362(16) 0.0356(6) Uani 1 1 d . . .
H34A H 0.4266 0.8141 0.4686 0.053 Uiso 1 1 calc R . .
H34B H 0.5522 0.8083 0.5068 0.053 Uiso 1 1 calc R . .
H34C H 0.4757 0.6940 0.4712 0.053 Uiso 1 1 calc R . .
C35 C 0.8849(3) 1.1761(4) 0.4802(3) 0.0794(13) Uani 1 1 d . . .
H35A H 0.9022 1.2575 0.4867 0.119 Uiso 1 1 calc R . .
H35B H 0.8848 1.1381 0.4206 0.119 Uiso 1 1 calc R . .
H35C H 0.9432 1.1448 0.5106 0.119 Uiso 1 1 calc R . .
C36 C 0.7404(3) 1.0061(2) 0.5429(2) 0.0445(8) Uani 1 1 d . . .
H36A H 0.7383 0.9505 0.4890 0.067 Uiso 1 1 calc R . .
H36B H 0.6730 0.9926 0.5749 0.067 Uiso 1 1 calc R . .
H36C H 0.8099 0.9983 0.5747 0.067 Uiso 1 1 calc R . .
C37 C 0.7425(3) 1.2509(3) 0.6303(2) 0.0704(12) Uani 1 1 d . . .
H37A H 0.6687 1.2433 0.6566 0.106 Uiso 1 1 calc R . .
H37B H 0.7562 1.3292 0.6249 0.106 Uiso 1 1 calc R . .
H37C H 0.8037 1.2314 0.6651 0.106 Uiso 1 1 calc R . .
C38 C 0.7240(3) 1.3632(3) 0.3976(2) 0.0704(11) Uani 1 1 d . . .
H38A H 0.7591 1.3073 0.3536 0.106 Uiso 1 1 calc R . .
H38B H 0.7803 1.3931 0.4430 0.106 Uiso 1 1 calc R . .
H38C H 0.6983 1.4254 0.3741 0.106 Uiso 1 1 calc R . .
C39 C 0.4778(3) 1.2762(2) 0.36067(19) 0.0458(8) Uani 1 1 d . . .
H39A H 0.4089 1.2445 0.3822 0.069 Uiso 1 1 calc R . .
H39B H 0.4995 1.2248 0.3085 0.069 Uiso 1 1 calc R . .
H39C H 0.4623 1.3501 0.3496 0.069 Uiso 1 1 calc R . .
C40 C 0.5509(3) 1.4023(3) 0.5329(2) 0.0557(9) Uani 1 1 d . . .
H40A H 0.6139 1.4219 0.5745 0.084 Uiso 1 1 calc R . .
H40B H 0.4846 1.3714 0.5580 0.084 Uiso 1 1 calc R . .
H40C H 0.5301 1.4703 0.5147 0.084 Uiso 1 1 calc R . .
C41 C 0.4269(3) 1.0696(3) 0.60359(17) 0.0479(8) Uani 1 1 d . . .
H41A H 0.4902 1.1209 0.5943 0.072 Uiso 1 1 calc R . .
H41B H 0.4541 0.9932 0.5978 0.072 Uiso 1 1 calc R . .
H41C H 0.3979 1.0966 0.6602 0.072 Uiso 1 1 calc R . .
C42 C 0.2515(3) 1.2113(2) 0.54940(19) 0.0470(8) Uani 1 1 d . . .
H42A H 0.1855 1.2121 0.5121 0.071 Uiso 1 1 calc R . .
H42B H 0.3107 1.2672 0.5409 0.071 Uiso 1 1 calc R . .
H42C H 0.2275 1.2302 0.6078 0.071 Uiso 1 1 calc R . .
C43 C 0.1933(3) 0.9696(3) 0.5519(2) 0.0568(9) Uani 1 1 d . . .
H43A H 0.2162 0.8911 0.5362 0.085 Uiso 1 1 calc R . .
H43B H 0.1228 0.9769 0.5211 0.085 Uiso 1 1 calc R . .
H43C H 0.1801 0.9905 0.6123 0.085 Uiso 1 1 calc R . .
C44 C 0.1665(2) 1.1048(3) 0.3302(2) 0.0489(8) Uani 1 1 d . . .
H44A H 0.2110 1.1742 0.3271 0.073 Uiso 1 1 calc R . .
H44B H 0.1176 1.1203 0.3793 0.073 Uiso 1 1 calc R . .
H44C H 0.1186 1.0789 0.2792 0.073 Uiso 1 1 calc R . .
C45 C 0.1681(3) 0.8632(3) 0.3403(3) 0.0501(9) Uani 1 1 d . . .
C46 C 0.3461(2) 0.9611(3) 0.24011(16) 0.0369(7) Uani 1 1 d . . .
H46A H 0.3987 0.9009 0.2411 0.055 Uiso 1 1 calc R . .
H46B H 0.3899 1.0296 0.2342 0.055 Uiso 1 1 calc R . .
H46C H 0.2919 0.9363 0.1926 0.055 Uiso 1 1 calc R . .
C47 C 0.79231(18) 0.6781(2) 0.56900(17) 0.0465(7) Uani 1 1 d . . .
H47A H 0.7709 0.6948 0.6280 0.070 Uiso 1 1 calc R . .
H47B H 0.7597 0.6030 0.5406 0.070 Uiso 1 1 calc R . .
H47C H 0.7627 0.7353 0.5419 0.070 Uiso 1 1 calc R . .
C48 C 0.9650(3) 0.7930(2) 0.6051(2) 0.0465(8) Uani 1 1 d . . .
H48A H 0.9406 0.8118 0.6635 0.070 Uiso 1 1 calc R . .
H48B H 0.9372 0.8487 0.5758 0.070 Uiso 1 1 calc R . .
H48C H 1.0488 0.7943 0.6039 0.070 Uiso 1 1 calc R . .
C49 C 0.96567(17) 0.58875(18) 0.59739(13) 0.0253(5) Uani 1 1 d . . .
H49 H 0.9218 0.5170 0.5695 0.030 Uiso 1 1 calc R . .
C50 C 0.95164(19) 0.6024(2) 0.69208(14) 0.0387(6) Uani 1 1 d . . .
H50A H 0.9947 0.6725 0.7220 0.046 Uiso 1 1 calc R . .
H50B H 0.8698 0.6111 0.7053 0.046 Uiso 1 1 calc R . .
C51 C 0.9931(2) 0.5036(3) 0.72372(17) 0.0504(7) Uani 1 1 d . . .
H51A H 0.9475 0.4336 0.6967 0.060 Uiso 1 1 calc R . .
H51B H 0.9832 0.5172 0.7851 0.060 Uiso 1 1 calc R . .
C52 C 1.1188(2) 0.4892(2) 0.70356(16) 0.0433(6) Uani 1 1 d . . .
H52A H 1.1650 0.5572 0.7336 0.052 Uiso 1 1 calc R . .
H52B H 1.1457 0.4228 0.7225 0.052 Uiso 1 1 calc R . .
C53 C 1.1344(2) 0.47229(19) 0.60957(14) 0.0333(5) Uani 1 1 d . . .
H53A H 1.0922 0.4013 0.5804 0.040 Uiso 1 1 calc R . .
H53B H 1.2166 0.4639 0.5973 0.040 Uiso 1 1 calc R . .
C54 C 1.09181(17) 0.57146(18) 0.57481(13) 0.0223(4) Uani 1 1 d . . .
H54 H 1.1367 0.6414 0.6050 0.027 Uiso 1 1 calc R . .
C55 C 1.2313(2) 0.5855(2) 0.46848(16) 0.0416(7) Uani 1 1 d . . .
H55A H 1.2397 0.5861 0.4091 0.062 Uiso 1 1 calc R . .
H55B H 1.2788 0.5277 0.4825 0.062 Uiso 1 1 calc R . .
H55C H 1.2558 0.6600 0.5032 0.062 Uiso 1 1 calc R . .
C56 C 1.0748(2) 0.4479(2) 0.43223(15) 0.0407(6) Uani 1 1 d . . .
H56A H 1.1212 0.3900 0.4471 0.061 Uiso 1 1 calc R . .
H56B H 1.0849 0.4481 0.3729 0.061 Uiso 1 1 calc R . .
H56C H 0.9940 0.4312 0.4419 0.061 Uiso 1 1 calc R . .
H45A H 0.209(2) 0.806(2) 0.3549(17) 0.052(9) Uiso 1 1 d . . .
H45B H 0.135(2) 0.829(2) 0.2887(17) 0.049(8) Uiso 1 1 d . . .
H45C H 0.109(3) 0.890(2) 0.3739(19) 0.066(9) 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'
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
N4 K1 N5 62.35(5) . . ?
N4 K1 C16 123.23(6) . 1_455 ?
N5 K1 C16 103.80(6) . 1_455 ?
N9 K2 N10 63.44(5) . . ?
N9 K2 C45 134.19(8) . 1_655 ?
N10 K2 C45 107.83(8) . 1_655 ?
N2 Mg1 N1 118.83(8) . . ?
N2 Mg1 N3 122.32(8) . . ?
N1 Mg1 N3 118.84(9) . . ?
N2 Mg1 Si5 103.13(6) . . ?
N1 Mg1 Si5 132.06(7) . . ?
N3 Mg1 Si5 28.32(5) . . ?
N2 Mg1 Si4 28.02(5) . . ?
N1 Mg1 Si4 132.85(7) . . ?
N3 Mg1 Si4 103.48(6) . . ?
Si5 Mg1 Si4 95.07(3) . . ?
N2 Mg1 Si1 99.55(6) . . ?
N1 Mg1 Si1 27.75(6) . . ?
N3 Mg1 Si1 133.95(6) . . ?
Si5 Mg1 Si1 157.16(3) . . ?
Si4 Mg1 Si1 106.33(3) . . ?
N2 Mg1 Si2 132.66(6) . . ?
N1 Mg1 Si2 27.74(6) . . ?
N3 Mg1 Si2 99.77(6) . . ?
Si5 Mg1 Si2 105.54(3) . . ?
Si4 Mg1 Si2 156.75(3) . . ?
Si1 Mg1 Si2 55.48(2) . . ?
N2 Mg1 Si3 27.45(5) . . ?
N1 Mg1 Si3 99.94(6) . . ?
N3 Mg1 Si3 135.59(6) . . ?
Si5 Mg1 Si3 108.64(3) . . ?
Si4 Mg1 Si3 55.47(2) . . ?
Si1 Mg1 Si3 90.41(3) . . ?
Si2 Mg1 Si3 106.53(3) . . ?
N2 Mg1 Si6 134.04(6) . . ?
N1 Mg1 Si6 101.83(6) . . ?
N3 Mg1 Si6 27.60(5) . . ?
Si5 Mg1 Si6 55.91(2) . . ?
Si4 Mg1 Si6 107.35(3) . . ?
Si1 Mg1 Si6 108.61(3) . . ?
Si2 Mg1 Si6 93.29(3) . . ?
Si3 Mg1 Si6 158.21(3) . . ?
N8 Mg2 N7 121.38(9) . . ?
N8 Mg2 N6 118.69(9) . . ?
N7 Mg2 N6 119.91(9) . . ?
N8 Mg2 Si11 28.65(6) . . ?
N7 Mg2 Si11 101.12(7) . . ?
N6 Mg2 Si11 133.40(7) . . ?
N8 Mg2 Si10 103.81(6) . . ?
N7 Mg2 Si10 27.72(5) . . ?
N6 Mg2 Si10 132.31(7) . . ?
Si11 Mg2 Si10 94.29(3) . . ?
N8 Mg2 Si7 134.62(7) . . ?
N7 Mg2 Si7 99.89(6) . . ?
N6 Mg2 Si7 27.81(6) . . ?
Si11 Mg2 Si7 158.87(3) . . ?
Si10 Mg2 Si7 105.42(3) . . ?
N8 Mg2 Si12 27.35(6) . . ?
N7 Mg2 Si12 133.67(6) . . ?
N6 Mg2 Si12 101.42(6) . . ?
Si11 Mg2 Si12 55.94(2) . . ?
Si10 Mg2 Si12 107.82(3) . . ?
Si7 Mg2 Si12 109.37(3) . . ?
N8 Mg2 Si9 133.64(7) . . ?
N7 Mg2 Si9 27.80(5) . . ?
N6 Mg2 Si9 101.68(6) . . ?
Si11 Mg2 Si9 106.01(3) . . ?
Si10 Mg2 Si9 55.52(2) . . ?
Si7 Mg2 Si9 91.67(3) . . ?
Si12 Mg2 Si9 156.89(3) . . ?
N8 Mg2 Si8 98.27(6) . . ?
N7 Mg2 Si8 135.84(6) . . ?
N6 Mg2 Si8 27.34(6) . . ?
Si11 Mg2 Si8 106.71(3) . . ?
Si10 Mg2 Si8 157.71(3) . . ?
Si7 Mg2 Si8 55.14(2) . . ?
Si12 Mg2 Si8 90.48(3) . . ?
Si9 Mg2 Si8 109.92(3) . . ?
N1 Si1 C3 111.76(11) . . ?
N1 Si1 C2 114.76(12) . . ?
C3 Si1 C2 107.83(15) . . ?
N1 Si1 C1 112.90(11) . . ?
C3 Si1 C1 105.87(12) . . ?
C2 Si1 C1 102.97(13) . . ?
N1 Si1 Mg1 33.79(6) . . ?
C3 Si1 Mg1 79.01(9) . . ?
C2 Si1 Mg1 120.34(10) . . ?
C1 Si1 Mg1 132.93(9) . . ?
N1 Si2 C6 110.95(10) . . ?
N1 Si2 C4 115.66(11) . . ?
C6 Si2 C4 106.15(12) . . ?
N1 Si2 C5 112.62(11) . . ?
C6 Si2 C5 105.98(12) . . ?
C4 Si2 C5 104.78(12) . . ?
N1 Si2 Mg1 33.65(6) . . ?
C6 Si2 Mg1 77.53(8) . . ?
C4 Si2 Mg1 124.24(9) . . ?
C5 Si2 Mg1 128.21(9) . . ?
N2 Si3 C7 111.58(11) . . ?
N2 Si3 C8 114.99(12) . . ?
C7 Si3 C8 104.73(14) . . ?
N2 Si3 C9 113.05(13) . . ?
C7 Si3 C9 106.58(16) . . ?
C8 Si3 C9 105.17(18) . . ?
N2 Si3 Mg1 33.30(7) . . ?
C7 Si3 Mg1 78.50(8) . . ?
C8 Si3 Mg1 130.17(12) . . ?
C9 Si3 Mg1 121.79(12) . . ?
N2 Si4 C11 111.25(11) . . ?
N2 Si4 C10 114.38(11) . . ?
C11 Si4 C10 105.13(14) . . ?
N2 Si4 C12 114.74(11) . . ?
C11 Si4 C12 105.86(13) . . ?
C10 Si4 C12 104.63(13) . . ?
N2 Si4 Mg1 33.90(7) . . ?
C11 Si4 Mg1 77.36(9) . . ?
C10 Si4 Mg1 127.04(9) . . ?
C12 Si4 Mg1 125.99(10) . . ?
N3 Si5 C15 114.08(12) . . ?
N3 Si5 C14 111.65(11) . . ?
C15 Si5 C14 105.17(15) . . ?
N3 Si5 C13 115.00(12) . . ?
C15 Si5 C13 105.16(17) . . ?
C14 Si5 C13 104.86(15) . . ?
N3 Si5 Mg1 34.64(6) . . ?
C15 Si5 Mg1 123.47(12) . . ?
C14 Si5 Mg1 77.10(9) . . ?
C13 Si5 Mg1 129.36(11) . . ?
N3 Si6 C18 112.21(11) . . ?
N3 Si6 C16 112.34(11) . . ?
C18 Si6 C16 106.29(13) . . ?
N3 Si6 C17 116.00(11) . . ?
C18 Si6 C17 105.22(13) . . ?
C16 Si6 C17 103.93(13) . . ?
N3 Si6 Mg1 33.68(6) . . ?
C18 Si6 Mg1 78.60(9) . . ?
C16 Si6 Mg1 126.74(9) . . ?
C17 Si6 Mg1 126.41(9) . . ?
N6 Si7 C31 111.93(11) . . ?
N6 Si7 C29 112.82(11) . . ?
C31 Si7 C29 105.60(13) . . ?
N6 Si7 C30 113.33(13) . . ?
C31 Si7 C30 108.61(17) . . ?
C29 Si7 C30 103.95(13) . . ?
N6 Si7 Mg2 34.02(7) . . ?
C31 Si7 Mg2 79.24(9) . . ?
C29 Si7 Mg2 133.82(9) . . ?
C30 Si7 Mg2 118.14(10) . . ?
N6 Si8 C34 112.35(11) . . ?
N6 Si8 C32 112.50(14) . . ?
C34 Si8 C32 105.17(13) . . ?
N6 Si8 C33 115.25(12) . . ?
C34 Si8 C33 104.92(14) . . ?
C32 Si8 C33 105.80(17) . . ?
N6 Si8 Mg2 33.48(7) . . ?
C34 Si8 Mg2 81.03(8) . . ?
C32 Si8 Mg2 135.42(14) . . ?
C33 Si8 Mg2 115.24(10) . . ?
N7 Si9 C37 113.66(13) . . ?
N7 Si9 C35 114.85(15) . . ?
C37 Si9 C35 105.3(2) . . ?
N7 Si9 C36 111.70(12) . . ?
C37 Si9 C36 105.70(15) . . ?
C35 Si9 C36 104.74(17) . . ?
N7 Si9 Mg2 33.69(7) . . ?
C37 Si9 Mg2 129.37(13) . . ?
C35 Si9 Mg2 122.74(14) . . ?
C36 Si9 Mg2 78.22(9) . . ?
N7 Si10 C39 111.49(12) . . ?
N7 Si10 C40 114.36(13) . . ?
C39 Si10 C40 105.44(14) . . ?
N7 Si10 C38 112.50(13) . . ?
C39 Si10 C38 107.16(16) . . ?
C40 Si10 C38 105.32(17) . . ?
N7 Si10 Mg2 33.89(7) . . ?
C39 Si10 Mg2 77.72(9) . . ?
C40 Si10 Mg2 123.48(12) . . ?
C38 Si10 Mg2 128.12(11) . . ?
N8 Si11 C41 111.88(11) . . ?
N8 Si11 C42 113.49(12) . . ?
C41 Si11 C42 106.48(14) . . ?
N8 Si11 C43 113.86(13) . . ?
C41 Si11 C43 105.13(15) . . ?
C42 Si11 C43 105.30(15) . . ?
N8 Si11 Mg2 34.39(7) . . ?
C41 Si11 Mg2 78.65(9) . . ?
C42 Si11 Mg2 117.44(10) . . ?
C43 Si11 Mg2 134.25(11) . . ?
N8 Si12 C46 111.62(11) . . ?
N8 Si12 C44 115.02(12) . . ?
C46 Si12 C44 105.93(13) . . ?
N8 Si12 Mg2 32.90(7) . . ?
C46 Si12 Mg2 78.72(8) . . ?
C44 Si12 Mg2 126.88(11) . . ?
Si1 N1 Si2 122.90(11) . . ?
Si1 N1 Mg1 118.47(11) . . ?
Si2 N1 Mg1 118.61(11) . . ?
Si3 N2 Si4 122.66(12) . . ?
Si3 N2 Mg1 119.25(10) . . ?
Si4 N2 Mg1 118.07(10) . . ?
Si5 N3 Si6 124.17(11) . . ?
Si5 N3 Mg1 117.03(10) . . ?
Si6 N3 Mg1 118.72(10) . . ?
C20 N4 C19 110.40(17) . . ?
C20 N4 C21 113.60(17) . . ?
C19 N4 C21 111.90(18) . . ?
C20 N4 K1 99.50(13) . . ?
C19 N4 K1 106.38(14) . . ?
C21 N4 K1 114.23(12) . . ?
C28 N5 C27 108.37(17) . . ?
C28 N5 C26 113.62(18) . . ?
C27 N5 C26 110.85(16) . . ?
C28 N5 K1 86.57(12) . . ?
C27 N5 K1 118.43(13) . . ?
C26 N5 K1 116.47(12) . . ?
Si8 N6 Si7 122.63(11) . . ?
Si8 N6 Mg2 119.17(11) . . ?
Si7 N6 Mg2 118.17(11) . . ?
Si10 N7 Si9 123.09(12) . . ?
Si10 N7 Mg2 118.39(10) . . ?
Si9 N7 Mg2 118.51(11) . . ?
Si12 N8 Si11 123.11(12) . . ?
Si12 N8 Mg2 119.75(11) . . ?
Si11 N8 Mg2 116.97(11) . . ?
C48 N9 C47 108.74(19) . . ?
C48 N9 C49 113.23(19) . . ?
C47 N9 C49 111.52(18) . . ?
C48 N9 K2 93.81(15) . . ?
C47 N9 K2 111.53(13) . . ?
C49 N9 K2 116.66(12) . . ?
C55 N10 C56 109.43(19) . . ?
C55 N10 C54 111.44(17) . . ?
C56 N10 C54 114.05(18) . . ?
C55 N10 K2 104.88(14) . . ?
C56 N10 K2 100.19(13) . . ?
C54 N10 K2 115.95(12) . . ?
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 . . ?
Si2 C4 H4A 109.5 . . ?
Si2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
Si2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si2 C5 H5A 109.5 . . ?
Si2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si3 C7 H7A 109.5 . . ?
Si3 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si3 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si3 C8 H8A 109.5 . . ?
Si3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si3 C9 H9A 109.5 . . ?
Si3 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si3 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si4 C10 H10A 109.5 . . ?
Si4 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si4 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si4 C11 H11A 109.5 . . ?
Si4 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si4 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si4 C12 H12A 109.5 . . ?
Si4 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si4 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si5 C13 H13A 109.5 . . ?
Si5 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si5 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si5 C14 H14A 109.5 . . ?
Si5 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si5 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si5 C15 H15A 109.5 . . ?
Si5 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si5 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si6 C16 H16A 109.5 . . ?
Si6 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si6 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si6 C17 H17A 109.5 . . ?
Si6 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si6 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si6 C18 H18A 109.5 . . ?
Si6 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si6 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N4 C19 H19A 109.5 . . ?
N4 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
N4 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N4 C20 H20A 109.5 . . ?
N4 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
N4 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N4 C21 C26 112.35(17) . . ?
N4 C21 C22 114.39(16) . . ?
C26 C21 C22 108.97(18) . . ?
N4 C21 H21 106.9 . . ?
C26 C21 H21 106.9 . . ?
C22 C21 H21 106.9 . . ?
C23 C22 C21 111.95(18) . . ?
C23 C22 H22A 109.2 . . ?
C21 C22 H22A 109.2 . . ?
C23 C22 H22B 109.2 . . ?
C21 C22 H22B 109.2 . . ?
H22A C22 H22B 107.9 . . ?
C22 C23 C24 110.7(2) . . ?
C22 C23 H23A 109.5 . . ?
C24 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C24 C23 H23B 109.5 . . ?
H23A C23 H23B 108.1 . . ?
C23 C24 C25 110.2(2) . . ?
C23 C24 H24A 109.6 . . ?
C25 C24 H24A 109.6 . . ?
C23 C24 H24B 109.6 . . ?
C25 C24 H24B 109.6 . . ?
H24A C24 H24B 108.1 . . ?
C24 C25 C26 111.24(18) . . ?
C24 C25 H25A 109.4 . . ?
C26 C25 H25A 109.4 . . ?
C24 C25 H25B 109.4 . . ?
C26 C25 H25B 109.4 . . ?
H25A C25 H25B 108.0 . . ?
N5 C26 C21 113.67(17) . . ?
N5 C26 C25 113.60(17) . . ?
C21 C26 C25 108.19(17) . . ?
N5 C26 H26 107.0 . . ?
C21 C26 H26 107.0 . . ?
C25 C26 H26 107.0 . . ?
N5 C27 H27A 109.5 . . ?
N5 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
N5 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N5 C28 H28A 109.5 . . ?
N5 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
N5 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si7 C29 H29A 109.5 . . ?
Si7 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si7 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si7 C30 H30A 109.5 . . ?
Si7 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
Si7 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si7 C31 H31A 109.5 . . ?
Si7 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Si7 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si8 C32 H32A 109.5 . . ?
Si8 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Si8 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si8 C33 H33A 109.5 . . ?
Si8 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si8 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si8 C34 H34A 109.5 . . ?
Si8 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
Si8 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si9 C35 H35A 109.5 . . ?
Si9 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
Si9 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si9 C36 H36A 109.5 . . ?
Si9 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
Si9 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si9 C37 H37A 109.5 . . ?
Si9 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
Si9 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si10 C38 H38A 109.5 . . ?
Si10 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Si10 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Si10 C39 H39A 109.5 . . ?
Si10 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
Si10 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si10 C40 H40A 109.5 . . ?
Si10 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
Si10 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si11 C41 H41A 109.5 . . ?
Si11 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si11 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si11 C42 H42A 109.5 . . ?
Si11 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
Si11 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Si11 C43 H43A 109.5 . . ?
Si11 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
Si11 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
Si12 C44 H44A 109.5 . . ?
Si12 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
Si12 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
K2 C45 H45A 72.2(17) 1_455 . ?
K2 C45 H45B 83.2(16) 1_455 . ?
H45A C45 H45B 104(2) . . ?
K2 C45 H45C 58.0(18) 1_455 . ?
H45A C45 H45C 117(3) . . ?
H45B C45 H45C 106(2) . . ?
Si12 C46 H46A 109.5 . . ?
Si12 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
Si12 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
N9 C47 H47A 109.5 . . ?
N9 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
N9 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
N9 C48 H48A 109.5 . . ?
N9 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
N9 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
N9 C49 C50 114.33(18) . . ?
N9 C49 C54 112.41(17) . . ?
C50 C49 C54 109.94(17) . . ?
N9 C49 H49 106.5 . . ?
C50 C49 H49 106.5 . . ?
C54 C49 H49 106.5 . . ?
C51 C50 C49 113.1(2) . . ?
C51 C50 H50A 109.0 . . ?
C49 C50 H50A 109.0 . . ?
C51 C50 H50B 109.0 . . ?
C49 C50 H50B 109.0 . . ?
H50A C50 H50B 107.8 . . ?
C50 C51 C52 109.4(2) . . ?
C50 C51 H51A 109.8 . . ?
C52 C51 H51A 109.8 . . ?
C50 C51 H51B 109.8 . . ?
C52 C51 H51B 109.8 . . ?
H51A C51 H51B 108.2 . . ?
C53 C52 C51 109.7(2) . . ?
C53 C52 H52A 109.7 . . ?
C51 C52 H52A 109.7 . . ?
C53 C52 H52B 109.7 . . ?
C51 C52 H52B 109.7 . . ?
H52A C52 H52B 108.2 . . ?
C52 C53 C54 112.84(19) . . ?
C52 C53 H53A 109.0 . . ?
C54 C53 H53A 109.0 . . ?
C52 C53 H53B 109.0 . . ?
C54 C53 H53B 109.0 . . ?
H53A C53 H53B 107.8 . . ?
N10 C54 C49 112.60(16) . . ?
N10 C54 C53 113.73(17) . . ?
C49 C54 C53 109.36(17) . . ?
N10 C54 H54 106.9 . . ?
C49 C54 H54 106.9 . . ?
C53 C54 H54 106.9 . . ?
N10 C55 H55A 109.5 . . ?
N10 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
N10 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
N10 C56 H56A 109.5 . . ?
N10 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
N10 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 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 N4 2.7273(19) . ?
K1 N5 2.8486(17) . ?
K1 C16 3.257(3) 1_455 ?
K2 N9 2.7666(18) . ?
K2 N10 2.7708(18) . ?
K2 C45 3.202(3) 1_655 ?
Mg1 N2 2.024(2) . ?
Mg1 N1 2.0276(19) . ?
Mg1 N3 2.036(2) . ?
Mg1 Si5 3.1896(10) . ?
Mg1 Si4 3.2023(10) . ?
Mg1 Si1 3.2053(10) . ?
Mg1 Si2 3.2123(10) . ?
Mg1 Si3 3.2172(10) . ?
Mg1 Si6 3.2194(9) . ?
Mg2 N8 2.008(2) . ?
Mg2 N7 2.026(2) . ?
Mg2 N6 2.0322(19) . ?
Mg2 Si11 3.1692(10) . ?
Mg2 Si10 3.1967(11) . ?
Mg2 Si7 3.2019(10) . ?
Mg2 Si12 3.2096(10) . ?
Mg2 Si9 3.2101(10) . ?
Mg2 Si8 3.2164(10) . ?
Si1 N1 1.698(2) . ?
Si1 C3 1.860(3) . ?
Si1 C2 1.887(3) . ?
Si1 C1 1.891(3) . ?
Si2 N1 1.703(2) . ?
Si2 C6 1.864(3) . ?
Si2 C4 1.881(3) . ?
Si2 C5 1.891(2) . ?
Si3 N2 1.700(2) . ?
Si3 C7 1.870(3) . ?
Si3 C8 1.881(3) . ?
Si3 C9 1.894(3) . ?
Si4 N2 1.705(2) . ?
Si4 C11 1.874(3) . ?
Si4 C10 1.887(3) . ?
Si4 C12 1.891(3) . ?
Si5 N3 1.699(2) . ?
Si5 C15 1.869(3) . ?
Si5 C14 1.873(3) . ?
Si5 C13 1.880(3) . ?
Si6 N3 1.7010(19) . ?
Si6 C18 1.878(3) . ?
Si6 C16 1.883(3) . ?
Si6 C17 1.885(2) . ?
Si7 N6 1.694(2) . ?
Si7 C31 1.859(3) . ?
Si7 C29 1.886(3) . ?
Si7 C30 1.892(3) . ?
Si8 N6 1.692(2) . ?
Si8 C34 1.875(3) . ?
Si8 C32 1.876(3) . ?
Si8 C33 1.880(3) . ?
Si9 N7 1.704(2) . ?
Si9 C37 1.870(3) . ?
Si9 C35 1.876(4) . ?
Si9 C36 1.879(3) . ?
Si10 N7 1.690(2) . ?
Si10 C39 1.869(3) . ?
Si10 C40 1.875(3) . ?
Si10 C38 1.891(3) . ?
Si11 N8 1.705(2) . ?
Si11 C41 1.857(3) . ?
Si11 C42 1.878(3) . ?
Si11 C43 1.880(3) . ?
Si12 N8 1.698(2) . ?
Si12 C46 1.864(3) . ?
Si12 C44 1.873(3) . ?
N4 C20 1.464(3) . ?
N4 C19 1.468(3) . ?
N4 C21 1.478(3) . ?
N5 C28 1.467(3) . ?
N5 C27 1.472(3) . ?
N5 C26 1.478(3) . ?
N9 C48 1.465(3) . ?
N9 C47 1.472(3) . ?
N9 C49 1.474(3) . ?
N10 C55 1.463(3) . ?
N10 C56 1.466(3) . ?
N10 C54 1.478(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 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
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 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
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 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
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 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
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 C26 1.534(3) . ?
C21 C22 1.536(3) . ?
C21 H21 1.0000 . ?
C22 C23 1.518(3) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.521(4) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.529(3) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.545(3) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26 1.0000 . ?
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 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
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 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
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 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
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 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 K2 3.202(3) 1_455 ?
C45 H45A 0.93(3) . ?
C45 H45B 0.92(3) . ?
C45 H45C 0.92(3) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
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 C50 1.533(3) . ?
C49 C54 1.539(3) . ?
C49 H49 1.0000 . ?
C50 C51 1.509(3) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C52 1.522(3) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 C53 1.520(3) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.545(3) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 H54 1.0000 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 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
N2 Mg1 Si1 N1 -136.93(13) . . . . ?
N3 Mg1 Si1 N1 66.83(14) . . . . ?
Si5 Mg1 Si1 N1 36.28(13) . . . . ?
Si4 Mg1 Si1 N1 -164.86(12) . . . . ?
Si2 Mg1 Si1 N1 -1.02(11) . . . . ?
Si3 Mg1 Si1 N1 -110.92(12) . . . . ?
Si6 Mg1 Si1 N1 79.88(12) . . . . ?
N2 Mg1 Si1 C3 57.30(12) . . . . ?
N1 Mg1 Si1 C3 -165.77(16) . . . . ?
N3 Mg1 Si1 C3 -98.94(13) . . . . ?
Si5 Mg1 Si1 C3 -129.50(13) . . . . ?
Si4 Mg1 Si1 C3 29.36(11) . . . . ?
Si2 Mg1 Si1 C3 -166.79(11) . . . . ?
Si3 Mg1 Si1 C3 83.31(11) . . . . ?
Si6 Mg1 Si1 C3 -85.89(11) . . . . ?
N2 Mg1 Si1 C2 -47.05(15) . . . . ?
N1 Mg1 Si1 C2 89.88(18) . . . . ?
N3 Mg1 Si1 C2 156.71(15) . . . . ?
Si5 Mg1 Si1 C2 126.15(15) . . . . ?
Si4 Mg1 Si1 C2 -74.99(14) . . . . ?
Si2 Mg1 Si1 C2 88.86(14) . . . . ?
Si3 Mg1 Si1 C2 -21.04(14) . . . . ?
Si6 Mg1 Si1 C2 169.76(13) . . . . ?
N2 Mg1 Si1 C1 158.83(12) . . . . ?
N1 Mg1 Si1 C1 -64.24(16) . . . . ?
N3 Mg1 Si1 C1 2.59(15) . . . . ?
Si5 Mg1 Si1 C1 -27.97(15) . . . . ?
Si4 Mg1 Si1 C1 130.89(11) . . . . ?
Si2 Mg1 Si1 C1 -65.26(11) . . . . ?
Si3 Mg1 Si1 C1 -175.16(11) . . . . ?
Si6 Mg1 Si1 C1 15.64(12) . . . . ?
N2 Mg1 Si2 N1 69.92(14) . . . . ?
N3 Mg1 Si2 N1 -136.41(13) . . . . ?
Si5 Mg1 Si2 N1 -164.85(12) . . . . ?
Si4 Mg1 Si2 N1 43.58(14) . . . . ?
Si1 Mg1 Si2 N1 1.02(11) . . . . ?
Si3 Mg1 Si2 N1 79.77(12) . . . . ?
Si6 Mg1 Si2 N1 -109.38(12) . . . . ?
N2 Mg1 Si2 C6 -103.31(12) . . . . ?
N1 Mg1 Si2 C6 -173.24(14) . . . . ?
N3 Mg1 Si2 C6 50.36(10) . . . . ?
Si5 Mg1 Si2 C6 21.91(9) . . . . ?
Si4 Mg1 Si2 C6 -129.66(11) . . . . ?
Si1 Mg1 Si2 C6 -172.22(9) . . . . ?
Si3 Mg1 Si2 C6 -93.46(9) . . . . ?
Si6 Mg1 Si2 C6 77.38(8) . . . . ?
N2 Mg1 Si2 C4 155.50(13) . . . . ?
N1 Mg1 Si2 C4 85.57(16) . . . . ?
N3 Mg1 Si2 C4 -50.83(12) . . . . ?
Si5 Mg1 Si2 C4 -79.28(11) . . . . ?
Si4 Mg1 Si2 C4 129.15(12) . . . . ?
Si1 Mg1 Si2 C4 86.59(11) . . . . ?
Si3 Mg1 Si2 C4 165.35(11) . . . . ?
Si6 Mg1 Si2 C4 -23.81(11) . . . . ?
N2 Mg1 Si2 C5 -2.67(15) . . . . ?
N1 Mg1 Si2 C5 -72.60(16) . . . . ?
N3 Mg1 Si2 C5 151.00(13) . . . . ?
Si5 Mg1 Si2 C5 122.55(12) . . . . ?
Si4 Mg1 Si2 C5 -29.02(15) . . . . ?
Si1 Mg1 Si2 C5 -71.58(12) . . . . ?
Si3 Mg1 Si2 C5 7.18(12) . . . . ?
Si6 Mg1 Si2 C5 178.03(11) . . . . ?
N1 Mg1 Si3 N2 -136.45(14) . . . . ?
N3 Mg1 Si3 N2 72.07(15) . . . . ?
Si5 Mg1 Si3 N2 82.57(12) . . . . ?
Si4 Mg1 Si3 N2 -0.60(12) . . . . ?
Si1 Mg1 Si3 N2 -110.25(13) . . . . ?
Si2 Mg1 Si3 N2 -164.16(13) . . . . ?
Si6 Mg1 Si3 N2 41.16(15) . . . . ?
N2 Mg1 Si3 C7 -173.50(17) . . . . ?
N1 Mg1 Si3 C7 50.05(12) . . . . ?
N3 Mg1 Si3 C7 -101.43(14) . . . . ?
Si5 Mg1 Si3 C7 -90.92(11) . . . . ?
Si4 Mg1 Si3 C7 -174.09(11) . . . . ?
Si1 Mg1 Si3 C7 76.25(11) . . . . ?
Si2 Mg1 Si3 C7 22.34(11) . . . . ?
Si6 Mg1 Si3 C7 -132.33(13) . . . . ?
N2 Mg1 Si3 C8 -73.84(18) . . . . ?
N1 Mg1 Si3 C8 149.72(15) . . . . ?
N3 Mg1 Si3 C8 -1.77(17) . . . . ?
Si5 Mg1 Si3 C8 8.74(14) . . . . ?
Si4 Mg1 Si3 C8 -74.43(14) . . . . ?
Si1 Mg1 Si3 C8 175.92(14) . . . . ?
Si2 Mg1 Si3 C8 122.00(14) . . . . ?
Si6 Mg1 Si3 C8 -32.67(18) . . . . ?
N2 Mg1 Si3 C9 84.00(19) . . . . ?
N1 Mg1 Si3 C9 -52.45(16) . . . . ?
N3 Mg1 Si3 C9 156.07(16) . . . . ?
Si5 Mg1 Si3 C9 166.57(14) . . . . ?
Si4 Mg1 Si3 C9 83.40(14) . . . . ?
Si1 Mg1 Si3 C9 -26.25(15) . . . . ?
Si2 Mg1 Si3 C9 -80.16(15) . . . . ?
Si6 Mg1 Si3 C9 125.16(16) . . . . ?
N1 Mg1 Si4 N2 69.95(14) . . . . ?
N3 Mg1 Si4 N2 -136.02(14) . . . . ?
Si5 Mg1 Si4 N2 -108.59(12) . . . . ?
Si1 Mg1 Si4 N2 79.49(12) . . . . ?
Si2 Mg1 Si4 N2 43.99(14) . . . . ?
Si3 Mg1 Si4 N2 0.59(12) . . . . ?
Si6 Mg1 Si4 N2 -164.40(13) . . . . ?
N2 Mg1 Si4 C11 -178.25(17) . . . . ?
N1 Mg1 Si4 C11 -108.30(13) . . . . ?
N3 Mg1 Si4 C11 45.72(12) . . . . ?
Si5 Mg1 Si4 C11 73.16(10) . . . . ?
Si1 Mg1 Si4 C11 -98.76(10) . . . . ?
Si2 Mg1 Si4 C11 -134.26(12) . . . . ?
Si3 Mg1 Si4 C11 -177.67(10) . . . . ?
Si6 Mg1 Si4 C11 17.34(10) . . . . ?
N2 Mg1 Si4 C10 -78.71(18) . . . . ?
N1 Mg1 Si4 C10 -8.76(16) . . . . ?
N3 Mg1 Si4 C10 145.27(14) . . . . ?
Si5 Mg1 Si4 C10 172.71(13) . . . . ?
Si1 Mg1 Si4 C10 0.79(14) . . . . ?
Si2 Mg1 Si4 C10 -34.71(16) . . . . ?
Si3 Mg1 Si4 C10 -78.12(13) . . . . ?
Si6 Mg1 Si4 C10 116.89(13) . . . . ?
N2 Mg1 Si4 C12 81.18(17) . . . . ?
N1 Mg1 Si4 C12 151.13(13) . . . . ?
N3 Mg1 Si4 C12 -54.84(13) . . . . ?
Si5 Mg1 Si4 C12 -27.40(11) . . . . ?
Si1 Mg1 Si4 C12 160.68(11) . . . . ?
Si2 Mg1 Si4 C12 125.17(13) . . . . ?
Si3 Mg1 Si4 C12 81.77(11) . . . . ?
Si6 Mg1 Si4 C12 -83.22(11) . . . . ?
N2 Mg1 Si5 N3 -136.41(13) . . . . ?
N1 Mg1 Si5 N3 72.25(14) . . . . ?
Si4 Mg1 Si5 N3 -109.20(12) . . . . ?
Si1 Mg1 Si5 N3 50.47(13) . . . . ?
Si2 Mg1 Si5 N3 81.68(11) . . . . ?
Si3 Mg1 Si5 N3 -164.40(12) . . . . ?
Si6 Mg1 Si5 N3 -1.65(11) . . . . ?
N2 Mg1 Si5 C15 -51.94(15) . . . . ?
N1 Mg1 Si5 C15 156.72(15) . . . . ?
N3 Mg1 Si5 C15 84.47(18) . . . . ?
Si4 Mg1 Si5 C15 -24.73(14) . . . . ?
Si1 Mg1 Si5 C15 134.94(15) . . . . ?
Si2 Mg1 Si5 C15 166.15(13) . . . . ?
Si3 Mg1 Si5 C15 -79.93(14) . . . . ?
Si6 Mg1 Si5 C15 82.82(13) . . . . ?
N2 Mg1 Si5 C14 47.87(11) . . . . ?
N1 Mg1 Si5 C14 -103.47(12) . . . . ?
N3 Mg1 Si5 C14 -175.72(15) . . . . ?
Si4 Mg1 Si5 C14 75.08(10) . . . . ?
Si1 Mg1 Si5 C14 -125.25(12) . . . . ?
Si2 Mg1 Si5 C14 -94.04(10) . . . . ?
Si3 Mg1 Si5 C14 19.87(10) . . . . ?
Si6 Mg1 Si5 C14 -177.37(10) . . . . ?
N2 Mg1 Si5 C13 146.64(16) . . . . ?
N1 Mg1 Si5 C13 -4.70(17) . . . . ?
N3 Mg1 Si5 C13 -76.95(19) . . . . ?
Si4 Mg1 Si5 C13 173.85(15) . . . . ?
Si1 Mg1 Si5 C13 -26.48(18) . . . . ?
Si2 Mg1 Si5 C13 4.73(15) . . . . ?
Si3 Mg1 Si5 C13 118.65(15) . . . . ?
Si6 Mg1 Si5 C13 -78.60(15) . . . . ?
N2 Mg1 Si6 N3 75.84(14) . . . . ?
N1 Mg1 Si6 N3 -131.53(13) . . . . ?
Si5 Mg1 Si6 N3 1.69(11) . . . . ?
Si4 Mg1 Si6 N3 85.96(12) . . . . ?
Si1 Mg1 Si6 N3 -159.45(12) . . . . ?
Si2 Mg1 Si6 N3 -104.87(12) . . . . ?
Si3 Mg1 Si6 N3 50.87(14) . . . . ?
N2 Mg1 Si6 C18 -107.59(13) . . . . ?
N1 Mg1 Si6 C18 45.04(11) . . . . ?
N3 Mg1 Si6 C18 176.57(16) . . . . ?
Si5 Mg1 Si6 C18 178.26(10) . . . . ?
Si4 Mg1 Si6 C18 -97.47(10) . . . . ?
Si1 Mg1 Si6 C18 17.12(10) . . . . ?
Si2 Mg1 Si6 C18 71.69(10) . . . . ?
Si3 Mg1 Si6 C18 -132.56(13) . . . . ?
N2 Mg1 Si6 C16 150.49(15) . . . . ?
N1 Mg1 Si6 C16 -56.88(14) . . . . ?
N3 Mg1 Si6 C16 74.65(17) . . . . ?
Si5 Mg1 Si6 C16 76.34(12) . . . . ?
Si4 Mg1 Si6 C16 160.61(12) . . . . ?
Si1 Mg1 Si6 C16 -84.80(12) . . . . ?
Si2 Mg1 Si6 C16 -30.22(12) . . . . ?
Si3 Mg1 Si6 C16 125.52(14) . . . . ?
N2 Mg1 Si6 C17 -6.99(15) . . . . ?
N1 Mg1 Si6 C17 145.64(13) . . . . ?
N3 Mg1 Si6 C17 -82.83(16) . . . . ?
Si5 Mg1 Si6 C17 -81.15(12) . . . . ?
Si4 Mg1 Si6 C17 3.13(12) . . . . ?
Si1 Mg1 Si6 C17 117.71(12) . . . . ?
Si2 Mg1 Si6 C17 172.29(12) . . . . ?
Si3 Mg1 Si6 C17 -31.96(15) . . . . ?
N8 Mg2 Si7 N6 -64.85(14) . . . . ?
N7 Mg2 Si7 N6 138.98(13) . . . . ?
Si11 Mg2 Si7 N6 -34.94(14) . . . . ?
Si10 Mg2 Si7 N6 166.84(12) . . . . ?
Si12 Mg2 Si7 N6 -77.47(12) . . . . ?
Si9 Mg2 Si7 N6 112.26(12) . . . . ?
Si8 Mg2 Si7 N6 -1.01(11) . . . . ?
N8 Mg2 Si7 C31 99.09(14) . . . . ?
N7 Mg2 Si7 C31 -57.09(13) . . . . ?
N6 Mg2 Si7 C31 163.93(16) . . . . ?
Si11 Mg2 Si7 C31 128.99(14) . . . . ?
Si10 Mg2 Si7 C31 -29.22(12) . . . . ?
Si12 Mg2 Si7 C31 86.46(12) . . . . ?
Si9 Mg2 Si7 C31 -83.81(12) . . . . ?
Si8 Mg2 Si7 C31 162.92(12) . . . . ?
N8 Mg2 Si7 C29 -2.29(15) . . . . ?
N7 Mg2 Si7 C29 -158.46(13) . . . . ?
N6 Mg2 Si7 C29 62.56(16) . . . . ?
Si11 Mg2 Si7 C29 27.62(16) . . . . ?
Si10 Mg2 Si7 C29 -130.60(12) . . . . ?
Si12 Mg2 Si7 C29 -14.91(12) . . . . ?
Si9 Mg2 Si7 C29 174.82(12) . . . . ?
Si8 Mg2 Si7 C29 61.55(12) . . . . ?
N8 Mg2 Si7 C30 -155.45(16) . . . . ?
N7 Mg2 Si7 C30 48.38(16) . . . . ?
N6 Mg2 Si7 C30 -90.60(19) . . . . ?
Si11 Mg2 Si7 C30 -125.54(16) . . . . ?
Si10 Mg2 Si7 C30 76.24(15) . . . . ?
Si12 Mg2 Si7 C30 -168.07(15) . . . . ?
Si9 Mg2 Si7 C30 21.66(15) . . . . ?
Si8 Mg2 Si7 C30 -91.61(15) . . . . ?
N8 Mg2 Si8 N6 140.82(13) . . . . ?
N7 Mg2 Si8 N6 -64.36(15) . . . . ?
Si11 Mg2 Si8 N6 168.90(12) . . . . ?
Si10 Mg2 Si8 N6 -31.31(14) . . . . ?
Si7 Mg2 Si8 N6 1.03(12) . . . . ?
Si12 Mg2 Si8 N6 114.51(12) . . . . ?
Si9 Mg2 Si8 N6 -76.58(12) . . . . ?
N8 Mg2 Si8 C34 -59.71(11) . . . . ?
N7 Mg2 Si8 C34 95.12(13) . . . . ?
N6 Mg2 Si8 C34 159.47(15) . . . . ?
Si11 Mg2 Si8 C34 -31.63(9) . . . . ?
Si10 Mg2 Si8 C34 128.16(12) . . . . ?
Si7 Mg2 Si8 C34 160.50(9) . . . . ?
Si12 Mg2 Si8 C34 -86.02(9) . . . . ?
Si9 Mg2 Si8 C34 82.89(9) . . . . ?
N8 Mg2 Si8 C32 -162.27(15) . . . . ?
N7 Mg2 Si8 C32 -7.44(18) . . . . ?
N6 Mg2 Si8 C32 56.92(18) . . . . ?
Si11 Mg2 Si8 C32 -134.19(14) . . . . ?
Si10 Mg2 Si8 C32 25.60(18) . . . . ?
Si7 Mg2 Si8 C32 57.94(14) . . . . ?
Si12 Mg2 Si8 C32 171.42(14) . . . . ?
Si9 Mg2 Si8 C32 -19.67(15) . . . . ?
N8 Mg2 Si8 C33 42.63(13) . . . . ?
N7 Mg2 Si8 C33 -162.54(15) . . . . ?
N6 Mg2 Si8 C33 -98.18(17) . . . . ?
Si11 Mg2 Si8 C33 70.71(12) . . . . ?
Si10 Mg2 Si8 C33 -129.50(14) . . . . ?
Si7 Mg2 Si8 C33 -97.16(12) . . . . ?
Si12 Mg2 Si8 C33 16.32(12) . . . . ?
Si9 Mg2 Si8 C33 -174.77(12) . . . . ?
N8 Mg2 Si9 N7 -74.59(15) . . . . ?
N6 Mg2 Si9 N7 134.41(14) . . . . ?
Si11 Mg2 Si9 N7 -83.47(13) . . . . ?
Si10 Mg2 Si9 N7 0.64(13) . . . . ?
Si7 Mg2 Si9 N7 108.25(13) . . . . ?
Si12 Mg2 Si9 N7 -47.78(15) . . . . ?
Si8 Mg2 Si9 N7 161.56(13) . . . . ?
N8 Mg2 Si9 C37 -1.74(18) . . . . ?
N7 Mg2 Si9 C37 72.9(2) . . . . ?
N6 Mg2 Si9 C37 -152.73(16) . . . . ?
Si11 Mg2 Si9 C37 -10.62(15) . . . . ?
Si10 Mg2 Si9 C37 73.49(15) . . . . ?
Si7 Mg2 Si9 C37 -178.89(15) . . . . ?
Si12 Mg2 Si9 C37 25.07(18) . . . . ?
Si8 Mg2 Si9 C37 -125.59(15) . . . . ?
N8 Mg2 Si9 C35 -160.92(17) . . . . ?
N7 Mg2 Si9 C35 -86.3(2) . . . . ?
N6 Mg2 Si9 C35 48.08(17) . . . . ?
Si11 Mg2 Si9 C35 -169.80(15) . . . . ?
Si10 Mg2 Si9 C35 -85.69(15) . . . . ?
Si7 Mg2 Si9 C35 21.92(15) . . . . ?
Si12 Mg2 Si9 C35 -134.11(16) . . . . ?
Si8 Mg2 Si9 C35 75.23(16) . . . . ?
N8 Mg2 Si9 C36 99.00(14) . . . . ?
N7 Mg2 Si9 C36 173.60(18) . . . . ?
N6 Mg2 Si9 C36 -51.99(12) . . . . ?
Si11 Mg2 Si9 C36 90.13(11) . . . . ?
Si10 Mg2 Si9 C36 174.23(11) . . . . ?
Si7 Mg2 Si9 C36 -78.15(11) . . . . ?
Si12 Mg2 Si9 C36 125.82(13) . . . . ?
Si8 Mg2 Si9 C36 -24.85(11) . . . . ?
N8 Mg2 Si10 N7 133.26(15) . . . . ?
N6 Mg2 Si10 N7 -73.60(15) . . . . ?
Si11 Mg2 Si10 N7 105.86(13) . . . . ?
Si7 Mg2 Si10 N7 -81.85(13) . . . . ?
Si12 Mg2 Si10 N7 161.40(13) . . . . ?
Si9 Mg2 Si10 N7 -0.64(13) . . . . ?
Si8 Mg2 Si10 N7 -54.76(15) . . . . ?
N8 Mg2 Si10 C39 -51.66(12) . . . . ?
N7 Mg2 Si10 C39 175.08(18) . . . . ?
N6 Mg2 Si10 C39 101.49(13) . . . . ?
Si11 Mg2 Si10 C39 -79.06(11) . . . . ?
Si7 Mg2 Si10 C39 93.23(11) . . . . ?
Si12 Mg2 Si10 C39 -23.52(11) . . . . ?
Si9 Mg2 Si10 C39 174.44(11) . . . . ?
Si8 Mg2 Si10 C39 120.32(13) . . . . ?
N8 Mg2 Si10 C40 48.87(14) . . . . ?
N7 Mg2 Si10 C40 -84.39(18) . . . . ?
N6 Mg2 Si10 C40 -157.99(14) . . . . ?
Si11 Mg2 Si10 C40 21.47(13) . . . . ?
Si7 Mg2 Si10 C40 -166.24(13) . . . . ?
Si12 Mg2 Si10 C40 77.01(13) . . . . ?
Si9 Mg2 Si10 C40 -85.03(13) . . . . ?
Si8 Mg2 Si10 C40 -139.16(14) . . . . ?
N8 Mg2 Si10 C38 -153.96(17) . . . . ?
N7 Mg2 Si10 C38 72.8(2) . . . . ?
N6 Mg2 Si10 C38 -0.82(18) . . . . ?
Si11 Mg2 Si10 C38 178.64(16) . . . . ?
Si7 Mg2 Si10 C38 -9.07(16) . . . . ?
Si12 Mg2 Si10 C38 -125.82(16) . . . . ?
Si9 Mg2 Si10 C38 72.14(16) . . . . ?
Si8 Mg2 Si10 C38 18.01(19) . . . . ?
N7 Mg2 Si11 N8 138.35(13) . . . . ?
N6 Mg2 Si11 N8 -69.34(14) . . . . ?
Si10 Mg2 Si11 N8 111.22(12) . . . . ?
Si7 Mg2 Si11 N8 -47.76(14) . . . . ?
Si12 Mg2 Si11 N8 2.58(12) . . . . ?
Si9 Mg2 Si11 N8 166.53(12) . . . . ?
Si8 Mg2 Si11 N8 -76.33(12) . . . . ?
N8 Mg2 Si11 C41 165.10(16) . . . . ?
N7 Mg2 Si11 C41 -56.55(12) . . . . ?
N6 Mg2 Si11 C41 95.76(13) . . . . ?
Si10 Mg2 Si11 C41 -83.68(11) . . . . ?
Si7 Mg2 Si11 C41 117.34(13) . . . . ?
Si12 Mg2 Si11 C41 167.68(11) . . . . ?
Si9 Mg2 Si11 C41 -28.37(11) . . . . ?
Si8 Mg2 Si11 C41 88.77(11) . . . . ?
N8 Mg2 Si11 C42 -92.08(17) . . . . ?
N7 Mg2 Si11 C42 46.26(13) . . . . ?
N6 Mg2 Si11 C42 -161.42(14) . . . . ?
Si10 Mg2 Si11 C42 19.13(12) . . . . ?
Si7 Mg2 Si11 C42 -139.84(13) . . . . ?
Si12 Mg2 Si11 C42 -89.51(12) . . . . ?
Si9 Mg2 Si11 C42 74.45(12) . . . . ?
Si8 Mg2 Si11 C42 -168.42(12) . . . . ?
N8 Mg2 Si11 C43 65.0(2) . . . . ?
N7 Mg2 Si11 C43 -156.70(17) . . . . ?
N6 Mg2 Si11 C43 -4.38(19) . . . . ?
Si10 Mg2 Si11 C43 176.17(16) . . . . ?
Si7 Mg2 Si11 C43 17.20(19) . . . . ?
Si12 Mg2 Si11 C43 67.53(16) . . . . ?
Si9 Mg2 Si11 C43 -128.51(16) . . . . ?
Si8 Mg2 Si11 C43 -11.38(17) . . . . ?
N7 Mg2 Si12 N8 -73.82(15) . . . . ?
N6 Mg2 Si12 N8 132.52(14) . . . . ?
Si11 Mg2 Si12 N8 -2.69(12) . . . . ?
Si10 Mg2 Si12 N8 -85.65(13) . . . . ?
Si7 Mg2 Si12 N8 160.20(13) . . . . ?
Si9 Mg2 Si12 N8 -45.29(14) . . . . ?
Si8 Mg2 Si12 N8 107.28(13) . . . . ?
N8 Mg2 Si12 C46 -179.19(16) . . . . ?
N7 Mg2 Si12 C46 106.99(13) . . . . ?
N6 Mg2 Si12 C46 -46.67(11) . . . . ?
Si11 Mg2 Si12 C46 178.12(10) . . . . ?
Si10 Mg2 Si12 C46 95.16(10) . . . . ?
Si7 Mg2 Si12 C46 -18.99(10) . . . . ?
Si9 Mg2 Si12 C46 135.52(12) . . . . ?
Si8 Mg2 Si12 C46 -71.91(10) . . . . ?
N8 Mg2 Si12 C44 79.26(18) . . . . ?
N7 Mg2 Si12 C44 5.45(16) . . . . ?
N6 Mg2 Si12 C44 -148.22(14) . . . . ?
Si11 Mg2 Si12 C44 76.57(13) . . . . ?
Si10 Mg2 Si12 C44 -6.39(14) . . . . ?
Si7 Mg2 Si12 C44 -120.54(13) . . . . ?
Si9 Mg2 Si12 C44 33.97(16) . . . . ?
Si8 Mg2 Si12 C44 -173.46(13) . . . . ?
C3 Si1 N1 Si2 -166.83(15) . . . . ?
C2 Si1 N1 Si2 70.00(18) . . . . ?
C1 Si1 N1 Si2 -47.60(16) . . . . ?
Mg1 Si1 N1 Si2 178.1(2) . . . . ?
C3 Si1 N1 Mg1 15.06(17) . . . . ?
C2 Si1 N1 Mg1 -108.12(15) . . . . ?
C1 Si1 N1 Mg1 134.29(12) . . . . ?
C6 Si2 N1 Si1 -171.04(13) . . . . ?
C4 Si2 N1 Si1 68.01(16) . . . . ?
C5 Si2 N1 Si1 -52.43(17) . . . . ?
Mg1 Si2 N1 Si1 -178.1(2) . . . . ?
C6 Si2 N1 Mg1 7.07(15) . . . . ?
C4 Si2 N1 Mg1 -113.88(13) . . . . ?
C5 Si2 N1 Mg1 125.68(12) . . . . ?
N2 Mg1 N1 Si1 50.24(14) . . . . ?
N3 Mg1 N1 Si1 -130.93(11) . . . . ?
Si5 Mg1 N1 Si1 -161.98(7) . . . . ?
Si4 Mg1 N1 Si1 19.99(15) . . . . ?
Si2 Mg1 N1 Si1 178.2(2) . . . . ?
Si3 Mg1 N1 Si1 71.50(11) . . . . ?
Si6 Mg1 N1 Si1 -107.60(10) . . . . ?
N2 Mg1 N1 Si2 -127.96(11) . . . . ?
N3 Mg1 N1 Si2 50.87(14) . . . . ?
Si5 Mg1 N1 Si2 19.82(15) . . . . ?
Si4 Mg1 N1 Si2 -158.21(7) . . . . ?
Si1 Mg1 N1 Si2 -178.2(2) . . . . ?
Si3 Mg1 N1 Si2 -106.70(10) . . . . ?
Si6 Mg1 N1 Si2 74.20(11) . . . . ?
C7 Si3 N2 Si4 -174.24(14) . . . . ?
C8 Si3 N2 Si4 -55.2(2) . . . . ?
C9 Si3 N2 Si4 65.6(2) . . . . ?
Mg1 Si3 N2 Si4 178.9(2) . . . . ?
C7 Si3 N2 Mg1 6.85(18) . . . . ?
C8 Si3 N2 Mg1 125.93(16) . . . . ?
C9 Si3 N2 Mg1 -113.27(17) . . . . ?
C11 Si4 N2 Si3 -177.08(14) . . . . ?
C10 Si4 N2 Si3 -58.16(18) . . . . ?
C12 Si4 N2 Si3 62.78(17) . . . . ?
Mg1 Si4 N2 Si3 -178.9(2) . . . . ?
C11 Si4 N2 Mg1 1.83(17) . . . . ?
C10 Si4 N2 Mg1 120.75(14) . . . . ?
C12 Si4 N2 Mg1 -118.31(14) . . . . ?
N1 Mg1 N2 Si3 50.78(15) . . . . ?
N3 Mg1 N2 Si3 -128.01(11) . . . . ?
Si5 Mg1 N2 Si3 -105.24(11) . . . . ?
Si4 Mg1 N2 Si3 179.0(2) . . . . ?
Si1 Mg1 N2 Si3 72.06(12) . . . . ?
Si2 Mg1 N2 Si3 20.84(17) . . . . ?
Si6 Mg1 N2 Si3 -160.13(7) . . . . ?
N1 Mg1 N2 Si4 -128.17(11) . . . . ?
N3 Mg1 N2 Si4 53.03(15) . . . . ?
Si5 Mg1 N2 Si4 75.81(12) . . . . ?
Si1 Mg1 N2 Si4 -106.89(11) . . . . ?
Si2 Mg1 N2 Si4 -158.11(7) . . . . ?
Si3 Mg1 N2 Si4 -179.0(2) . . . . ?
Si6 Mg1 N2 Si4 20.92(17) . . . . ?
C15 Si5 N3 Si6 62.3(2) . . . . ?
C14 Si5 N3 Si6 -178.64(14) . . . . ?
C13 Si5 N3 Si6 -59.33(19) . . . . ?
Mg1 Si5 N3 Si6 176.9(2) . . . . ?
C15 Si5 N3 Mg1 -114.57(16) . . . . ?
C14 Si5 N3 Mg1 4.49(16) . . . . ?
C13 Si5 N3 Mg1 123.80(16) . . . . ?
C18 Si6 N3 Si5 179.54(14) . . . . ?
C16 Si6 N3 Si5 59.84(17) . . . . ?
C17 Si6 N3 Si5 -59.50(17) . . . . ?
Mg1 Si6 N3 Si5 -176.8(2) . . . . ?
C18 Si6 N3 Mg1 -3.63(16) . . . . ?
C16 Si6 N3 Mg1 -123.33(13) . . . . ?
C17 Si6 N3 Mg1 117.33(14) . . . . ?
N2 Mg1 N3 Si5 52.61(14) . . . . ?
N1 Mg1 N3 Si5 -126.18(11) . . . . ?
Si4 Mg1 N3 Si5 75.32(11) . . . . ?
Si1 Mg1 N3 Si5 -155.43(7) . . . . ?
Si2 Mg1 N3 Si5 -104.68(10) . . . . ?
Si3 Mg1 N3 Si5 21.35(16) . . . . ?
Si6 Mg1 N3 Si5 177.1(2) . . . . ?
N2 Mg1 N3 Si6 -124.44(12) . . . . ?
N1 Mg1 N3 Si6 56.77(14) . . . . ?
Si5 Mg1 N3 Si6 -177.1(2) . . . . ?
Si4 Mg1 N3 Si6 -101.73(10) . . . . ?
Si1 Mg1 N3 Si6 27.52(16) . . . . ?
Si2 Mg1 N3 Si6 78.26(11) . . . . ?
Si3 Mg1 N3 Si6 -155.70(7) . . . . ?
N5 K1 N4 C20 91.08(12) . . . . ?
C16 K1 N4 C20 179.87(12) 1_455 . . . ?
N5 K1 N4 C19 -154.24(15) . . . . ?
C16 K1 N4 C19 -65.46(16) 1_455 . . . ?
N5 K1 N4 C21 -30.28(13) . . . . ?
C16 K1 N4 C21 58.51(15) 1_455 . . . ?
N4 K1 N5 C28 121.18(14) . . . . ?
C16 K1 N5 C28 0.62(14) 1_455 . . . ?
N4 K1 N5 C27 -129.76(15) . . . . ?
C16 K1 N5 C27 109.68(15) 1_455 . . . ?
N4 K1 N5 C26 6.43(13) . . . . ?
C16 K1 N5 C26 -114.12(14) 1_455 . . . ?
C34 Si8 N6 Si7 159.90(13) . . . . ?
C32 Si8 N6 Si7 41.43(19) . . . . ?
C33 Si8 N6 Si7 -79.99(17) . . . . ?
Mg2 Si8 N6 Si7 -178.1(2) . . . . ?
C34 Si8 N6 Mg2 -21.99(16) . . . . ?
C32 Si8 N6 Mg2 -140.46(15) . . . . ?
C33 Si8 N6 Mg2 98.12(15) . . . . ?
C31 Si7 N6 Si8 161.09(15) . . . . ?
C29 Si7 N6 Si8 42.14(16) . . . . ?
C30 Si7 N6 Si8 -75.66(19) . . . . ?
Mg2 Si7 N6 Si8 178.1(2) . . . . ?
C31 Si7 N6 Mg2 -17.04(17) . . . . ?
C29 Si7 N6 Mg2 -135.99(12) . . . . ?
C30 Si7 N6 Mg2 106.21(16) . . . . ?
N8 Mg2 N6 Si8 -45.46(14) . . . . ?
N7 Mg2 N6 Si8 133.56(11) . . . . ?
Si11 Mg2 N6 Si8 -14.71(16) . . . . ?
Si10 Mg2 N6 Si8 164.54(7) . . . . ?
Si7 Mg2 N6 Si8 -178.2(2) . . . . ?
Si12 Mg2 N6 Si8 -68.17(11) . . . . ?
Si9 Mg2 N6 Si8 110.96(10) . . . . ?
N8 Mg2 N6 Si7 132.73(11) . . . . ?
N7 Mg2 N6 Si7 -48.24(14) . . . . ?
Si11 Mg2 N6 Si7 163.49(7) . . . . ?
Si10 Mg2 N6 Si7 -17.26(15) . . . . ?
Si12 Mg2 N6 Si7 110.03(10) . . . . ?
Si9 Mg2 N6 Si7 -70.85(11) . . . . ?
Si8 Mg2 N6 Si7 178.2(2) . . . . ?
C39 Si10 N7 Si9 173.65(15) . . . . ?
C40 Si10 N7 Si9 -66.86(19) . . . . ?
C38 Si10 N7 Si9 53.2(2) . . . . ?
Mg2 Si10 N7 Si9 178.8(2) . . . . ?
C39 Si10 N7 Mg2 -5.17(19) . . . . ?
C40 Si10 N7 Mg2 114.33(16) . . . . ?
C38 Si10 N7 Mg2 -125.58(17) . . . . ?
C37 Si9 N7 Si10 54.9(2) . . . . ?
C35 Si9 N7 Si10 -66.5(2) . . . . ?
C36 Si9 N7 Si10 174.44(15) . . . . ?
Mg2 Si9 N7 Si10 -178.8(2) . . . . ?
C37 Si9 N7 Mg2 -126.24(17) . . . . ?
C35 Si9 N7 Mg2 112.33(19) . . . . ?
C36 Si9 N7 Mg2 -6.75(19) . . . . ?
N8 Mg2 N7 Si10 -55.94(16) . . . . ?
N6 Mg2 N7 Si10 125.06(12) . . . . ?
Si11 Mg2 N7 Si10 -77.85(12) . . . . ?
Si7 Mg2 N7 Si10 104.38(11) . . . . ?
Si12 Mg2 N7 Si10 -24.82(17) . . . . ?
Si9 Mg2 N7 Si10 178.9(2) . . . . ?
Si8 Mg2 N7 Si10 153.60(8) . . . . ?
N8 Mg2 N7 Si9 125.19(12) . . . . ?
N6 Mg2 N7 Si9 -53.81(16) . . . . ?
Si11 Mg2 N7 Si9 103.27(11) . . . . ?
Si10 Mg2 N7 Si9 -178.9(2) . . . . ?
Si7 Mg2 N7 Si9 -74.49(12) . . . . ?
Si12 Mg2 N7 Si9 156.30(8) . . . . ?
Si8 Mg2 N7 Si9 -25.27(18) . . . . ?
C46 Si12 N8 Si11 175.91(14) . . . . ?
C44 Si12 N8 Si11 55.20(19) . . . . ?
Mg2 Si12 N8 Si11 175.1(2) . . . . ?
C46 Si12 N8 Mg2 0.86(17) . . . . ?
C44 Si12 N8 Mg2 -119.86(15) . . . . ?
C41 Si11 N8 Si12 169.06(15) . . . . ?
C42 Si11 N8 Si12 -70.42(18) . . . . ?
C43 Si11 N8 Si12 50.03(19) . . . . ?
Mg2 Si11 N8 Si12 -175.2(2) . . . . ?
C41 Si11 N8 Mg2 -15.76(17) . . . . ?
C42 Si11 N8 Mg2 104.76(15) . . . . ?
C43 Si11 N8 Mg2 -134.79(15) . . . . ?
N7 Mg2 N8 Si12 125.54(12) . . . . ?
N6 Mg2 N8 Si12 -55.45(15) . . . . ?
Si11 Mg2 N8 Si12 175.4(2) . . . . ?
Si10 Mg2 N8 Si12 102.16(11) . . . . ?
Si7 Mg2 N8 Si12 -26.67(17) . . . . ?
Si9 Mg2 N8 Si12 157.33(8) . . . . ?
Si8 Mg2 N8 Si12 -74.77(12) . . . . ?
N7 Mg2 N8 Si11 -49.81(15) . . . . ?
N6 Mg2 N8 Si11 129.20(11) . . . . ?
Si10 Mg2 N8 Si11 -73.19(11) . . . . ?
Si7 Mg2 N8 Si11 157.98(7) . . . . ?
Si12 Mg2 N8 Si11 -175.4(2) . . . . ?
Si9 Mg2 N8 Si11 -18.02(16) . . . . ?
Si8 Mg2 N8 Si11 109.88(10) . . . . ?
N10 K2 N9 C48 105.67(14) . . . . ?
C45 K2 N9 C48 16.17(18) 1_655 . . . ?
N10 K2 N9 C47 -142.47(16) . . . . ?
C45 K2 N9 C47 128.03(17) 1_655 . . . ?
N10 K2 N9 C49 -12.73(13) . . . . ?
C45 K2 N9 C49 -102.24(17) 1_655 . . . ?
N9 K2 N10 C55 -137.51(16) . . . . ?
C45 K2 N10 C55 -6.38(17) 1_655 . . . ?
N9 K2 N10 C56 109.08(14) . . . . ?
C45 K2 N10 C56 -119.79(15) 1_655 . . . ?
N9 K2 N10 C54 -14.15(13) . . . . ?
C45 K2 N10 C54 116.98(15) 1_655 . . . ?
C20 N4 C21 C26 -60.4(2) . . . . ?
C19 N4 C21 C26 173.80(18) . . . . ?
K1 N4 C21 C26 52.86(19) . . . . ?
C20 N4 C21 C22 64.6(2) . . . . ?
C19 N4 C21 C22 -61.3(3) . . . . ?
K1 N4 C21 C22 177.78(15) . . . . ?
N4 C21 C22 C23 174.2(2) . . . . ?
C26 C21 C22 C23 -59.1(3) . . . . ?
C21 C22 C23 C24 56.7(3) . . . . ?
C22 C23 C24 C25 -55.1(3) . . . . ?
C23 C24 C25 C26 58.0(3) . . . . ?
C28 N5 C26 C21 -81.6(2) . . . . ?
C27 N5 C26 C21 156.10(17) . . . . ?
K1 N5 C26 C21 16.7(2) . . . . ?
C28 N5 C26 C25 42.7(2) . . . . ?
C27 N5 C26 C25 -79.6(2) . . . . ?
K1 N5 C26 C25 141.04(15) . . . . ?
N4 C21 C26 N5 -45.6(2) . . . . ?
C22 C21 C26 N5 -173.41(17) . . . . ?
N4 C21 C26 C25 -172.72(17) . . . . ?
C22 C21 C26 C25 59.4(2) . . . . ?
C24 C25 C26 N5 172.5(2) . . . . ?
C24 C25 C26 C21 -60.3(3) . . . . ?
C48 N9 C49 C50 56.4(3) . . . . ?
C47 N9 C49 C50 -66.6(2) . . . . ?
K2 N9 C49 C50 163.63(14) . . . . ?
C48 N9 C49 C54 -69.9(2) . . . . ?
C47 N9 C49 C54 167.13(19) . . . . ?
K2 N9 C49 C54 37.4(2) . . . . ?
N9 C49 C50 C51 175.51(19) . . . . ?
C54 C49 C50 C51 -57.0(3) . . . . ?
C49 C50 C51 C52 58.6(3) . . . . ?
C50 C51 C52 C53 -57.5(3) . . . . ?
C51 C52 C53 C54 58.1(3) . . . . ?
C55 N10 C54 C49 158.69(19) . . . . ?
C56 N10 C54 C49 -76.8(2) . . . . ?
K2 N10 C54 C49 38.8(2) . . . . ?
C55 N10 C54 C53 -76.2(2) . . . . ?
C56 N10 C54 C53 48.3(2) . . . . ?
K2 N10 C54 C53 163.95(14) . . . . ?
N9 C49 C54 N10 -50.5(2) . . . . ?
C50 C49 C54 N10 -179.13(18) . . . . ?
N9 C49 C54 C53 -178.01(17) . . . . ?
C50 C49 C54 C53 53.4(2) . . . . ?
C52 C53 C54 N10 177.15(19) . . . . ?
C52 C53 C54 C49 -56.0(2) . . . . ?
