# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_srbf1101

#------------------------------------------------------------
#------------COMPOUND 1 ------------------------------------
#------------------------------------------------------------

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 H45 Mg N2 Na Si4'
_chemical_formula_sum            'C16 H45 Mg N2 Na Si4'
_chemical_formula_weight         425.20

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.2943(2)
_cell_length_b                   20.5586(5)
_cell_length_c                   13.8977(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.463(2)
_cell_angle_gamma                90.00
_cell_volume                     2638.67(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    7386
_cell_measurement_theta_min      3.1931
_cell_measurement_theta_max      29.6476

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.070
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             936
_exptl_absorpt_coefficient_mu    0.269
_exptl_absorpt_correction_T_min  0.91953
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur E'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16297
_diffrn_reflns_av_R_equivalents  0.0271
_diffrn_reflns_av_sigmaI/netI    0.0412
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.89
_diffrn_reflns_theta_max         29.71
_reflns_number_total             6593
_reflns_number_gt                5257
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
;
_computing_cell_refinement       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
;
_computing_data_reduction        
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0484P)²+1.9884P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6593
_refine_ls_number_parameters     238
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0671
_refine_ls_R_factor_gt           0.0486
_refine_ls_wR_factor_ref         0.1217
_refine_ls_wR_factor_gt          0.1126
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_restrained_S_all      1.087
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Mg1 Mg 0.15131(8) 0.23651(3) 0.34108(5) 0.01888(16) Uani 1 1 d . . .
Na1 Na 0.34449(9) 0.26463(4) 0.53088(6) 0.0235(2) Uani 1 1 d . . .
N1 N 0.18638(18) 0.32667(8) 0.40700(12) 0.0179(3) Uani 1 1 d . . .
Si1 Si 0.01997(6) 0.35420(3) 0.43198(4) 0.02116(14) Uani 1 1 d . . .
C1 C -0.0731(3) 0.40848(12) 0.3361(2) 0.0344(6) Uani 1 1 d . . .
H1A H -0.0174 0.4487 0.3327 0.052 Uiso 1 1 calc R . .
H1B H -0.1706 0.4188 0.3520 0.052 Uiso 1 1 calc R . .
H1C H -0.0799 0.3862 0.2734 0.052 Uiso 1 1 calc R . .
C2 C 0.0229(3) 0.39872(13) 0.54957(19) 0.0354(6) Uani 1 1 d . . .
H2A H 0.0701 0.4410 0.5445 0.053 Uiso 1 1 calc R . .
H2B H 0.0766 0.3731 0.6012 0.053 Uiso 1 1 calc R . .
H2C H -0.0766 0.4053 0.5646 0.053 Uiso 1 1 calc R . .
C3 C -0.1045(3) 0.28255(12) 0.4388(2) 0.0352(6) Uani 1 1 d . . .
H3A H -0.0584 0.2505 0.4845 0.053 Uiso 1 1 calc R . .
H3B H -0.1242 0.2627 0.3746 0.053 Uiso 1 1 calc R . .
H3C H -0.1956 0.2972 0.4609 0.053 Uiso 1 1 calc R . .
Si2 Si 0.31050(6) 0.38015(3) 0.36917(4) 0.01842(13) Uani 1 1 d . . .
C4 C 0.3023(3) 0.46468(11) 0.41876(18) 0.0289(5) Uani 1 1 d . . .
H4A H 0.2077 0.4839 0.3971 0.043 Uiso 1 1 calc R . .
H4B H 0.3788 0.4912 0.3954 0.043 Uiso 1 1 calc R . .
H4C H 0.3161 0.4631 0.4897 0.043 Uiso 1 1 calc R . .
C5 C 0.5003(2) 0.35223(12) 0.41189(19) 0.0318(5) Uani 1 1 d . . .
H5A H 0.5120 0.3068 0.3929 0.048 Uiso 1 1 calc R . .
H5B H 0.5175 0.3559 0.4826 0.048 Uiso 1 1 calc R . .
H5C H 0.5700 0.3795 0.3824 0.048 Uiso 1 1 calc R . .
C6 C 0.2931(3) 0.38708(12) 0.23372(17) 0.0308(5) Uani 1 1 d . . .
H6A H 0.1968 0.4039 0.2102 0.046 Uiso 1 1 calc R . .
H6B H 0.3062 0.3441 0.2054 0.046 Uiso 1 1 calc R . .
H6C H 0.3672 0.4169 0.2148 0.046 Uiso 1 1 calc R . .
N2 N 0.26266(18) 0.16996(8) 0.43230(12) 0.0176(3) Uani 1 1 d . . .
Si3 Si 0.40470(6) 0.14255(3) 0.37517(4) 0.02068(14) Uani 1 1 d . . .
C7 C 0.4172(3) 0.19531(12) 0.26513(18) 0.0340(6) Uani 1 1 d . . .
H7A H 0.3410 0.1829 0.2139 0.051 Uiso 1 1 calc R . .
H7B H 0.5121 0.1894 0.2421 0.051 Uiso 1 1 calc R . .
H7C H 0.4048 0.2410 0.2824 0.051 Uiso 1 1 calc R . .
C8 C 0.3899(3) 0.05758(12) 0.3272(2) 0.0387(6) Uani 1 1 d . . .
H8A H 0.4019 0.0268 0.3813 0.058 Uiso 1 1 calc R . .
H8B H 0.4654 0.0501 0.2847 0.058 Uiso 1 1 calc R . .
H8C H 0.2945 0.0514 0.2906 0.058 Uiso 1 1 calc R . .
C9 C 0.5822(3) 0.14913(14) 0.4530(2) 0.0379(6) Uani 1 1 d . . .
H9A H 0.5782 0.1238 0.5124 0.057 Uiso 1 1 calc R . .
H9B H 0.6017 0.1948 0.4697 0.057 Uiso 1 1 calc R . .
H9C H 0.6596 0.1322 0.4176 0.057 Uiso 1 1 calc R . .
Si4 Si 0.18313(6) 0.12651(3) 0.51785(4) 0.02029(14) Uani 1 1 d . . .
C10 C 0.1539(3) 0.18017(12) 0.62425(17) 0.0309(5) Uani 1 1 d . . .
H10A H 0.1028 0.2198 0.6009 0.046 Uiso 1 1 calc R . .
H10B H 0.2478 0.1918 0.6593 0.046 Uiso 1 1 calc R . .
H10C H 0.0960 0.1567 0.6677 0.046 Uiso 1 1 calc R . .
C11 C 0.0005(3) 0.09383(13) 0.4722(2) 0.0375(6) Uani 1 1 d . . .
H11A H 0.0109 0.0597 0.4242 0.056 Uiso 1 1 calc R . .
H11B H -0.0598 0.1290 0.4420 0.056 Uiso 1 1 calc R . .
H11C H -0.0453 0.0756 0.5263 0.056 Uiso 1 1 calc R . .
C12 C 0.2929(3) 0.05602(12) 0.5699(2) 0.0378(6) Uani 1 1 d . . .
H12A H 0.2937 0.0218 0.5208 0.057 Uiso 1 1 calc R . .
H12B H 0.2502 0.0389 0.6261 0.057 Uiso 1 1 calc R . .
H12C H 0.3923 0.0703 0.5900 0.057 Uiso 1 1 calc R . .
C13 C 0.0148(3) 0.22062(12) 0.20725(17) 0.0290(5) Uani 1 1 d . . .
C14 C -0.0921(3) 0.16376(12) 0.20839(19) 0.0373(6) Uani 1 1 d . . .
H14A H -0.1477 0.1688 0.2646 0.045 Uiso 1 1 calc R . .
H14B H -0.1616 0.1656 0.1490 0.045 Uiso 1 1 calc R . .
C15 C -0.0203(3) 0.09951(14) 0.2139(2) 0.0446(7) Uani 1 1 d . . .
H15A H 0.0534 0.0988 0.2712 0.054 Uiso 1 1 calc R . .
H15B H 0.0307 0.0936 0.1557 0.054 Uiso 1 1 calc R . .
C16 C -0.1255(4) 0.04190(14) 0.2211(2) 0.0528(8) Uani 1 1 d . . .
H16A H -0.1792 0.0481 0.2771 0.079 Uiso 1 1 calc R . .
H16B H -0.0704 0.0012 0.2286 0.079 Uiso 1 1 calc R . .
H16C H -0.1937 0.0398 0.1620 0.079 Uiso 1 1 calc R . .
H13A H 0.070(3) 0.2163(13) 0.155(2) 0.030(7) Uiso 1 1 d . . .
H13B H -0.049(3) 0.2600(15) 0.195(2) 0.050(9) Uiso 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Mg1 N2 2.0626(17) . ?
Mg1 N1 2.0770(18) . ?
Mg1 C13 2.155(2) . ?
Mg1 Si3 3.0415(9) . ?
Mg1 Si1 3.0475(9) . ?
Mg1 Na1 3.0740(11) . ?
Na1 N2 2.4513(19) . ?
Na1 N1 2.4860(18) . ?
Na1 C13 2.781(2) 4_666 ?
Na1 C14 2.876(3) 4_666 ?
Na1 Si4 3.2069(10) . ?
Na1 Si2 3.2604(10) . ?
Na1 Si3 3.4012(10) . ?
N1 Si2 1.7183(18) . ?
N1 Si1 1.7187(18) . ?
Si1 C2 1.871(3) . ?
Si1 C1 1.873(2) . ?
Si1 C3 1.882(2) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
Si2 C4 1.874(2) . ?
Si2 C6 1.877(2) . ?
Si2 C5 1.886(2) . ?
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 . ?
N2 Si3 1.7108(18) . ?
N2 Si4 1.7194(18) . ?
Si3 C8 1.869(2) . ?
Si3 C9 1.873(3) . ?
Si3 C7 1.889(3) . ?
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 . ?
Si4 C11 1.869(3) . ?
Si4 C12 1.870(2) . ?
Si4 C10 1.889(2) . ?
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 C14 1.535(3) . ?
C13 Na1 2.781(2) 4_565 ?
C13 H13A 0.94(3) . ?
C13 H13B 1.00(3) . ?
C14 C15 1.478(4) . ?
C14 Na1 2.876(3) 4_565 ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.546(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?

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
N2 Mg1 N1 106.13(7) . . ?
N2 Mg1 C13 129.48(9) . . ?
N1 Mg1 C13 124.32(9) . . ?
N2 Mg1 Si3 32.53(5) . . ?
N1 Mg1 Si3 114.69(5) . . ?
C13 Mg1 Si3 114.11(8) . . ?
N2 Mg1 Si1 117.94(6) . . ?
N1 Mg1 Si1 32.75(5) . . ?
C13 Mg1 Si1 104.70(8) . . ?
Si3 Mg1 Si1 141.16(3) . . ?
N2 Mg1 Na1 52.64(5) . . ?
N1 Mg1 Na1 53.57(5) . . ?
C13 Mg1 Na1 177.88(7) . . ?
Si3 Mg1 Na1 67.58(2) . . ?
Si1 Mg1 Na1 73.59(2) . . ?
N2 Na1 N1 84.16(6) . . ?
N2 Na1 C13 133.57(7) . 4_666 ?
N1 Na1 C13 142.00(7) . 4_666 ?
N2 Na1 C14 155.02(8) . 4_666 ?
N1 Na1 C14 112.30(7) . 4_666 ?
C13 Na1 C14 31.44(7) 4_666 4_666 ?
N2 Na1 Mg1 41.98(4) . . ?
N1 Na1 Mg1 42.24(4) . . ?
C13 Na1 Mg1 175.17(6) 4_666 . ?
C14 Na1 Mg1 151.13(6) 4_666 . ?
N2 Na1 Si4 31.97(4) . . ?
N1 Na1 Si4 100.31(5) . . ?
C13 Na1 Si4 111.25(6) 4_666 . ?
C14 Na1 Si4 123.44(7) 4_666 . ?
Mg1 Na1 Si4 63.94(2) . . ?
N2 Na1 Si2 101.14(5) . . ?
N1 Na1 Si2 31.26(4) . . ?
C13 Na1 Si2 121.98(6) 4_666 . ?
C14 Na1 Si2 102.30(6) 4_666 . ?
Mg1 Na1 Si2 62.85(2) . . ?
Si4 Na1 Si2 126.70(3) . . ?
N2 Na1 Si3 28.53(4) . . ?
N1 Na1 Si3 93.71(5) . . ?
C13 Na1 Si3 121.55(6) 4_666 . ?
C14 Na1 Si3 152.98(6) 4_666 . ?
Mg1 Na1 Si3 55.76(2) . . ?
Si4 Na1 Si3 54.55(2) . . ?
Si2 Na1 Si3 96.26(3) . . ?
Si2 N1 Si1 120.10(10) . . ?
Si2 N1 Mg1 120.89(9) . . ?
Si1 N1 Mg1 106.43(9) . . ?
Si2 N1 Na1 100.10(8) . . ?
Si1 N1 Na1 120.29(9) . . ?
Mg1 N1 Na1 84.19(6) . . ?
N1 Si1 C2 114.38(11) . . ?
N1 Si1 C1 113.98(10) . . ?
C2 Si1 C1 106.87(12) . . ?
N1 Si1 C3 108.93(10) . . ?
C2 Si1 C3 106.70(13) . . ?
C1 Si1 C3 105.37(12) . . ?
C2 Si1 Mg1 141.58(9) . . ?
C1 Si1 Mg1 110.63(9) . . ?
C3 Si1 Mg1 71.13(8) . . ?
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 . . ?
N1 Si2 C4 115.10(10) . . ?
N1 Si2 C6 111.75(10) . . ?
C4 Si2 C6 107.22(11) . . ?
N1 Si2 C5 110.20(10) . . ?
C4 Si2 C5 103.99(11) . . ?
C6 Si2 C5 108.10(12) . . ?
N1 Si2 Na1 48.65(6) . . ?
C4 Si2 Na1 115.26(8) . . ?
C6 Si2 Na1 137.52(8) . . ?
C5 Si2 Na1 63.05(8) . . ?
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 N2 Si4 124.34(10) . . ?
Si3 N2 Mg1 107.05(9) . . ?
Si4 N2 Mg1 123.00(9) . . ?
Si3 N2 Na1 108.30(8) . . ?
Si4 N2 Na1 99.01(8) . . ?
Mg1 N2 Na1 85.38(6) . . ?
N2 Si3 C8 116.33(11) . . ?
N2 Si3 C9 112.57(11) . . ?
C8 Si3 C9 107.34(12) . . ?
N2 Si3 C7 107.90(10) . . ?
C8 Si3 C7 104.89(12) . . ?
C9 Si3 C7 107.20(13) . . ?
C8 Si3 Mg1 120.88(9) . . ?
C9 Si3 Mg1 131.33(9) . . ?
C7 Si3 Mg1 68.05(8) . . ?
C8 Si3 Na1 154.91(10) . . ?
C9 Si3 Na1 77.10(9) . . ?
C7 Si3 Na1 96.94(8) . . ?
Mg1 Si3 Na1 56.66(2) . . ?
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 . . ?
N2 Si4 C11 113.36(10) . . ?
N2 Si4 C12 114.30(11) . . ?
C11 Si4 C12 106.73(12) . . ?
N2 Si4 C10 110.42(10) . . ?
C11 Si4 C10 105.71(12) . . ?
C12 Si4 C10 105.68(12) . . ?
N2 Si4 Na1 49.02(6) . . ?
C11 Si4 Na1 137.61(9) . . ?
C12 Si4 Na1 115.66(9) . . ?
C10 Si4 Na1 63.02(8) . . ?
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 . . ?
C14 C13 Mg1 115.17(16) . . ?
C14 C13 Na1 77.72(13) . 4_565 ?
Mg1 C13 Na1 164.94(12) . 4_565 ?
C14 C13 H13A 110.1(16) . . ?
Mg1 C13 H13A 111.5(16) . . ?
Na1 C13 H13A 68.4(16) 4_565 . ?
C14 C13 H13B 104.3(18) . . ?
Mg1 C13 H13B 107.6(17) . . ?
Na1 C13 H13B 59.8(17) 4_565 . ?
H13A C13 H13B 108(2) . . ?
C15 C14 C13 113.1(2) . . ?
C15 C14 Na1 123.34(19) . 4_565 ?
C13 C14 Na1 70.84(12) . 4_565 ?
C15 C14 H14A 109.0 . . ?
C13 C14 H14A 109.0 . . ?
Na1 C14 H14A 123.3 4_565 . ?
C15 C14 H14B 109.0 . . ?
C13 C14 H14B 109.0 . . ?
H14A C14 H14B 107.8 . . ?
C14 C15 C16 113.7(3) . . ?
C14 C15 H15A 108.8 . . ?
C16 C15 H15A 108.8 . . ?
C14 C15 H15B 108.8 . . ?
C16 C15 H15B 108.8 . . ?
H15A C15 H15B 107.7 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 Mg1 Na1 N2 176.33(9) . . . . ?
Si3 Mg1 Na1 N2 -33.65(6) . . . . ?
Si1 Mg1 Na1 N2 147.07(7) . . . . ?
N2 Mg1 Na1 N1 -176.33(9) . . . . ?
Si3 Mg1 Na1 N1 150.02(7) . . . . ?
Si1 Mg1 Na1 N1 -29.26(6) . . . . ?
N2 Mg1 Na1 C14 -142.28(16) . . . 4_666 ?
N1 Mg1 Na1 C14 34.04(15) . . . 4_666 ?
Si3 Mg1 Na1 C14 -175.93(15) . . . 4_666 ?
Si1 Mg1 Na1 C14 4.78(14) . . . 4_666 ?
N2 Mg1 Na1 Si4 -29.73(6) . . . . ?
N1 Mg1 Na1 Si4 146.60(7) . . . . ?
Si3 Mg1 Na1 Si4 -63.38(2) . . . . ?
Si1 Mg1 Na1 Si4 117.34(3) . . . . ?
N2 Mg1 Na1 Si2 153.48(7) . . . . ?
N1 Mg1 Na1 Si2 -30.20(6) . . . . ?
Si3 Mg1 Na1 Si2 119.83(3) . . . . ?
Si1 Mg1 Na1 Si2 -59.46(2) . . . . ?
N2 Mg1 Na1 Si3 33.65(6) . . . . ?
N1 Mg1 Na1 Si3 -150.02(7) . . . . ?
Si1 Mg1 Na1 Si3 -179.29(3) . . . . ?
N2 Mg1 N1 Si2 101.34(11) . . . . ?
C13 Mg1 N1 Si2 -81.37(14) . . . . ?
Si3 Mg1 N1 Si2 67.75(11) . . . . ?
Si1 Mg1 N1 Si2 -141.79(16) . . . . ?
Na1 Mg1 N1 Si2 98.31(11) . . . . ?
N2 Mg1 N1 Si1 -116.87(9) . . . . ?
C13 Mg1 N1 Si1 60.42(14) . . . . ?
Si3 Mg1 N1 Si1 -150.46(6) . . . . ?
Na1 Mg1 N1 Si1 -119.91(10) . . . . ?
N2 Mg1 N1 Na1 3.04(8) . . . . ?
C13 Mg1 N1 Na1 -179.68(10) . . . . ?
Si3 Mg1 N1 Na1 -30.55(6) . . . . ?
Si1 Mg1 N1 Na1 119.91(10) . . . . ?
N2 Na1 N1 Si2 -122.87(8) . . . . ?
C13 Na1 N1 Si2 63.20(15) 4_666 . . . ?
C14 Na1 N1 Si2 76.58(10) 4_666 . . . ?
Mg1 Na1 N1 Si2 -120.40(10) . . . . ?
Si4 Na1 N1 Si2 -150.58(6) . . . . ?
Si3 Na1 N1 Si2 -95.95(7) . . . . ?
N2 Na1 N1 Si1 103.19(10) . . . . ?
C13 Na1 N1 Si1 -70.74(16) 4_666 . . . ?
C14 Na1 N1 Si1 -57.35(13) 4_666 . . . ?
Mg1 Na1 N1 Si1 105.66(11) . . . . ?
Si4 Na1 N1 Si1 75.48(10) . . . . ?
Si2 Na1 N1 Si1 -133.94(14) . . . . ?
Si3 Na1 N1 Si1 130.11(9) . . . . ?
N2 Na1 N1 Mg1 -2.47(6) . . . . ?
C13 Na1 N1 Mg1 -176.40(11) 4_666 . . . ?
C14 Na1 N1 Mg1 -163.01(8) 4_666 . . . ?
Si4 Na1 N1 Mg1 -30.18(6) . . . . ?
Si2 Na1 N1 Mg1 120.40(10) . . . . ?
Si3 Na1 N1 Mg1 24.45(5) . . . . ?
Si2 N1 Si1 C2 -75.54(14) . . . . ?
Mg1 N1 Si1 C2 142.31(11) . . . . ?
Na1 N1 Si1 C2 49.43(14) . . . . ?
Si2 N1 Si1 C1 47.85(15) . . . . ?
Mg1 N1 Si1 C1 -94.31(12) . . . . ?
Na1 N1 Si1 C1 172.82(11) . . . . ?
Si2 N1 Si1 C3 165.19(13) . . . . ?
Mg1 N1 Si1 C3 23.04(13) . . . . ?
Na1 N1 Si1 C3 -69.84(13) . . . . ?
Si2 N1 Si1 Mg1 142.15(16) . . . . ?
Na1 N1 Si1 Mg1 -92.87(11) . . . . ?
N2 Mg1 Si1 N1 75.92(11) . . . . ?
C13 Mg1 Si1 N1 -132.06(12) . . . . ?
Si3 Mg1 Si1 N1 45.59(10) . . . . ?
Na1 Mg1 Si1 N1 46.64(9) . . . . ?
N2 Mg1 Si1 C2 12.26(16) . . . . ?
N1 Mg1 Si1 C2 -63.67(16) . . . . ?
C13 Mg1 Si1 C2 164.28(16) . . . . ?
Si3 Mg1 Si1 C2 -18.08(15) . . . . ?
Na1 Mg1 Si1 C2 -17.03(14) . . . . ?
N2 Mg1 Si1 C1 179.12(10) . . . . ?
N1 Mg1 Si1 C1 103.20(13) . . . . ?
C13 Mg1 Si1 C1 -28.85(12) . . . . ?
Si3 Mg1 Si1 C1 148.79(9) . . . . ?
Na1 Mg1 Si1 C1 149.84(9) . . . . ?
N2 Mg1 Si1 C3 -81.05(11) . . . . ?
N1 Mg1 Si1 C3 -156.97(13) . . . . ?
C13 Mg1 Si1 C3 70.97(12) . . . . ?
Si3 Mg1 Si1 C3 -111.38(10) . . . . ?
Na1 Mg1 Si1 C3 -110.33(9) . . . . ?
Si1 N1 Si2 C4 31.62(15) . . . . ?
Mg1 N1 Si2 C4 168.32(11) . . . . ?
Na1 N1 Si2 C4 -102.44(10) . . . . ?
Si1 N1 Si2 C6 -90.99(13) . . . . ?
Mg1 N1 Si2 C6 45.72(14) . . . . ?
Na1 N1 Si2 C6 134.96(10) . . . . ?
Si1 N1 Si2 C5 148.80(12) . . . . ?
Mg1 N1 Si2 C5 -74.50(13) . . . . ?
Na1 N1 Si2 C5 14.74(12) . . . . ?
Si1 N1 Si2 Na1 134.05(14) . . . . ?
Mg1 N1 Si2 Na1 -89.24(10) . . . . ?
N2 Na1 Si2 N1 58.38(9) . . . . ?
C13 Na1 Si2 N1 -139.62(11) 4_666 . . . ?
C14 Na1 Si2 N1 -112.91(10) 4_666 . . . ?
Mg1 Na1 Si2 N1 40.66(8) . . . . ?
Si4 Na1 Si2 N1 37.07(8) . . . . ?
Si3 Na1 Si2 N1 86.83(8) . . . . ?
N2 Na1 Si2 C4 160.49(10) . . . . ?
N1 Na1 Si2 C4 102.10(12) . . . . ?
C13 Na1 Si2 C4 -37.52(12) 4_666 . . . ?
C14 Na1 Si2 C4 -10.81(11) 4_666 . . . ?
Mg1 Na1 Si2 C4 142.76(9) . . . . ?
Si4 Na1 Si2 C4 139.17(9) . . . . ?
Si3 Na1 Si2 C4 -171.06(9) . . . . ?
N2 Na1 Si2 C6 -18.31(14) . . . . ?
N1 Na1 Si2 C6 -76.69(15) . . . . ?
C13 Na1 Si2 C6 143.69(14) 4_666 . . . ?
C14 Na1 Si2 C6 170.39(14) 4_666 . . . ?
Mg1 Na1 Si2 C6 -36.03(13) . . . . ?
Si4 Na1 Si2 C6 -39.63(14) . . . . ?
Si3 Na1 Si2 C6 10.14(13) . . . . ?
N2 Na1 Si2 C5 -106.08(10) . . . . ?
N1 Na1 Si2 C5 -164.46(12) . . . . ?
C13 Na1 Si2 C5 55.92(12) 4_666 . . . ?
C14 Na1 Si2 C5 82.63(11) 4_666 . . . ?
Mg1 Na1 Si2 C5 -123.80(9) . . . . ?
Si4 Na1 Si2 C5 -127.39(10) . . . . ?
Si3 Na1 Si2 C5 -77.63(9) . . . . ?
N1 Mg1 N2 Si3 -110.81(9) . . . . ?
C13 Mg1 N2 Si3 72.09(14) . . . . ?
Si1 Mg1 N2 Si3 -143.92(6) . . . . ?
Na1 Mg1 N2 Si3 -107.74(10) . . . . ?
N1 Mg1 N2 Si4 94.67(11) . . . . ?
C13 Mg1 N2 Si4 -82.42(15) . . . . ?
Si3 Mg1 N2 Si4 -154.52(17) . . . . ?
Si1 Mg1 N2 Si4 61.57(12) . . . . ?
Na1 Mg1 N2 Si4 97.75(11) . . . . ?
N1 Mg1 N2 Na1 -3.07(8) . . . . ?
C13 Mg1 N2 Na1 179.83(11) . . . . ?
Si3 Mg1 N2 Na1 107.74(10) . . . . ?
Si1 Mg1 N2 Na1 -36.18(7) . . . . ?
N1 Na1 N2 Si3 108.93(9) . . . . ?
C13 Na1 N2 Si3 -76.23(13) 4_666 . . . ?
C14 Na1 N2 Si3 -117.93(17) 4_666 . . . ?
Mg1 Na1 N2 Si3 106.45(10) . . . . ?
Si4 Na1 N2 Si3 -130.84(12) . . . . ?
Si2 Na1 N2 Si3 82.56(8) . . . . ?
N1 Na1 N2 Si4 -120.23(8) . . . . ?
C13 Na1 N2 Si4 54.61(13) 4_666 . . . ?
C14 Na1 N2 Si4 12.9(2) 4_666 . . . ?
Mg1 Na1 N2 Si4 -122.71(10) . . . . ?
Si2 Na1 N2 Si4 -146.60(6) . . . . ?
Si3 Na1 N2 Si4 130.84(12) . . . . ?
N1 Na1 N2 Mg1 2.48(6) . . . . ?
C13 Na1 N2 Mg1 177.32(9) 4_666 . . . ?
C14 Na1 N2 Mg1 135.62(16) 4_666 . . . ?
Si4 Na1 N2 Mg1 122.71(10) . . . . ?
Si2 Na1 N2 Mg1 -23.89(6) . . . . ?
Si3 Na1 N2 Mg1 -106.45(10) . . . . ?
Si4 N2 Si3 C8 46.50(17) . . . . ?
Mg1 N2 Si3 C8 -107.59(12) . . . . ?
Na1 N2 Si3 C8 161.68(11) . . . . ?
Si4 N2 Si3 C9 -77.97(15) . . . . ?
Mg1 N2 Si3 C9 127.94(11) . . . . ?
Na1 N2 Si3 C9 37.21(13) . . . . ?
Si4 N2 Si3 C7 163.95(13) . . . . ?
Mg1 N2 Si3 C7 9.86(13) . . . . ?
Na1 N2 Si3 C7 -80.87(11) . . . . ?
Si4 N2 Si3 Mg1 154.09(17) . . . . ?
Na1 N2 Si3 Mg1 -90.73(9) . . . . ?
Si4 N2 Si3 Na1 -115.18(14) . . . . ?
Mg1 N2 Si3 Na1 90.73(9) . . . . ?
N1 Mg1 Si3 N2 81.24(11) . . . . ?
C13 Mg1 Si3 N2 -126.42(12) . . . . ?
Si1 Mg1 Si3 N2 56.07(10) . . . . ?
Na1 Mg1 Si3 N2 54.98(9) . . . . ?
N2 Mg1 Si3 C8 95.44(14) . . . . ?
N1 Mg1 Si3 C8 176.68(12) . . . . ?
C13 Mg1 Si3 C8 -30.99(14) . . . . ?
Si1 Mg1 Si3 C8 151.51(11) . . . . ?
Na1 Mg1 Si3 C8 150.42(11) . . . . ?
N2 Mg1 Si3 C9 -75.87(15) . . . . ?
N1 Mg1 Si3 C9 5.38(14) . . . . ?
C13 Mg1 Si3 C9 157.71(14) . . . . ?
Si1 Mg1 Si3 C9 -19.79(14) . . . . ?
Na1 Mg1 Si3 C9 -20.88(12) . . . . ?
N2 Mg1 Si3 C7 -169.88(13) . . . . ?
N1 Mg1 Si3 C7 -88.64(11) . . . . ?
C13 Mg1 Si3 C7 63.70(12) . . . . ?
Si1 Mg1 Si3 C7 -113.81(10) . . . . ?
Na1 Mg1 Si3 C7 -114.90(9) . . . . ?
N2 Mg1 Si3 Na1 -54.98(9) . . . . ?
N1 Mg1 Si3 Na1 26.26(6) . . . . ?
C13 Mg1 Si3 Na1 178.59(8) . . . . ?
Si1 Mg1 Si3 Na1 1.09(4) . . . . ?
N1 Na1 Si3 N2 -70.56(9) . . . . ?
C13 Na1 Si3 N2 124.34(11) 4_666 . . . ?
C14 Na1 Si3 N2 124.78(17) 4_666 . . . ?
Mg1 Na1 Si3 N2 -50.89(8) . . . . ?
Si4 Na1 Si3 N2 29.46(8) . . . . ?
Si2 Na1 Si3 N2 -101.84(9) . . . . ?
N2 Na1 Si3 C8 -41.6(2) . . . . ?
N1 Na1 Si3 C8 -112.2(2) . . . . ?
C13 Na1 Si3 C8 82.7(2) 4_666 . . . ?
C14 Na1 Si3 C8 83.2(3) 4_666 . . . ?
Mg1 Na1 Si3 C8 -92.5(2) . . . . ?
Si4 Na1 Si3 C8 -12.2(2) . . . . ?
Si2 Na1 Si3 C8 -143.5(2) . . . . ?
N2 Na1 Si3 C9 -145.05(12) . . . . ?
N1 Na1 Si3 C9 144.39(10) . . . . ?
C13 Na1 Si3 C9 -20.71(12) 4_666 . . . ?
C14 Na1 Si3 C9 -20.27(18) 4_666 . . . ?
Mg1 Na1 Si3 C9 164.06(9) . . . . ?
Si4 Na1 Si3 C9 -115.59(9) . . . . ?
Si2 Na1 Si3 C9 113.12(9) . . . . ?
N2 Na1 Si3 C7 108.83(12) . . . . ?
N1 Na1 Si3 C7 38.27(10) . . . . ?
C13 Na1 Si3 C7 -126.83(11) 4_666 . . . ?
C14 Na1 Si3 C7 -126.39(17) 4_666 . . . ?
Mg1 Na1 Si3 C7 57.94(9) . . . . ?
Si4 Na1 Si3 C7 138.29(9) . . . . ?
Si2 Na1 Si3 C7 7.00(9) . . . . ?
N2 Na1 Si3 Mg1 50.89(8) . . . . ?
N1 Na1 Si3 Mg1 -19.67(4) . . . . ?
C13 Na1 Si3 Mg1 175.23(8) 4_666 . . . ?
C14 Na1 Si3 Mg1 175.67(16) 4_666 . . . ?
Si4 Na1 Si3 Mg1 80.35(3) . . . . ?
Si2 Na1 Si3 Mg1 -50.94(2) . . . . ?
Si3 N2 Si4 C11 -106.79(15) . . . . ?
Mg1 N2 Si4 C11 43.33(15) . . . . ?
Na1 N2 Si4 C11 133.66(11) . . . . ?
Si3 N2 Si4 C12 15.84(17) . . . . ?
Mg1 N2 Si4 C12 165.96(12) . . . . ?
Na1 N2 Si4 C12 -103.71(11) . . . . ?
Si3 N2 Si4 C10 134.82(13) . . . . ?
Mg1 N2 Si4 C10 -75.06(14) . . . . ?
Na1 N2 Si4 C10 15.27(11) . . . . ?
Si3 N2 Si4 Na1 119.55(14) . . . . ?
Mg1 N2 Si4 Na1 -90.33(11) . . . . ?
N1 Na1 Si4 N2 60.88(9) . . . . ?
C13 Na1 Si4 N2 -140.67(10) 4_666 . . . ?
C14 Na1 Si4 N2 -173.51(10) 4_666 . . . ?
Mg1 Na1 Si4 N2 38.79(8) . . . . ?
Si2 Na1 Si4 N2 42.35(8) . . . . ?
Si3 Na1 Si4 N2 -26.33(7) . . . . ?
N2 Na1 Si4 C11 -80.07(16) . . . . ?
N1 Na1 Si4 C11 -19.19(15) . . . . ?
C13 Na1 Si4 C11 139.26(15) 4_666 . . . ?
C14 Na1 Si4 C11 106.42(15) 4_666 . . . ?
Mg1 Na1 Si4 C11 -41.29(14) . . . . ?
Si2 Na1 Si4 C11 -37.73(15) . . . . ?
Si3 Na1 Si4 C11 -106.40(14) . . . . ?
N2 Na1 Si4 C12 100.81(13) . . . . ?
N1 Na1 Si4 C12 161.69(11) . . . . ?
C13 Na1 Si4 C12 -39.86(12) 4_666 . . . ?
C14 Na1 Si4 C12 -72.70(12) 4_666 . . . ?
Mg1 Na1 Si4 C12 139.60(10) . . . . ?
Si2 Na1 Si4 C12 143.16(10) . . . . ?
Si3 Na1 Si4 C12 74.48(10) . . . . ?
N2 Na1 Si4 C10 -163.92(12) . . . . ?
N1 Na1 Si4 C10 -103.04(10) . . . . ?
C13 Na1 Si4 C10 55.41(11) 4_666 . . . ?
C14 Na1 Si4 C10 22.57(11) 4_666 . . . ?
Mg1 Na1 Si4 C10 -125.13(9) . . . . ?
Si2 Na1 Si4 C10 -121.57(10) . . . . ?
Si3 Na1 Si4 C10 169.76(9) . . . . ?
N2 Mg1 C13 C14 44.1(3) . . . . ?
N1 Mg1 C13 C14 -132.47(19) . . . . ?
Si3 Mg1 C13 C14 78.2(2) . . . . ?
Si1 Mg1 C13 C14 -103.4(2) . . . . ?
N2 Mg1 C13 Na1 -168.5(5) . . . 4_565 ?
N1 Mg1 C13 Na1 14.8(6) . . . 4_565 ?
Si3 Mg1 C13 Na1 -134.4(5) . . . 4_565 ?
Si1 Mg1 C13 Na1 43.9(5) . . . 4_565 ?
Mg1 C13 C14 C15 -69.3(3) . . . . ?
Na1 C13 C14 C15 119.0(2) 4_565 . . . ?
Mg1 C13 C14 Na1 171.74(17) . . . 4_565 ?
C13 C14 C15 C16 176.7(2) . . . . ?
Na1 C14 C15 C16 -101.8(3) 4_565 . . . ?

_diffrn_measured_fraction_theta_max 0.879
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.896
_refine_diff_density_min         -0.527
_refine_diff_density_rms         0.065
_database_code_depnum_ccdc_archive 'CCDC 993041'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
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data_pgagem40

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H83 Mg N7 Na Si6'
_chemical_formula_weight         757.87

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mg Mg 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'

_symmetry_cell_setting           TRICLINIC
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.8176(10)
_cell_length_b                   11.9680(11)
_cell_length_c                   18.4164(16)
_cell_angle_alpha                94.913(7)
_cell_angle_beta                 99.478(7)
_cell_angle_gamma                103.922(8)
_cell_volume                     2472.2(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    6004
_cell_measurement_theta_min      2.8284
_cell_measurement_theta_max      31.3125

_exptl_crystal_description       fragment
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.018
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             838
_exptl_absorpt_coefficient_mu    0.216
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.98745
_exptl_absorpt_correction_T_max  1.00000
_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_special_details           
;
 ?
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Oxford Diffraction Gemini S'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            24497
_diffrn_reflns_av_R_equivalents  0.0438
_diffrn_reflns_av_sigmaI/netI    0.1140
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.83
_diffrn_reflns_theta_max         29.00
_reflns_number_total             13120
_reflns_number_gt                7499
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0408P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         13120
_refine_ls_number_parameters     454
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0927
_refine_ls_R_factor_gt           0.0467
_refine_ls_wR_factor_ref         0.1015
_refine_ls_wR_factor_gt          0.0944
_refine_ls_goodness_of_fit_ref   0.864
_refine_ls_restrained_S_all      0.864
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Mg1 Mg 0.45390(5) 0.54410(5) 0.24328(3) 0.01730(15) Uani 1 1 d . . .
Na1 Na 0.0000 0.0000 0.0000 0.0496(4) Uani 1 2 d S . .
Na2 Na 0.0000 0.0000 0.5000 0.0335(3) Uani 1 2 d S . .
Si1 Si 0.49558(5) 0.30828(5) 0.29650(3) 0.02437(14) Uani 1 1 d . . .
Si2 Si 0.69700(5) 0.46704(5) 0.24776(3) 0.02355(14) Uani 1 1 d . . .
Si3 Si 0.57459(5) 0.75505(5) 0.37415(3) 0.02257(14) Uani 1 1 d . . .
Si4 Si 0.49525(5) 0.81347(5) 0.22329(3) 0.02295(14) Uani 1 1 d . . .
Si5 Si 0.27183(5) 0.42737(5) 0.09120(3) 0.02451(14) Uani 1 1 d . . .
Si6 Si 0.17000(5) 0.49600(5) 0.22152(3) 0.02128(13) Uani 1 1 d . . .
N1 N 0.55755(13) 0.43535(14) 0.26668(9) 0.0199(4) Uani 1 1 d . . .
N2 N 0.51556(13) 0.71511(14) 0.28245(9) 0.0199(4) Uani 1 1 d . . .
N3 N 0.28759(13) 0.48470(14) 0.18133(8) 0.0188(4) Uani 1 1 d . . .
N4 N -0.19005(17) 0.05091(18) 0.02454(11) 0.0378(5) Uani 1 1 d . B .
N5 N -0.02020(16) -0.05112(17) 0.12534(10) 0.0325(4) Uani 1 1 d . . .
N6 N -0.01557(15) 0.19168(15) 0.44734(10) 0.0267(4) Uani 1 1 d . . .
N7 N -0.12235(14) 0.08648(15) 0.57287(9) 0.0245(4) Uani 1 1 d . . .
C1 C 0.37146(19) 0.3209(2) 0.34565(14) 0.0390(6) Uani 1 1 d . . .
H1A H 0.4022 0.3800 0.3893 0.058 Uiso 1 1 calc R . .
H1B H 0.3374 0.2460 0.3614 0.058 Uiso 1 1 calc R . .
H1C H 0.3099 0.3434 0.3119 0.058 Uiso 1 1 calc R . .
C2 C 0.4268(2) 0.18691(19) 0.21898(14) 0.0418(6) Uani 1 1 d . . .
H2A H 0.3605 0.2055 0.1872 0.063 Uiso 1 1 calc R . .
H2B H 0.3974 0.1150 0.2396 0.063 Uiso 1 1 calc R . .
H2C H 0.4864 0.1767 0.1896 0.063 Uiso 1 1 calc R . .
C3 C 0.60103(19) 0.2552(2) 0.36513(13) 0.0363(6) Uani 1 1 d . . .
H3A H 0.6654 0.2398 0.3416 0.054 Uiso 1 1 calc R . .
H3B H 0.5581 0.1836 0.3810 0.054 Uiso 1 1 calc R . .
H3C H 0.6345 0.3146 0.4084 0.054 Uiso 1 1 calc R . .
C4 C 0.7270(2) 0.3453(2) 0.18847(13) 0.0389(6) Uani 1 1 d . . .
H4A H 0.7208 0.2771 0.2150 0.058 Uiso 1 1 calc R . .
H4B H 0.8072 0.3699 0.1778 0.058 Uiso 1 1 calc R . .
H4C H 0.6688 0.3255 0.1418 0.058 Uiso 1 1 calc R . .
C5 C 0.72518(19) 0.59607(19) 0.19652(13) 0.0334(6) Uani 1 1 d . . .
H5A H 0.6700 0.5793 0.1486 0.050 Uiso 1 1 calc R . .
H5B H 0.8070 0.6135 0.1881 0.050 Uiso 1 1 calc R . .
H5C H 0.7133 0.6631 0.2259 0.050 Uiso 1 1 calc R . .
C6 C 0.81740(18) 0.5050(2) 0.33361(13) 0.0361(6) Uani 1 1 d . . .
H6A H 0.8044 0.5675 0.3666 0.054 Uiso 1 1 calc R . .
H6B H 0.8950 0.5308 0.3194 0.054 Uiso 1 1 calc R . .
H6C H 0.8154 0.4365 0.3594 0.054 Uiso 1 1 calc R . .
C7 C 0.73991(17) 0.82420(19) 0.39201(13) 0.0321(5) Uani 1 1 d . . .
H7A H 0.7796 0.7717 0.3687 0.048 Uiso 1 1 calc R . .
H7B H 0.7708 0.8391 0.4456 0.048 Uiso 1 1 calc R . .
H7C H 0.7550 0.8976 0.3710 0.048 Uiso 1 1 calc R . .
C8 C 0.5058(2) 0.8616(2) 0.42040(13) 0.0401(6) Uani 1 1 d . . .
H8A H 0.5251 0.9353 0.3999 0.060 Uiso 1 1 calc R . .
H8B H 0.5372 0.8747 0.4740 0.060 Uiso 1 1 calc R . .
H8C H 0.4194 0.8303 0.4113 0.060 Uiso 1 1 calc R . .
C9 C 0.5561(2) 0.6291(2) 0.42823(12) 0.0355(6) Uani 1 1 d . . .
H9A H 0.4715 0.5962 0.4275 0.053 Uiso 1 1 calc R . .
H9B H 0.5981 0.6551 0.4797 0.053 Uiso 1 1 calc R . .
H9C H 0.5891 0.5697 0.4059 0.053 Uiso 1 1 calc R . .
C10 C 0.5031(2) 0.7603(2) 0.12405(13) 0.0413(6) Uani 1 1 d . . .
C11 C 0.34749(18) 0.8474(2) 0.21789(14) 0.0381(6) Uani 1 1 d . . .
H11A H 0.2839 0.7759 0.2013 0.057 Uiso 1 1 calc R . .
H11B H 0.3403 0.9032 0.1825 0.057 Uiso 1 1 calc R . .
H11C H 0.3410 0.8809 0.2670 0.057 Uiso 1 1 calc R . .
C12 C 0.60961(18) 0.95753(18) 0.24734(13) 0.0328(5) Uani 1 1 d . . .
H12A H 0.6069 0.9930 0.2968 0.049 Uiso 1 1 calc R . .
H12B H 0.5927 1.0089 0.2106 0.049 Uiso 1 1 calc R . .
H12C H 0.6888 0.9457 0.2471 0.049 Uiso 1 1 calc R . .
C13 C 0.41635(19) 0.4098(2) 0.06971(12) 0.0321(5) Uani 1 1 d . . .
H13A H 0.4729 0.4862 0.0755 0.048 Uiso 1 1 calc R . .
H13B H 0.4037 0.3725 0.0185 0.048 Uiso 1 1 calc R . .
H13C H 0.4482 0.3614 0.1038 0.048 Uiso 1 1 calc R . .
C14 C 0.2144(2) 0.5153(2) 0.02029(13) 0.0515(7) Uani 1 1 d . . .
H14A H 0.1320 0.5142 0.0230 0.077 Uiso 1 1 calc R . .
H14B H 0.2178 0.4818 -0.0295 0.077 Uiso 1 1 calc R . .
H14C H 0.2635 0.5956 0.0306 0.077 Uiso 1 1 calc R . .
C15 C 0.1656(2) 0.2777(2) 0.06697(13) 0.0400(6) Uani 1 1 d . . .
H15A H 0.1898 0.2265 0.1018 0.060 Uiso 1 1 calc R . .
H15B H 0.1669 0.2460 0.0163 0.060 Uiso 1 1 calc R . .
H15C H 0.0850 0.2829 0.0702 0.060 Uiso 1 1 calc R . .
C16 C 0.06998(19) 0.35283(19) 0.23343(13) 0.0321(5) Uani 1 1 d . . .
H16A H 0.0270 0.3119 0.1846 0.048 Uiso 1 1 calc R . .
H16B H 0.0130 0.3668 0.2640 0.048 Uiso 1 1 calc R . .
H16C H 0.1180 0.3054 0.2579 0.048 Uiso 1 1 calc R . .
C17 C 0.06566(19) 0.5687(2) 0.16773(14) 0.0392(6) Uani 1 1 d . . .
H17A H 0.1111 0.6413 0.1543 0.059 Uiso 1 1 calc R . .
H17B H 0.0098 0.5857 0.1983 0.059 Uiso 1 1 calc R . .
H17C H 0.0215 0.5172 0.1225 0.059 Uiso 1 1 calc R . .
C18 C 0.22060(18) 0.57853(19) 0.31751(12) 0.0309(5) Uani 1 1 d . . .
H18A H 0.2681 0.5377 0.3488 0.046 Uiso 1 1 calc R . .
H18B H 0.1512 0.5844 0.3388 0.046 Uiso 1 1 calc R . .
H18C H 0.2689 0.6566 0.3150 0.046 Uiso 1 1 calc R . .
C19 C -0.2961(3) -0.0282(3) -0.02080(18) 0.0668(9) Uani 1 1 d . . .
H19A H -0.2962 -0.1083 -0.0132 0.100 Uiso 1 1 calc R . .
H19B H -0.2967 -0.0193 -0.0733 0.100 Uiso 1 1 calc R . .
H19C H -0.3667 -0.0105 -0.0065 0.100 Uiso 1 1 calc R . .
C20 C -0.1946(2) 0.1700(2) 0.01207(15) 0.0448(7) Uani 1 1 d . . .
H20A H -0.2664 0.1853 0.0263 0.067 Uiso 1 1 calc R . .
H20B H -0.1962 0.1782 -0.0405 0.067 Uiso 1 1 calc R . .
H20C H -0.1243 0.2256 0.0422 0.067 Uiso 1 1 calc R . .
C21 C -0.1857(3) 0.0414(3) 0.10364(16) 0.0634(9) Uani 1 1 d . . .
H21A H -0.2668 0.0326 0.1138 0.076 Uiso 1 1 calc R A 1
H21B H -0.1351 0.1153 0.1323 0.076 Uiso 1 1 calc R A 1
C22 C -0.1404(3) -0.0551(3) 0.13222(18) 0.0405(10) Uani 0.803(6) 1 d P B 1
H22A H -0.1459 -0.0544 0.1853 0.049 Uiso 0.803(6) 1 calc PR B 1
H22B H -0.1927 -0.1295 0.1053 0.049 Uiso 0.803(6) 1 calc PR B 1
C23 C 0.0001(3) -0.1688(3) 0.13707(17) 0.0353(9) Uani 0.803(6) 1 d P B 1
H23A H 0.0834 -0.1666 0.1366 0.053 Uiso 0.803(6) 1 calc PR B 1
H23B H -0.0513 -0.2274 0.0972 0.053 Uiso 0.803(6) 1 calc PR B 1
H23C H -0.0186 -0.1886 0.1850 0.053 Uiso 0.803(6) 1 calc PR B 1
C22A C -0.1037(10) 0.0351(11) 0.1466(6) 0.024(3) Uani 0.197(6) 1 d P B 2
H22C H -0.1330 0.0113 0.1917 0.029 Uiso 0.197(6) 1 calc PR B 2
H22D H -0.0509 0.1146 0.1606 0.029 Uiso 0.197(6) 1 calc PR B 2
C23A C -0.0814(14) -0.1576(12) 0.1436(8) 0.049(4) Uani 0.197(6) 1 d P B 2
H23D H -0.1172 -0.1436 0.1868 0.074 Uiso 0.197(6) 1 calc PR B 2
H23E H -0.0258 -0.2054 0.1554 0.074 Uiso 0.197(6) 1 calc PR B 2
H23F H -0.1439 -0.1982 0.1014 0.074 Uiso 0.197(6) 1 calc PR B 2
C24 C 0.0716(2) 0.0289(2) 0.17975(15) 0.0550(7) Uani 1 1 d . B .
H24A H 0.0702 0.1087 0.1724 0.083 Uiso 1 1 calc R . .
H24B H 0.1492 0.0171 0.1742 0.083 Uiso 1 1 calc R . .
H24C H 0.0579 0.0152 0.2297 0.083 Uiso 1 1 calc R . .
C25 C -0.0875(2) 0.1508(2) 0.37311(12) 0.0372(6) Uani 1 1 d . . .
H25A H -0.1623 0.0964 0.3768 0.056 Uiso 1 1 calc R . .
H25B H -0.0440 0.1115 0.3429 0.056 Uiso 1 1 calc R . .
H25C H -0.1044 0.2171 0.3498 0.056 Uiso 1 1 calc R . .
C26 C 0.09198(19) 0.2797(2) 0.44044(14) 0.0403(6) Uani 1 1 d . . .
H26A H 0.1359 0.2453 0.4080 0.060 Uiso 1 1 calc R . .
H26B H 0.1424 0.3072 0.4896 0.060 Uiso 1 1 calc R . .
H26C H 0.0691 0.3452 0.4191 0.060 Uiso 1 1 calc R . .
C27 C -0.08266(19) 0.24622(19) 0.49466(12) 0.0308(5) Uani 1 1 d . . .
H27A H -0.1235 0.2956 0.4654 0.037 Uiso 1 1 calc R . .
H27B H -0.0258 0.2973 0.5369 0.037 Uiso 1 1 calc R . .
C29 C -0.2188(2) -0.0019(2) 0.59239(13) 0.0386(6) Uani 1 1 d . . .
H29A H -0.2671 0.0364 0.6192 0.058 Uiso 1 1 calc R . .
H29B H -0.1847 -0.0521 0.6240 0.058 Uiso 1 1 calc R . .
H29C H -0.2686 -0.0489 0.5470 0.058 Uiso 1 1 calc R . .
C30 C -0.05076(19) 0.1546(2) 0.64213(12) 0.0348(6) Uani 1 1 d . . .
H30A H 0.0147 0.2141 0.6309 0.052 Uiso 1 1 calc R . .
H30B H -0.0186 0.1033 0.6737 0.052 Uiso 1 1 calc R . .
H30C H -0.1005 0.1922 0.6681 0.052 Uiso 1 1 calc R . .
C82 C -0.17350(18) 0.1602(2) 0.52457(12) 0.0306(5) Uani 1 1 d . . .
H82A H -0.2176 0.2032 0.5528 0.037 Uiso 1 1 calc R . .
H82B H -0.2312 0.1100 0.4823 0.037 Uiso 1 1 calc R . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.
;

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
Mg1 N1 2.0173(16) . ?
Mg1 N2 2.0240(17) . ?
Mg1 N3 2.0297(16) . ?
Mg1 Si1 3.1864(9) . ?
Mg1 Si4 3.2050(9) . ?
Mg1 Si3 3.2110(9) . ?
Mg1 Si2 3.2126(8) . ?
Mg1 Si5 3.2131(9) . ?
Mg1 Si6 3.2150(8) . ?
Na1 N5 2.4723(18) 2 ?
Na1 N5 2.4723(18) . ?
Na1 N4 2.5624(17) . ?
Na1 N4 2.5624(17) 2 ?
Na2 N7 2.4666(15) 2_556 ?
Na2 N7 2.4666(15) . ?
Na2 N6 2.6004(18) 2_556 ?
Na2 N6 2.6004(18) . ?
Si1 N1 1.7001(18) . ?
Si1 C2 1.872(2) . ?
Si1 C1 1.875(2) . ?
Si1 C3 1.885(2) . ?
Si2 N1 1.7006(16) . ?
Si2 C5 1.869(2) . ?
Si2 C4 1.883(2) . ?
Si2 C6 1.886(2) . ?
Si3 N2 1.6972(17) . ?
Si3 C9 1.866(2) . ?
Si3 C8 1.885(2) . ?
Si3 C7 1.890(2) . ?
Si4 N2 1.7029(18) . ?
Si4 C11 1.875(2) . ?
Si4 C12 1.883(2) . ?
Si4 C10 1.908(2) . ?
Si5 N3 1.7037(16) . ?
Si5 C13 1.871(2) . ?
Si5 C14 1.887(3) . ?
Si5 C15 1.893(2) . ?
Si6 N3 1.7056(15) . ?
Si6 C17 1.877(2) . ?
Si6 C18 1.878(2) . ?
Si6 C16 1.886(2) . ?
N4 C19 1.454(3) . ?
N4 C21 1.464(3) . ?
N4 C20 1.475(3) . ?
N5 C23A 1.404(14) . ?
N5 C22 1.436(3) . ?
N5 C24 1.441(3) . ?
N5 C23 1.512(3) . ?
N5 C22A 1.656(10) . ?
N6 C25 1.460(3) . ?
N6 C26 1.474(3) . ?
N6 C27 1.481(2) . ?
N7 C30 1.464(3) . ?
N7 C82 1.466(3) . ?
N7 C29 1.472(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 . ?
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 C22A 1.167(11) . ?
C21 C22 1.485(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C22A H22C 0.9900 . ?
C22A H22D 0.9900 . ?
C23A H23D 0.9800 . ?
C23A H23E 0.9800 . ?
C23A H23F 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C82 1.508(3) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?

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 Mg1 N2 119.77(7) . . ?
N1 Mg1 N3 121.04(7) . . ?
N2 Mg1 N3 119.19(7) . . ?
N1 Mg1 Si1 28.18(5) . . ?
N2 Mg1 Si1 135.90(5) . . ?
N3 Mg1 Si1 100.12(5) . . ?
N1 Mg1 Si4 136.29(5) . . ?
N2 Mg1 Si4 27.87(5) . . ?
N3 Mg1 Si4 98.48(5) . . ?
Si1 Mg1 Si4 161.38(3) . . ?
N1 Mg1 Si3 100.76(5) . . ?
N2 Mg1 Si3 27.53(5) . . ?
N3 Mg1 Si3 133.28(5) . . ?
Si1 Mg1 Si3 109.68(3) . . ?
Si4 Mg1 Si3 55.34(2) . . ?
N1 Mg1 Si2 27.49(5) . . ?
N2 Mg1 Si2 101.50(5) . . ?
N3 Mg1 Si2 134.23(5) . . ?
Si1 Mg1 Si2 55.580(19) . . ?
Si4 Mg1 Si2 110.49(3) . . ?
Si3 Mg1 Si2 92.49(2) . . ?
N1 Mg1 Si5 106.40(5) . . ?
N2 Mg1 Si5 127.67(6) . . ?
N3 Mg1 Si5 27.77(4) . . ?
Si1 Mg1 Si5 96.41(2) . . ?
Si4 Mg1 Si5 100.44(2) . . ?
Si3 Mg1 Si5 152.53(3) . . ?
Si2 Mg1 Si5 109.78(2) . . ?
N1 Mg1 Si6 129.42(5) . . ?
N2 Mg1 Si6 104.29(5) . . ?
N3 Mg1 Si6 27.78(4) . . ?
Si1 Mg1 Si6 101.86(2) . . ?
Si4 Mg1 Si6 94.21(2) . . ?
Si3 Mg1 Si6 108.86(2) . . ?
Si2 Mg1 Si6 153.95(3) . . ?
Si5 Mg1 Si6 55.548(18) . . ?
N5 Na1 N5 180.00(14) 2 . ?
N5 Na1 N4 105.43(6) 2 . ?
N5 Na1 N4 74.57(6) . . ?
N5 Na1 N4 74.57(6) 2 2 ?
N5 Na1 N4 105.43(6) . 2 ?
N4 Na1 N4 180.0 . 2 ?
N7 Na2 N7 180.0 2_556 . ?
N7 Na2 N6 73.56(6) 2_556 2_556 ?
N7 Na2 N6 106.44(6) . 2_556 ?
N7 Na2 N6 106.44(6) 2_556 . ?
N7 Na2 N6 73.56(6) . . ?
N6 Na2 N6 180.0 2_556 . ?
N1 Si1 C2 113.14(10) . . ?
N1 Si1 C1 111.80(9) . . ?
C2 Si1 C1 104.77(11) . . ?
N1 Si1 C3 114.44(9) . . ?
C2 Si1 C3 107.18(11) . . ?
C1 Si1 C3 104.71(11) . . ?
N1 Si1 Mg1 34.08(5) . . ?
C2 Si1 Mg1 109.01(8) . . ?
C1 Si1 Mg1 81.27(8) . . ?
C3 Si1 Mg1 140.31(8) . . ?
N1 Si2 C5 111.65(9) . . ?
N1 Si2 C4 113.31(9) . . ?
C5 Si2 C4 106.09(11) . . ?
N1 Si2 C6 113.36(9) . . ?
C5 Si2 C6 105.12(11) . . ?
C4 Si2 C6 106.70(10) . . ?
N1 Si2 Mg1 33.20(6) . . ?
C5 Si2 Mg1 78.64(6) . . ?
C4 Si2 Mg1 128.86(7) . . ?
C6 Si2 Mg1 121.38(7) . . ?
N2 Si3 C9 112.47(9) . . ?
N2 Si3 C8 113.37(9) . . ?
C9 Si3 C8 105.84(11) . . ?
N2 Si3 C7 112.66(9) . . ?
C9 Si3 C7 105.30(10) . . ?
C8 Si3 C7 106.57(10) . . ?
N2 Si3 Mg1 33.45(6) . . ?
C9 Si3 Mg1 79.24(7) . . ?
C8 Si3 Mg1 129.43(7) . . ?
C7 Si3 Mg1 120.75(7) . . ?
N2 Si4 C11 113.14(10) . . ?
N2 Si4 C12 114.22(10) . . ?
C11 Si4 C12 105.82(10) . . ?
N2 Si4 C10 112.19(9) . . ?
C11 Si4 C10 105.92(11) . . ?
C12 Si4 C10 104.80(11) . . ?
N2 Si4 Mg1 33.76(5) . . ?
C11 Si4 Mg1 106.86(8) . . ?
C12 Si4 Mg1 142.42(8) . . ?
C10 Si4 Mg1 83.50(8) . . ?
N3 Si5 C13 111.29(9) . . ?
N3 Si5 C14 114.92(10) . . ?
C13 Si5 C14 106.38(11) . . ?
N3 Si5 C15 113.35(10) . . ?
C13 Si5 C15 105.45(10) . . ?
C14 Si5 C15 104.69(12) . . ?
N3 Si5 Mg1 33.71(5) . . ?
C13 Si5 Mg1 77.92(7) . . ?
C14 Si5 Mg1 122.80(9) . . ?
C15 Si5 Mg1 129.70(8) . . ?
N3 Si6 C17 114.14(10) . . ?
N3 Si6 C18 111.43(8) . . ?
C17 Si6 C18 107.37(10) . . ?
N3 Si6 C16 114.60(9) . . ?
C17 Si6 C16 103.43(10) . . ?
C18 Si6 C16 105.07(10) . . ?
N3 Si6 Mg1 33.69(5) . . ?
C17 Si6 Mg1 130.48(8) . . ?
C18 Si6 Mg1 77.90(6) . . ?
C16 Si6 Mg1 123.12(7) . . ?
Si1 N1 Si2 122.64(9) . . ?
Si1 N1 Mg1 117.74(8) . . ?
Si2 N1 Mg1 119.31(9) . . ?
Si3 N2 Si4 122.40(9) . . ?
Si3 N2 Mg1 119.02(10) . . ?
Si4 N2 Mg1 118.37(9) . . ?
Si5 N3 Si6 122.95(9) . . ?
Si5 N3 Mg1 118.52(8) . . ?
Si6 N3 Mg1 118.53(8) . . ?
C19 N4 C21 111.5(2) . . ?
C19 N4 C20 107.5(2) . . ?
C21 N4 C20 108.47(19) . . ?
C19 N4 Na1 112.00(14) . . ?
C21 N4 Na1 103.35(15) . . ?
C20 N4 Na1 114.03(15) . . ?
C23A N5 C22 66.8(7) . . ?
C23A N5 C24 120.5(6) . . ?
C22 N5 C24 116.2(2) . . ?
C23A N5 C23 41.1(6) . . ?
C22 N5 C23 107.8(2) . . ?
C24 N5 C23 104.2(2) . . ?
C23A N5 C22A 101.9(8) . . ?
C22 N5 C22A 39.1(4) . . ?
C24 N5 C22A 84.2(4) . . ?
C23 N5 C22A 141.3(5) . . ?
C23A N5 Na1 127.4(6) . . ?
C22 N5 Na1 106.52(16) . . ?
C24 N5 Na1 109.24(15) . . ?
C23 N5 Na1 113.07(15) . . ?
C22A N5 Na1 98.8(4) . . ?
C25 N6 C26 108.13(18) . . ?
C25 N6 C27 110.02(16) . . ?
C26 N6 C27 108.69(17) . . ?
C25 N6 Na2 103.06(13) . . ?
C26 N6 Na2 120.81(13) . . ?
C27 N6 Na2 105.78(13) . . ?
C30 N7 C82 111.04(17) . . ?
C30 N7 C29 107.55(17) . . ?
C82 N7 C29 109.37(17) . . ?
C30 N7 Na2 111.37(12) . . ?
C82 N7 Na2 105.24(12) . . ?
C29 N7 Na2 112.29(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 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 . . ?
C22A C21 N4 126.5(6) . . ?
C22A C21 C22 44.9(6) . . ?
N4 C21 C22 116.5(2) . . ?
C22A C21 H21A 125.0 . . ?
N4 C21 H21A 108.2 . . ?
C22 C21 H21A 108.2 . . ?
C22A C21 H21B 63.5 . . ?
N4 C21 H21B 108.2 . . ?
C22 C21 H21B 108.2 . . ?
H21A C21 H21B 107.3 . . ?
N5 C22 C21 115.0(3) . . ?
N5 C22 H22A 108.5 . . ?
C21 C22 H22A 108.5 . . ?
N5 C22 H22B 108.5 . . ?
C21 C22 H22B 108.5 . . ?
H22A C22 H22B 107.5 . . ?
N5 C23 H23A 109.5 . . ?
N5 C23 H23B 109.5 . . ?
N5 C23 H23C 109.5 . . ?
C21 C22A N5 120.6(8) . . ?
C21 C22A H22C 107.2 . . ?
N5 C22A H22C 107.2 . . ?
C21 C22A H22D 107.2 . . ?
N5 C22A H22D 107.2 . . ?
H22C C22A H22D 106.8 . . ?
N5 C23A H23D 109.5 . . ?
N5 C23A H23E 109.5 . . ?
H23D C23A H23E 109.5 . . ?
N5 C23A H23F 109.5 . . ?
H23D C23A H23F 109.5 . . ?
H23E C23A H23F 109.5 . . ?
N5 C24 H24A 109.5 . . ?
N5 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
N5 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N6 C25 H25A 109.5 . . ?
N6 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
N6 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N6 C26 H26A 109.5 . . ?
N6 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
N6 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N6 C27 C82 113.86(17) . . ?
N6 C27 H27A 108.8 . . ?
C82 C27 H27A 108.8 . . ?
N6 C27 H27B 108.8 . . ?
C82 C27 H27B 108.8 . . ?
H27A C27 H27B 107.7 . . ?
N7 C29 H29A 109.5 . . ?
N7 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
N7 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N7 C30 H30A 109.5 . . ?
N7 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
N7 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N7 C82 C27 113.83(17) . . ?
N7 C82 H82A 108.8 . . ?
C27 C82 H82A 108.8 . . ?
N7 C82 H82B 108.8 . . ?
C27 C82 H82B 108.8 . . ?
H82A C82 H82B 107.7 . . ?

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 -65.47(12) . . . . ?
N3 Mg1 Si1 N1 140.88(11) . . . . ?
Si4 Mg1 Si1 N1 -41.75(13) . . . . ?
Si3 Mg1 Si1 N1 -75.65(10) . . . . ?
Si2 Mg1 Si1 N1 3.44(10) . . . . ?
Si5 Mg1 Si1 N1 113.06(10) . . . . ?
Si6 Mg1 Si1 N1 169.14(10) . . . . ?
N1 Mg1 Si1 C2 -103.44(13) . . . . ?
N2 Mg1 Si1 C2 -168.91(11) . . . . ?
N3 Mg1 Si1 C2 37.44(10) . . . . ?
Si4 Mg1 Si1 C2 -145.19(11) . . . . ?
Si3 Mg1 Si1 C2 -179.10(8) . . . . ?
Si2 Mg1 Si1 C2 -100.01(9) . . . . ?
Si5 Mg1 Si1 C2 9.62(9) . . . . ?
Si6 Mg1 Si1 C2 65.69(9) . . . . ?
N1 Mg1 Si1 C1 153.85(13) . . . . ?
N2 Mg1 Si1 C1 88.39(11) . . . . ?
N3 Mg1 Si1 C1 -65.26(9) . . . . ?
Si4 Mg1 Si1 C1 112.10(11) . . . . ?
Si3 Mg1 Si1 C1 78.20(8) . . . . ?
Si2 Mg1 Si1 C1 157.29(8) . . . . ?
Si5 Mg1 Si1 C1 -93.08(8) . . . . ?
Si6 Mg1 Si1 C1 -37.01(8) . . . . ?
N1 Mg1 Si1 C3 51.31(15) . . . . ?
N2 Mg1 Si1 C3 -14.16(15) . . . . ?
N3 Mg1 Si1 C3 -167.81(13) . . . . ?
Si4 Mg1 Si1 C3 9.56(16) . . . . ?
Si3 Mg1 Si1 C3 -24.34(13) . . . . ?
Si2 Mg1 Si1 C3 54.75(12) . . . . ?
Si5 Mg1 Si1 C3 164.37(12) . . . . ?
Si6 Mg1 Si1 C3 -139.55(12) . . . . ?
N2 Mg1 Si2 N1 134.99(11) . . . . ?
N3 Mg1 Si2 N1 -71.82(12) . . . . ?
Si1 Mg1 Si2 N1 -3.52(10) . . . . ?
Si4 Mg1 Si2 N1 162.49(10) . . . . ?
Si3 Mg1 Si2 N1 108.75(10) . . . . ?
Si5 Mg1 Si2 N1 -87.63(10) . . . . ?
Si6 Mg1 Si2 N1 -36.92(11) . . . . ?
N1 Mg1 Si2 C5 173.93(13) . . . . ?
N2 Mg1 Si2 C5 -51.08(9) . . . . ?
N3 Mg1 Si2 C5 102.11(11) . . . . ?
Si1 Mg1 Si2 C5 170.42(8) . . . . ?
Si4 Mg1 Si2 C5 -23.58(8) . . . . ?
Si3 Mg1 Si2 C5 -77.32(8) . . . . ?
Si5 Mg1 Si2 C5 86.30(8) . . . . ?
Si6 Mg1 Si2 C5 137.01(9) . . . . ?
N1 Mg1 Si2 C4 72.34(15) . . . . ?
N2 Mg1 Si2 C4 -152.68(12) . . . . ?
N3 Mg1 Si2 C4 0.52(14) . . . . ?
Si1 Mg1 Si2 C4 68.82(11) . . . . ?
Si4 Mg1 Si2 C4 -125.17(11) . . . . ?
Si3 Mg1 Si2 C4 -178.91(11) . . . . ?
Si5 Mg1 Si2 C4 -15.29(11) . . . . ?
Si6 Mg1 Si2 C4 35.41(13) . . . . ?
N1 Mg1 Si2 C6 -85.17(14) . . . . ?
N2 Mg1 Si2 C6 49.82(11) . . . . ?
N3 Mg1 Si2 C6 -156.99(12) . . . . ?
Si1 Mg1 Si2 C6 -88.69(10) . . . . ?
Si4 Mg1 Si2 C6 77.32(10) . . . . ?
Si3 Mg1 Si2 C6 23.58(10) . . . . ?
Si5 Mg1 Si2 C6 -172.80(10) . . . . ?
Si6 Mg1 Si2 C6 -122.09(11) . . . . ?
N1 Mg1 Si3 N2 136.81(11) . . . . ?
N3 Mg1 Si3 N2 -69.05(12) . . . . ?
Si1 Mg1 Si3 N2 164.56(10) . . . . ?
Si4 Mg1 Si3 N2 -2.93(9) . . . . ?
Si2 Mg1 Si3 N2 110.39(9) . . . . ?
Si5 Mg1 Si3 N2 -34.49(10) . . . . ?
Si6 Mg1 Si3 N2 -84.78(9) . . . . ?
N1 Mg1 Si3 C9 -49.70(9) . . . . ?
N2 Mg1 Si3 C9 173.49(12) . . . . ?
N3 Mg1 Si3 C9 104.44(10) . . . . ?
Si1 Mg1 Si3 C9 -21.95(7) . . . . ?
Si4 Mg1 Si3 C9 170.56(7) . . . . ?
Si2 Mg1 Si3 C9 -76.12(7) . . . . ?
Si5 Mg1 Si3 C9 139.01(9) . . . . ?
Si6 Mg1 Si3 C9 88.71(7) . . . . ?
N1 Mg1 Si3 C8 -151.44(12) . . . . ?
N2 Mg1 Si3 C8 71.76(15) . . . . ?
N3 Mg1 Si3 C8 2.71(14) . . . . ?
Si1 Mg1 Si3 C8 -123.68(12) . . . . ?
Si4 Mg1 Si3 C8 68.82(12) . . . . ?
Si2 Mg1 Si3 C8 -177.85(12) . . . . ?
Si5 Mg1 Si3 C8 37.27(14) . . . . ?
Si6 Mg1 Si3 C8 -13.02(12) . . . . ?
N1 Mg1 Si3 C7 51.81(11) . . . . ?
N2 Mg1 Si3 C7 -85.00(13) . . . . ?
N3 Mg1 Si3 C7 -154.05(11) . . . . ?
Si1 Mg1 Si3 C7 79.56(10) . . . . ?
Si4 Mg1 Si3 C7 -87.93(9) . . . . ?
Si2 Mg1 Si3 C7 25.39(9) . . . . ?
Si5 Mg1 Si3 C7 -119.48(10) . . . . ?
Si6 Mg1 Si3 C7 -169.78(9) . . . . ?
N1 Mg1 Si4 N2 -63.85(12) . . . . ?
N3 Mg1 Si4 N2 140.60(11) . . . . ?
Si1 Mg1 Si4 N2 -36.78(12) . . . . ?
Si3 Mg1 Si4 N2 2.90(9) . . . . ?
Si2 Mg1 Si4 N2 -75.44(9) . . . . ?
Si5 Mg1 Si4 N2 168.69(9) . . . . ?
Si6 Mg1 Si4 N2 112.97(9) . . . . ?
N1 Mg1 Si4 C11 -170.44(11) . . . . ?
N2 Mg1 Si4 C11 -106.60(13) . . . . ?
N3 Mg1 Si4 C11 34.01(10) . . . . ?
Si1 Mg1 Si4 C11 -143.37(11) . . . . ?
Si3 Mg1 Si4 C11 -103.70(9) . . . . ?
Si2 Mg1 Si4 C11 177.96(9) . . . . ?
Si5 Mg1 Si4 C11 62.10(9) . . . . ?
Si6 Mg1 Si4 C11 6.38(9) . . . . ?
N1 Mg1 Si4 C12 -21.03(15) . . . . ?
N2 Mg1 Si4 C12 42.81(15) . . . . ?
N3 Mg1 Si4 C12 -176.58(12) . . . . ?
Si1 Mg1 Si4 C12 6.03(16) . . . . ?
Si3 Mg1 Si4 C12 45.71(12) . . . . ?
Si2 Mg1 Si4 C12 -32.63(12) . . . . ?
Si5 Mg1 Si4 C12 -148.49(12) . . . . ?
Si6 Mg1 Si4 C12 155.79(12) . . . . ?
N1 Mg1 Si4 C10 84.85(11) . . . . ?
N2 Mg1 Si4 C10 148.69(12) . . . . ?
N3 Mg1 Si4 C10 -70.71(9) . . . . ?
Si1 Mg1 Si4 C10 111.91(11) . . . . ?
Si3 Mg1 Si4 C10 151.59(8) . . . . ?
Si2 Mg1 Si4 C10 73.25(8) . . . . ?
Si5 Mg1 Si4 C10 -42.61(8) . . . . ?
Si6 Mg1 Si4 C10 -98.33(8) . . . . ?
N1 Mg1 Si5 N3 126.50(12) . . . . ?
N2 Mg1 Si5 N3 -81.73(12) . . . . ?
Si1 Mg1 Si5 N3 99.57(10) . . . . ?
Si4 Mg1 Si5 N3 -88.38(10) . . . . ?
Si3 Mg1 Si5 N3 -62.42(12) . . . . ?
Si2 Mg1 Si5 N3 155.23(11) . . . . ?
Si6 Mg1 Si5 N3 -0.44(10) . . . . ?
N1 Mg1 Si5 C13 -45.26(9) . . . . ?
N2 Mg1 Si5 C13 106.52(10) . . . . ?
N3 Mg1 Si5 C13 -171.76(13) . . . . ?
Si1 Mg1 Si5 C13 -72.19(8) . . . . ?
Si4 Mg1 Si5 C13 99.87(8) . . . . ?
Si3 Mg1 Si5 C13 125.82(9) . . . . ?
Si2 Mg1 Si5 C13 -16.53(8) . . . . ?
Si6 Mg1 Si5 C13 -172.19(8) . . . . ?
N1 Mg1 Si5 C14 -147.10(11) . . . . ?
N2 Mg1 Si5 C14 4.67(12) . . . . ?
N3 Mg1 Si5 C14 86.40(14) . . . . ?
Si1 Mg1 Si5 C14 -174.03(10) . . . . ?
Si4 Mg1 Si5 C14 -1.98(10) . . . . ?
Si3 Mg1 Si5 C14 23.98(12) . . . . ?
Si2 Mg1 Si5 C14 -118.37(10) . . . . ?
Si6 Mg1 Si5 C14 85.97(10) . . . . ?
N1 Mg1 Si5 C15 54.91(11) . . . . ?
N2 Mg1 Si5 C15 -153.32(11) . . . . ?
N3 Mg1 Si5 C15 -71.59(14) . . . . ?
Si1 Mg1 Si5 C15 27.98(10) . . . . ?
Si4 Mg1 Si5 C15 -159.96(9) . . . . ?
Si3 Mg1 Si5 C15 -134.01(10) . . . . ?
Si2 Mg1 Si5 C15 83.64(10) . . . . ?
Si6 Mg1 Si5 C15 -72.02(9) . . . . ?
N1 Mg1 Si6 N3 -82.63(12) . . . . ?
N2 Mg1 Si6 N3 126.59(12) . . . . ?
Si1 Mg1 Si6 N3 -89.24(10) . . . . ?
Si4 Mg1 Si6 N3 100.22(10) . . . . ?
Si3 Mg1 Si6 N3 154.95(11) . . . . ?
Si2 Mg1 Si6 N3 -61.59(12) . . . . ?
Si5 Mg1 Si6 N3 0.43(10) . . . . ?
N1 Mg1 Si6 C17 -154.50(12) . . . . ?
N2 Mg1 Si6 C17 54.72(12) . . . . ?
N3 Mg1 Si6 C17 -71.87(14) . . . . ?
Si1 Mg1 Si6 C17 -161.11(10) . . . . ?
Si4 Mg1 Si6 C17 28.35(11) . . . . ?
Si3 Mg1 Si6 C17 83.08(11) . . . . ?
Si2 Mg1 Si6 C17 -133.46(11) . . . . ?
Si5 Mg1 Si6 C17 -71.44(10) . . . . ?
N1 Mg1 Si6 C18 102.88(10) . . . . ?
N2 Mg1 Si6 C18 -47.90(10) . . . . ?
N3 Mg1 Si6 C18 -174.49(13) . . . . ?
Si1 Mg1 Si6 C18 96.26(8) . . . . ?
Si4 Mg1 Si6 C18 -74.28(8) . . . . ?
Si3 Mg1 Si6 C18 -19.55(8) . . . . ?
Si2 Mg1 Si6 C18 123.91(10) . . . . ?
Si5 Mg1 Si6 C18 -174.06(8) . . . . ?
N1 Mg1 Si6 C16 2.64(11) . . . . ?
N2 Mg1 Si6 C16 -148.14(10) . . . . ?
N3 Mg1 Si6 C16 85.27(13) . . . . ?
Si1 Mg1 Si6 C16 -3.97(9) . . . . ?
Si4 Mg1 Si6 C16 -174.51(9) . . . . ?
Si3 Mg1 Si6 C16 -119.78(9) . . . . ?
Si2 Mg1 Si6 C16 23.68(11) . . . . ?
Si5 Mg1 Si6 C16 85.70(9) . . . . ?
C2 Si1 N1 Si2 -83.60(13) . . . . ?
C1 Si1 N1 Si2 158.39(12) . . . . ?
C3 Si1 N1 Si2 39.57(15) . . . . ?
Mg1 Si1 N1 Si2 -173.63(18) . . . . ?
C2 Si1 N1 Mg1 90.03(12) . . . . ?
C1 Si1 N1 Mg1 -27.98(13) . . . . ?
C3 Si1 N1 Mg1 -146.80(10) . . . . ?
C5 Si2 N1 Si1 167.13(11) . . . . ?
C4 Si2 N1 Si1 47.42(15) . . . . ?
C6 Si2 N1 Si1 -74.38(14) . . . . ?
Mg1 Si2 N1 Si1 173.53(18) . . . . ?
C5 Si2 N1 Mg1 -6.40(13) . . . . ?
C4 Si2 N1 Mg1 -126.11(11) . . . . ?
C6 Si2 N1 Mg1 112.09(11) . . . . ?
N2 Mg1 N1 Si1 133.17(9) . . . . ?
N3 Mg1 N1 Si1 -46.46(12) . . . . ?
Si4 Mg1 N1 Si1 162.08(6) . . . . ?
Si3 Mg1 N1 Si1 111.79(9) . . . . ?
Si2 Mg1 N1 Si1 -173.85(17) . . . . ?
Si5 Mg1 N1 Si1 -72.38(10) . . . . ?
Si6 Mg1 N1 Si1 -13.81(13) . . . . ?
N2 Mg1 N1 Si2 -52.98(12) . . . . ?
N3 Mg1 N1 Si2 127.39(9) . . . . ?
Si1 Mg1 N1 Si2 173.85(17) . . . . ?
Si4 Mg1 N1 Si2 -24.07(14) . . . . ?
Si3 Mg1 N1 Si2 -74.36(9) . . . . ?
Si5 Mg1 N1 Si2 101.47(9) . . . . ?
Si6 Mg1 N1 Si2 160.04(6) . . . . ?
C9 Si3 N2 Si4 167.69(10) . . . . ?
C8 Si3 N2 Si4 47.66(15) . . . . ?
C7 Si3 N2 Si4 -73.48(13) . . . . ?
Mg1 Si3 N2 Si4 174.61(17) . . . . ?
C9 Si3 N2 Mg1 -6.92(13) . . . . ?
C8 Si3 N2 Mg1 -126.96(11) . . . . ?
C7 Si3 N2 Mg1 111.91(11) . . . . ?
C11 Si4 N2 Si3 -88.77(13) . . . . ?
C12 Si4 N2 Si3 32.38(13) . . . . ?
C10 Si4 N2 Si3 151.46(12) . . . . ?
Mg1 Si4 N2 Si3 -174.65(17) . . . . ?
C11 Si4 N2 Mg1 85.88(12) . . . . ?
C12 Si4 N2 Mg1 -152.97(9) . . . . ?
C10 Si4 N2 Mg1 -33.89(13) . . . . ?
N1 Mg1 N2 Si3 -50.78(12) . . . . ?
N3 Mg1 N2 Si3 128.86(9) . . . . ?
Si1 Mg1 N2 Si3 -21.11(13) . . . . ?
Si4 Mg1 N2 Si3 174.83(16) . . . . ?
Si2 Mg1 N2 Si3 -72.87(9) . . . . ?
Si5 Mg1 N2 Si3 160.74(6) . . . . ?
Si6 Mg1 N2 Si3 103.47(8) . . . . ?
N1 Mg1 N2 Si4 134.39(9) . . . . ?
N3 Mg1 N2 Si4 -45.98(12) . . . . ?
Si1 Mg1 N2 Si4 164.06(5) . . . . ?
Si3 Mg1 N2 Si4 -174.83(16) . . . . ?
Si2 Mg1 N2 Si4 112.30(8) . . . . ?
Si5 Mg1 N2 Si4 -14.10(12) . . . . ?
Si6 Mg1 N2 Si4 -71.36(9) . . . . ?
C13 Si5 N3 Si6 -172.15(12) . . . . ?
C14 Si5 N3 Si6 66.86(16) . . . . ?
C15 Si5 N3 Si6 -53.48(15) . . . . ?
Mg1 Si5 N3 Si6 179.19(19) . . . . ?
C13 Si5 N3 Mg1 8.66(14) . . . . ?
C14 Si5 N3 Mg1 -112.33(13) . . . . ?
C15 Si5 N3 Mg1 127.33(11) . . . . ?
C17 Si6 N3 Si5 -51.58(15) . . . . ?
C18 Si6 N3 Si5 -173.41(12) . . . . ?
C16 Si6 N3 Si5 67.44(15) . . . . ?
Mg1 Si6 N3 Si5 -179.19(19) . . . . ?
C17 Si6 N3 Mg1 127.62(11) . . . . ?
C18 Si6 N3 Mg1 5.78(14) . . . . ?
C16 Si6 N3 Mg1 -113.36(11) . . . . ?
N1 Mg1 N3 Si5 -64.17(13) . . . . ?
N2 Mg1 N3 Si5 116.20(10) . . . . ?
Si1 Mg1 N3 Si5 -84.52(10) . . . . ?
Si4 Mg1 N3 Si5 96.33(9) . . . . ?
Si3 Mg1 N3 Si5 145.83(7) . . . . ?
Si2 Mg1 N3 Si5 -33.38(14) . . . . ?
Si6 Mg1 N3 Si5 179.23(18) . . . . ?
N1 Mg1 N3 Si6 116.60(10) . . . . ?
N2 Mg1 N3 Si6 -63.03(12) . . . . ?
Si1 Mg1 N3 Si6 96.25(9) . . . . ?
Si4 Mg1 N3 Si6 -82.90(9) . . . . ?
Si3 Mg1 N3 Si6 -33.40(14) . . . . ?
Si2 Mg1 N3 Si6 147.39(7) . . . . ?
Si5 Mg1 N3 Si6 -179.23(18) . . . . ?
N5 Na1 N4 C19 70.75(19) 2 . . . ?
N5 Na1 N4 C19 -109.25(19) . . . . ?
N4 Na1 N4 C19 -113(42) 2 . . . ?
N5 Na1 N4 C21 -169.17(17) 2 . . . ?
N5 Na1 N4 C21 10.83(17) . . . . ?
N4 Na1 N4 C21 7(42) 2 . . . ?
N5 Na1 N4 C20 -51.64(17) 2 . . . ?
N5 Na1 N4 C20 128.36(17) . . . . ?
N4 Na1 N4 C20 124(42) 2 . . . ?
N5 Na1 N5 C23A -104(100) 2 . . . ?
N4 Na1 N5 C23A 89.1(9) . . . . ?
N4 Na1 N5 C23A -90.9(9) 2 . . . ?
N5 Na1 N5 C22 -177(100) 2 . . . ?
N4 Na1 N5 C22 15.98(19) . . . . ?
N4 Na1 N5 C22 -164.02(19) 2 . . . ?
N5 Na1 N5 C24 57(100) 2 . . . ?
N4 Na1 N5 C24 -110.31(16) . . . . ?
N4 Na1 N5 C24 69.69(16) 2 . . . ?
N5 Na1 N5 C23 -59(100) 2 . . . ?
N4 Na1 N5 C23 134.2(2) . . . . ?
N4 Na1 N5 C23 -45.8(2) 2 . . . ?
N5 Na1 N5 C22A 144(100) 2 . . . ?
N4 Na1 N5 C22A -23.4(5) . . . . ?
N4 Na1 N5 C22A 156.6(5) 2 . . . ?
N7 Na2 N6 C25 67.99(13) 2_556 . . . ?
N7 Na2 N6 C25 -112.01(13) . . . . ?
N6 Na2 N6 C25 130(100) 2_556 . . . ?
N7 Na2 N6 C26 -52.70(16) 2_556 . . . ?
N7 Na2 N6 C26 127.30(16) . . . . ?
N6 Na2 N6 C26 9(100) 2_556 . . . ?
N7 Na2 N6 C27 -176.50(12) 2_556 . . . ?
N7 Na2 N6 C27 3.50(12) . . . . ?
N6 Na2 N6 C27 -115(100) 2_556 . . . ?
N7 Na2 N7 C30 41(64) 2_556 . . . ?
N6 Na2 N7 C30 84.03(15) 2_556 . . . ?
N6 Na2 N7 C30 -95.97(15) . . . . ?
N7 Na2 N7 C82 161(64) 2_556 . . . ?
N6 Na2 N7 C82 -155.56(12) 2_556 . . . ?
N6 Na2 N7 C82 24.44(12) . . . . ?
N7 Na2 N7 C29 -80(64) 2_556 . . . ?
N6 Na2 N7 C29 -36.67(16) 2_556 . . . ?
N6 Na2 N7 C29 143.33(16) . . . . ?
C19 N4 C21 C22A 133.9(9) . . . . ?
C20 N4 C21 C22A -107.9(9) . . . . ?
Na1 N4 C21 C22A 13.5(9) . . . . ?
C19 N4 C21 C22 81.9(3) . . . . ?
C20 N4 C21 C22 -159.9(3) . . . . ?
Na1 N4 C21 C22 -38.5(3) . . . . ?
C23A N5 C22 C21 -167.5(7) . . . . ?
C24 N5 C22 C21 78.6(3) . . . . ?
C23 N5 C22 C21 -165.0(3) . . . . ?
C22A N5 C22 C21 40.3(7) . . . . ?
Na1 N5 C22 C21 -43.4(3) . . . . ?
C22A C21 C22 N5 -55.0(8) . . . . ?
N4 C21 C22 N5 61.2(4) . . . . ?
N4 C21 C22A N5 -44.2(14) . . . . ?
C22 C21 C22A N5 48.4(7) . . . . ?
C23A N5 C22A C21 -86.0(12) . . . . ?
C22 N5 C22A C21 -60.0(9) . . . . ?
C24 N5 C22A C21 154.0(11) . . . . ?
C23 N5 C22A C21 -100.5(11) . . . . ?
Na1 N5 C22A C21 45.4(11) . . . . ?
C25 N6 C27 C82 78.8(2) . . . . ?
C26 N6 C27 C82 -163.00(19) . . . . ?
Na2 N6 C27 C82 -31.9(2) . . . . ?
C30 N7 C82 C27 67.5(2) . . . . ?
C29 N7 C82 C27 -174.00(17) . . . . ?
Na2 N7 C82 C27 -53.17(19) . . . . ?
N6 C27 C82 N7 62.0(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        29.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.585
_refine_diff_density_min         -0.296
_refine_diff_density_rms         0.056
_database_code_depnum_ccdc_archive 'CCDC 993042'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_shelxl1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C28 H77 Mg N6 Na Si4'
_chemical_formula_weight         657.62

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Na Na 0.0362 0.0249 '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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n a 2 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'x+1/2, -y+1/2, z'

_cell_length_a                   39.1203(11)
_cell_length_b                   8.7705(3)
_cell_length_c                   25.6241(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     8791.7(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    10810
_cell_measurement_theta_min      3.1784
_cell_measurement_theta_max      28.7457

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    0.994
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2928
_exptl_absorpt_coefficient_mu    0.183
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.90096
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  omega-scans
_diffrn_measurement_method       'Oxford Diffraction Xcalibur E'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            32190
_diffrn_reflns_av_R_equivalents  0.0407
_diffrn_reflns_av_sigmaI/netI    0.0761
_diffrn_reflns_limit_h_min       -48
_diffrn_reflns_limit_h_max       47
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         3.18
_diffrn_reflns_theta_max         28.89
_reflns_number_total             16630
_reflns_number_gt                13362
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0443P)²+3.5036P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.01(10)
_refine_ls_number_reflns         16630
_refine_ls_number_parameters     838
_refine_ls_number_restraints     129
_refine_ls_R_factor_all          0.0838
_refine_ls_R_factor_gt           0.0652
_refine_ls_wR_factor_ref         0.1322
_refine_ls_wR_factor_gt          0.1235
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_restrained_S_all      1.075
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Na1 Na 0.24866(4) -0.61322(15) -0.09038(6) 0.0248(3) Uani 1 1 d . . .
Na2 Na 0.00056(4) -0.85496(16) -0.43703(6) 0.0271(3) Uani 1 1 d . A .
Mg1 Mg 0.24542(3) -0.75064(13) 0.09736(5) 0.0201(3) Uani 1 1 d . . .
Mg2 Mg -0.00316(3) -0.72822(13) -0.62492(5) 0.0211(3) Uani 1 1 d . A .
Si1 Si 0.31850(3) -0.91926(13) 0.09894(4) 0.0292(2) Uani 1 1 d . . .
Si2 Si 0.30922(3) -0.64039(13) 0.16468(4) 0.0274(2) Uani 1 1 d . . .
Si3 Si 0.20094(3) -0.87509(13) 0.19251(4) 0.0261(2) Uani 1 1 d . . .
Si4 Si 0.17869(3) -0.58281(13) 0.14221(5) 0.0306(3) Uani 1 1 d . . .
Si5 Si -0.04996(3) -0.65364(14) -0.72291(5) 0.0338(3) Uani 1 1 d . . .
Si6 Si -0.06430(3) -0.94373(13) -0.66591(5) 0.0309(3) Uani 1 1 d . . .
Si7 Si 0.06432(3) -0.80572(14) -0.69053(4) 0.0301(3) Uani 1 1 d . . .
Si8 Si 0.06482(3) -0.52300(13) -0.62629(5) 0.0322(3) Uani 1 1 d . . .
N1 N 0.29504(7) -0.7704(3) 0.12034(12) 0.0235(7) Uani 1 1 d . . .
N2 N 0.20634(8) -0.7320(3) 0.14871(12) 0.0230(7) Uani 1 1 d . . .
N3 N 0.29810(9) -0.7720(4) -0.12054(15) 0.0319(8) Uani 1 1 d . . .
N4 N 0.30245(9) -0.4799(4) -0.05382(13) 0.0335(8) Uani 1 1 d . . .
N5 N 0.20435(8) -0.7012(4) -0.15616(14) 0.0294(8) Uani 1 1 d . . .
N6 N 0.20575(9) -0.3985(4) -0.09931(14) 0.0366(9) Uani 1 1 d . . .
N7 N -0.04138(7) -0.7816(3) -0.67511(12) 0.0223(7) Uani 1 1 d . . .
N8 N 0.04513(7) -0.6838(4) -0.64815(13) 0.0258(7) Uani 1 1 d . . .
N9 N 0.05074(8) -1.0123(4) -0.47452(13) 0.0291(8) Uani 1 1 d . . .
N10 N 0.05435(9) -0.7213(4) -0.40910(14) 0.0349(9) Uani 1 1 d . . .
N11 N -0.04011(10) -0.7514(4) -0.36654(17) 0.0490(10) Uani 1 1 d DU . .
N12 N -0.04517(9) -1.0503(4) -0.42429(14) 0.0429(9) Uani 1 1 d DU . .
C1 C 0.23325(11) -0.7428(5) 0.01477(17) 0.0276(9) Uani 1 1 d . . .
C2 C 0.19772(11) -0.8052(5) 0.00176(17) 0.0354(10) Uani 1 1 d . . .
H2A H 0.1803 -0.7391 0.0184 0.042 Uiso 1 1 calc R . .
H2B H 0.1943 -0.7997 -0.0365 0.042 Uiso 1 1 calc R . .
C3 C 0.19208(12) -0.9671(5) 0.01939(19) 0.0431(11) Uani 1 1 d . . .
H3A H 0.1972 -0.9740 0.0571 0.052 Uiso 1 1 calc R . .
H3B H 0.2084 -1.0341 0.0008 0.052 Uiso 1 1 calc R . .
C4 C 0.15596(12) -1.0266(6) 0.0101(2) 0.0575(14) Uani 1 1 d . . .
H4A H 0.1396 -0.9629 0.0291 0.086 Uiso 1 1 calc R . .
H4B H 0.1543 -1.1320 0.0225 0.086 Uiso 1 1 calc R . .
H4C H 0.1508 -1.0232 -0.0273 0.086 Uiso 1 1 calc R . .
C5 C 0.29259(12) -1.0529(5) 0.05714(19) 0.0434(11) Uani 1 1 d . . .
H5A H 0.2730 -1.0905 0.0771 0.065 Uiso 1 1 calc R . .
H5B H 0.3069 -1.1393 0.0464 0.065 Uiso 1 1 calc R . .
H5C H 0.2845 -0.9986 0.0261 0.065 Uiso 1 1 calc R . .
C6 C 0.35639(11) -0.8616(6) 0.05735(18) 0.0453(12) Uani 1 1 d . . .
H6A H 0.3493 -0.7832 0.0323 0.068 Uiso 1 1 calc R . .
H6B H 0.3650 -0.9508 0.0384 0.068 Uiso 1 1 calc R . .
H6C H 0.3745 -0.8210 0.0798 0.068 Uiso 1 1 calc R . .
C7 C 0.33677(11) -1.0418(5) 0.15217(18) 0.0422(11) Uani 1 1 d . . .
H7A H 0.3539 -0.9836 0.1717 0.063 Uiso 1 1 calc R . .
H7B H 0.3475 -1.1322 0.1368 0.063 Uiso 1 1 calc R . .
H7C H 0.3184 -1.0736 0.1758 0.063 Uiso 1 1 calc R . .
C8 C 0.28182(12) -0.4664(5) 0.16489(19) 0.0450(12) Uani 1 1 d . . .
H8A H 0.2819 -0.4201 0.1301 0.067 Uiso 1 1 calc R . .
H8B H 0.2907 -0.3932 0.1904 0.067 Uiso 1 1 calc R . .
H8C H 0.2584 -0.4944 0.1743 0.067 Uiso 1 1 calc R . .
C9 C 0.35411(12) -0.5714(6) 0.1525(2) 0.0550(14) Uani 1 1 d . . .
H9A H 0.3702 -0.6554 0.1581 0.083 Uiso 1 1 calc R . .
H9B H 0.3594 -0.4879 0.1766 0.083 Uiso 1 1 calc R . .
H9C H 0.3561 -0.5350 0.1165 0.083 Uiso 1 1 calc R . .
C10 C 0.30916(12) -0.7142(5) 0.23338(17) 0.0411(11) Uani 1 1 d . . .
H10A H 0.2859 -0.7449 0.2430 0.062 Uiso 1 1 calc R . .
H10B H 0.3170 -0.6338 0.2571 0.062 Uiso 1 1 calc R . .
H10C H 0.3245 -0.8023 0.2359 0.062 Uiso 1 1 calc R . .
C11 C 0.23181(10) -1.0334(5) 0.17926(17) 0.0346(10) Uani 1 1 d . . .
H11A H 0.2285 -1.0709 0.1436 0.052 Uiso 1 1 calc R . .
H11B H 0.2278 -1.1167 0.2040 0.052 Uiso 1 1 calc R . .
H11C H 0.2552 -0.9956 0.1833 0.052 Uiso 1 1 calc R . .
C12 C 0.20799(12) -0.8161(6) 0.26260(17) 0.0456(12) Uani 1 1 d . . .
H12A H 0.2282 -0.7506 0.2648 0.068 Uiso 1 1 calc R . .
H12B H 0.2114 -0.9071 0.2842 0.068 Uiso 1 1 calc R . .
H12C H 0.1879 -0.7601 0.2752 0.068 Uiso 1 1 calc R . .
C13 C 0.15743(10) -0.9681(5) 0.1907(2) 0.0459(12) Uani 1 1 d . . .
H13A H 0.1400 -0.8938 0.2011 0.069 Uiso 1 1 calc R . .
H13B H 0.1571 -1.0548 0.2148 0.069 Uiso 1 1 calc R . .
H13C H 0.1526 -1.0038 0.1552 0.069 Uiso 1 1 calc R . .
C14 C 0.16872(15) -0.4833(6) 0.2052(2) 0.0622(16) Uani 1 1 d . . .
H14A H 0.1583 -0.5557 0.2296 0.093 Uiso 1 1 calc R . .
H14B H 0.1528 -0.3991 0.1986 0.093 Uiso 1 1 calc R . .
H14C H 0.1899 -0.4430 0.2204 0.093 Uiso 1 1 calc R . .
C15 C 0.13574(11) -0.6388(6) 0.1145(2) 0.0530(13) Uani 1 1 d . . .
H15A H 0.1391 -0.7057 0.0843 0.080 Uiso 1 1 calc R . .
H15B H 0.1233 -0.5470 0.1036 0.080 Uiso 1 1 calc R . .
H15C H 0.1225 -0.6928 0.1412 0.080 Uiso 1 1 calc R . .
C16 C 0.19616(12) -0.4334(5) 0.0971(2) 0.0457(12) Uani 1 1 d . . .
H16A H 0.2164 -0.3865 0.1129 0.069 Uiso 1 1 calc R . .
H16B H 0.1787 -0.3551 0.0911 0.069 Uiso 1 1 calc R . .
H16C H 0.2025 -0.4806 0.0638 0.069 Uiso 1 1 calc R . .
C17 C 0.29030(16) -0.9331(5) -0.1137(3) 0.0723(19) Uani 1 1 d . . .
H17A H 0.2757 -0.9680 -0.1424 0.108 Uiso 1 1 calc R . .
H17B H 0.2783 -0.9479 -0.0805 0.108 Uiso 1 1 calc R . .
H17C H 0.3116 -0.9920 -0.1135 0.108 Uiso 1 1 calc R . .
C18 C 0.31099(15) -0.7494(7) -0.1736(2) 0.0641(17) Uani 1 1 d . . .
H18A H 0.3329 -0.8027 -0.1776 0.096 Uiso 1 1 calc R . .
H18B H 0.3143 -0.6402 -0.1800 0.096 Uiso 1 1 calc R . .
H18C H 0.2945 -0.7902 -0.1987 0.096 Uiso 1 1 calc R . .
C19 C 0.32406(12) -0.7349(6) -0.0803(2) 0.0551(14) Uani 1 1 d . . .
H19A H 0.3163 -0.7763 -0.0464 0.066 Uiso 1 1 calc R . .
H19B H 0.3457 -0.7870 -0.0895 0.066 Uiso 1 1 calc R . .
C20 C 0.33099(12) -0.5704(6) -0.0741(2) 0.0541(14) Uani 1 1 d . . .
H20A H 0.3507 -0.5581 -0.0502 0.065 Uiso 1 1 calc R . .
H20B H 0.3377 -0.5284 -0.1084 0.065 Uiso 1 1 calc R . .
C21 C 0.30699(15) -0.3201(5) -0.0693(2) 0.0632(16) Uani 1 1 d . . .
H21A H 0.3293 -0.2838 -0.0573 0.095 Uiso 1 1 calc R . .
H21B H 0.2889 -0.2579 -0.0536 0.095 Uiso 1 1 calc R . .
H21C H 0.3058 -0.3120 -0.1074 0.095 Uiso 1 1 calc R . .
C22 C 0.30169(12) -0.4862(5) 0.00328(17) 0.0420(11) Uani 1 1 d . . .
H22A H 0.3000 -0.5927 0.0146 0.063 Uiso 1 1 calc R . .
H22B H 0.2819 -0.4292 0.0162 0.063 Uiso 1 1 calc R . .
H22C H 0.3227 -0.4409 0.0173 0.063 Uiso 1 1 calc R . .
C23 C 0.21737(14) -0.6640(6) -0.20781(18) 0.0499(13) Uani 1 1 d . . .
H23A H 0.1988 -0.6715 -0.2334 0.075 Uiso 1 1 calc R . .
H23B H 0.2356 -0.7356 -0.2172 0.075 Uiso 1 1 calc R . .
H23C H 0.2265 -0.5599 -0.2077 0.075 Uiso 1 1 calc R . .
C24 C 0.19408(14) -0.8616(5) -0.1561(2) 0.0512(13) Uani 1 1 d . . .
H24A H 0.1845 -0.8882 -0.1220 0.077 Uiso 1 1 calc R . .
H24B H 0.2140 -0.9258 -0.1632 0.077 Uiso 1 1 calc R . .
H24C H 0.1768 -0.8783 -0.1832 0.077 Uiso 1 1 calc R . .
C25 C 0.17376(12) -0.6099(5) -0.1437(2) 0.0467(12) Uani 1 1 d . . .
H25A H 0.1643 -0.6448 -0.1099 0.056 Uiso 1 1 calc R . .
H25B H 0.1562 -0.6276 -0.1708 0.056 Uiso 1 1 calc R . .
C26 C 0.18111(13) -0.4426(5) -0.14040(19) 0.0484(13) Uani 1 1 d . . .
H26A H 0.1901 -0.4082 -0.1745 0.058 Uiso 1 1 calc R . .
H26B H 0.1594 -0.3880 -0.1341 0.058 Uiso 1 1 calc R . .
C27 C 0.21803(16) -0.2442(5) -0.1102(3) 0.0668(18) Uani 1 1 d . . .
H27A H 0.1985 -0.1743 -0.1122 0.100 Uiso 1 1 calc R . .
H27B H 0.2304 -0.2434 -0.1434 0.100 Uiso 1 1 calc R . .
H27C H 0.2334 -0.2114 -0.0821 0.100 Uiso 1 1 calc R . .
C28 C 0.18922(13) -0.3980(5) -0.04870(19) 0.0480(12) Uani 1 1 d . . .
H28A H 0.2058 -0.3689 -0.0218 0.072 Uiso 1 1 calc R . .
H28B H 0.1803 -0.5000 -0.0411 0.072 Uiso 1 1 calc R . .
H28C H 0.1703 -0.3246 -0.0489 0.072 Uiso 1 1 calc R . .
C29 C -0.01657(12) -0.7271(6) -0.54247(18) 0.0331(10) Uani 1 1 d . . .
C30 C -0.05280(13) -0.6687(6) -0.5331(2) 0.0526(14) Uani 1 1 d . A .
H30A H -0.0689 -0.7345 -0.5526 0.063 Uiso 1 1 calc R . .
H30B H -0.0581 -0.6797 -0.4955 0.063 Uiso 1 1 calc R . .
C31 C -0.05888(13) -0.5103(6) -0.5482(2) 0.0548(14) Uani 1 1 d . . .
H31A H -0.0522 -0.4982 -0.5853 0.066 Uiso 1 1 calc R A .
H31B H -0.0436 -0.4443 -0.5273 0.066 Uiso 1 1 calc R . .
C32 C -0.09573(14) -0.4520(7) -0.5418(3) 0.0739(18) Uani 1 1 d . A .
H32A H -0.1112 -0.5142 -0.5632 0.111 Uiso 1 1 calc R . .
H32B H -0.0970 -0.3455 -0.5532 0.111 Uiso 1 1 calc R . .
H32C H -0.1025 -0.4594 -0.5051 0.111 Uiso 1 1 calc R . .
C33 C -0.03958(16) -0.7258(7) -0.79024(18) 0.0646(17) Uani 1 1 d . . .
H33A H -0.0152 -0.7506 -0.7923 0.097 Uiso 1 1 calc R . .
H33B H -0.0450 -0.6469 -0.8160 0.097 Uiso 1 1 calc R . .
H33C H -0.0531 -0.8175 -0.7975 0.097 Uiso 1 1 calc R . .
C34 C -0.02446(12) -0.4744(5) -0.7135(2) 0.0488(12) Uani 1 1 d . . .
H34A H -0.0308 -0.4268 -0.6802 0.073 Uiso 1 1 calc R . .
H34B H -0.0292 -0.4036 -0.7421 0.073 Uiso 1 1 calc R . .
H34C H 0.0000 -0.4992 -0.7131 0.073 Uiso 1 1 calc R . .
C35 C -0.09579(12) -0.5922(7) -0.7254(3) 0.0746(19) Uani 1 1 d . . .
H35A H -0.1104 -0.6817 -0.7303 0.112 Uiso 1 1 calc R . .
H35B H -0.0991 -0.5214 -0.7545 0.112 Uiso 1 1 calc R . .
H35C H -0.1018 -0.5413 -0.6926 0.112 Uiso 1 1 calc R . .
C36 C -0.04174(13) -1.0754(5) -0.61992(18) 0.0461(12) Uani 1 1 d . . .
H36A H -0.0211 -1.1156 -0.6367 0.069 Uiso 1 1 calc R . .
H36B H -0.0569 -1.1600 -0.6107 0.069 Uiso 1 1 calc R . .
H36C H -0.0353 -1.0195 -0.5883 0.069 Uiso 1 1 calc R . .
C37 C -0.10849(12) -0.9115(6) -0.6384(2) 0.0657(17) Uani 1 1 d . . .
H37A H -0.1073 -0.8366 -0.6100 0.099 Uiso 1 1 calc R . .
H37B H -0.1175 -1.0079 -0.6249 0.099 Uiso 1 1 calc R . .
H37C H -0.1236 -0.8732 -0.6660 0.099 Uiso 1 1 calc R . .
C38 C -0.07169(14) -1.0573(5) -0.7267(2) 0.0543(14) Uani 1 1 d . . .
H38A H -0.0868 -1.0003 -0.7502 0.081 Uiso 1 1 calc R . .
H38B H -0.0824 -1.1547 -0.7177 0.081 Uiso 1 1 calc R . .
H38C H -0.0498 -1.0763 -0.7441 0.081 Uiso 1 1 calc R . .
C39 C 0.10912(12) -0.8571(7) -0.6717(2) 0.0609(15) Uani 1 1 d . . .
H39A H 0.1239 -0.7673 -0.6753 0.091 Uiso 1 1 calc R . .
H39B H 0.1175 -0.9386 -0.6945 0.091 Uiso 1 1 calc R . .
H39C H 0.1095 -0.8922 -0.6354 0.091 Uiso 1 1 calc R . .
C40 C 0.04007(12) -0.9895(5) -0.69403(19) 0.0459(12) Uani 1 1 d . . .
H40A H 0.0398 -1.0377 -0.6595 0.069 Uiso 1 1 calc R . .
H40B H 0.0511 -1.0577 -0.7191 0.069 Uiso 1 1 calc R . .
H40C H 0.0166 -0.9692 -0.7052 0.069 Uiso 1 1 calc R . .
C41 C 0.06706(12) -0.7307(6) -0.75892(18) 0.0433(12) Uani 1 1 d . . .
H41A H 0.0440 -0.7126 -0.7724 0.065 Uiso 1 1 calc R . .
H41B H 0.0787 -0.8054 -0.7811 0.065 Uiso 1 1 calc R . .
H41C H 0.0799 -0.6348 -0.7590 0.065 Uiso 1 1 calc R . .
C42 C 0.09974(14) -0.5611(6) -0.5772(2) 0.0663(18) Uani 1 1 d . . .
H42A H 0.0921 -0.6391 -0.5524 0.099 Uiso 1 1 calc R . .
H42B H 0.1050 -0.4669 -0.5583 0.099 Uiso 1 1 calc R . .
H42C H 0.1202 -0.5972 -0.5954 0.099 Uiso 1 1 calc R . .
C43 C 0.08553(12) -0.4046(5) -0.67826(18) 0.0439(12) Uani 1 1 d . . .
H43A H 0.1040 -0.4630 -0.6946 0.066 Uiso 1 1 calc R . .
H43B H 0.0949 -0.3116 -0.6626 0.066 Uiso 1 1 calc R . .
H43C H 0.0685 -0.3773 -0.7047 0.066 Uiso 1 1 calc R . .
C44 C 0.03371(14) -0.3925(6) -0.5938(3) 0.0694(18) Uani 1 1 d . . .
H44A H 0.0157 -0.3646 -0.6186 0.104 Uiso 1 1 calc R . .
H44B H 0.0456 -0.3003 -0.5821 0.104 Uiso 1 1 calc R . .
H44C H 0.0235 -0.4441 -0.5636 0.104 Uiso 1 1 calc R . .
C45 C 0.05249(11) -0.9870(5) -0.53087(16) 0.0367(10) Uani 1 1 d . . .
H45A H 0.0531 -0.8772 -0.5380 0.055 Uiso 1 1 calc R . .
H45B H 0.0323 -1.0318 -0.5476 0.055 Uiso 1 1 calc R . .
H45C H 0.0732 -1.0349 -0.5448 0.055 Uiso 1 1 calc R . .
C46 C 0.04926(13) -1.1773(5) -0.4649(2) 0.0503(13) Uani 1 1 d . . .
H46A H 0.0700 -1.2256 -0.4785 0.075 Uiso 1 1 calc R . .
H46B H 0.0292 -1.2204 -0.4824 0.075 Uiso 1 1 calc R . .
H46C H 0.0476 -1.1961 -0.4273 0.075 Uiso 1 1 calc R . .
C47 C 0.08126(11) -0.9514(5) -0.44884(19) 0.0452(12) Uani 1 1 d . . .
H47A H 0.1017 -0.9818 -0.4691 0.054 Uiso 1 1 calc R . .
H47B H 0.0832 -0.9973 -0.4137 0.054 Uiso 1 1 calc R . .
C48 C 0.08076(12) -0.7806(6) -0.4436(2) 0.0490(13) Uani 1 1 d . . .
H48A H 0.1033 -0.7466 -0.4305 0.059 Uiso 1 1 calc R . .
H48B H 0.0775 -0.7355 -0.4787 0.059 Uiso 1 1 calc R . .
C49 C 0.04996(16) -0.5571(5) -0.4169(2) 0.0622(16) Uani 1 1 d . . .
H49A H 0.0711 -0.5041 -0.4073 0.093 Uiso 1 1 calc R . .
H49B H 0.0312 -0.5203 -0.3949 0.093 Uiso 1 1 calc R . .
H49C H 0.0446 -0.5368 -0.4536 0.093 Uiso 1 1 calc R . .
C50 C 0.06383(15) -0.7513(7) -0.3550(2) 0.0610(16) Uani 1 1 d . . .
H50A H 0.0664 -0.8614 -0.3497 0.092 Uiso 1 1 calc R . .
H50B H 0.0460 -0.7124 -0.3317 0.092 Uiso 1 1 calc R . .
H50C H 0.0855 -0.7003 -0.3471 0.092 Uiso 1 1 calc R . .
C51 C -0.0302(5) -0.784(2) -0.3134(4) 0.076(4) Uani 0.474(11) 1 d PDU A 1
H51A H -0.0115 -0.7157 -0.3032 0.114 Uiso 0.474(11) 1 calc PR A 1
H51B H -0.0226 -0.8899 -0.3107 0.114 Uiso 0.474(11) 1 calc PR A 1
H51C H -0.0498 -0.7676 -0.2902 0.114 Uiso 0.474(11) 1 calc PR A 1
C52 C -0.0457(4) -0.5875(11) -0.3750(10) 0.066(4) Uani 0.474(11) 1 d PDU A 1
H52A H -0.0639 -0.5515 -0.3518 0.100 Uiso 0.474(11) 1 calc PR A 1
H52B H -0.0524 -0.5700 -0.4114 0.100 Uiso 0.474(11) 1 calc PR A 1
H52C H -0.0246 -0.5316 -0.3676 0.100 Uiso 0.474(11) 1 calc PR A 1
C53 C -0.0729(2) -0.8216(11) -0.3845(4) 0.044(3) Uani 0.474(11) 1 d PDU A 1
H53A H -0.0783 -0.7876 -0.4204 0.053 Uiso 0.474(11) 1 calc PR A 1
H53B H -0.0919 -0.7899 -0.3613 0.053 Uiso 0.474(11) 1 calc PR A 1
C54 C -0.0690(4) -0.9943(14) -0.3832(5) 0.048(3) Uani 0.474(11) 1 d PDU A 1
H54A H -0.0603 -1.0254 -0.3485 0.058 Uiso 0.474(11) 1 calc PR A 1
H54B H -0.0917 -1.0424 -0.3881 0.058 Uiso 0.474(11) 1 calc PR A 1
C55 C -0.0364(5) -1.2062(13) -0.4065(8) 0.047(4) Uani 0.474(11) 1 d PDU A 1
H55A H -0.0573 -1.2671 -0.4035 0.071 Uiso 0.474(11) 1 calc PR A 1
H55B H -0.0251 -1.2008 -0.3724 0.071 Uiso 0.474(11) 1 calc PR A 1
H55C H -0.0210 -1.2540 -0.4318 0.071 Uiso 0.474(11) 1 calc PR A 1
C56 C -0.0620(6) -1.064(2) -0.4748(5) 0.050(4) Uani 0.474(11) 1 d PDU A 1
H56A H -0.0453 -1.0972 -0.5010 0.075 Uiso 0.474(11) 1 calc PR A 1
H56B H -0.0713 -0.9643 -0.4850 0.075 Uiso 0.474(11) 1 calc PR A 1
H56C H -0.0805 -1.1383 -0.4725 0.075 Uiso 0.474(11) 1 calc PR A 1
C51A C -0.0235(3) -0.7052(15) -0.3166(4) 0.052(3) Uani 0.526(11) 1 d PDU A 2
H51D H -0.0410 -0.6706 -0.2920 0.078 Uiso 0.526(11) 1 calc PR A 2
H51E H -0.0073 -0.6221 -0.3233 0.078 Uiso 0.526(11) 1 calc PR A 2
H51F H -0.0113 -0.7925 -0.3018 0.078 Uiso 0.526(11) 1 calc PR A 2
C52A C -0.0578(4) -0.6142(13) -0.3827(8) 0.077(5) Uani 0.526(11) 1 d PDU A 2
H52D H -0.0693 -0.5686 -0.3525 0.116 Uiso 0.526(11) 1 calc PR A 2
H52E H -0.0748 -0.6397 -0.4094 0.116 Uiso 0.526(11) 1 calc PR A 2
H52F H -0.0413 -0.5414 -0.3970 0.116 Uiso 0.526(11) 1 calc PR A 2
C53A C -0.0622(2) -0.8830(11) -0.3512(4) 0.054(3) Uani 0.526(11) 1 d PDU A 2
H53C H -0.0823 -0.8450 -0.3316 0.064 Uiso 0.526(11) 1 calc PR A 2
H53D H -0.0492 -0.9520 -0.3280 0.064 Uiso 0.526(11) 1 calc PR A 2
C54A C -0.0742(3) -0.9708(18) -0.3988(4) 0.047(3) Uani 0.526(11) 1 d PDU A 2
H54C H -0.0917 -1.0464 -0.3882 0.056 Uiso 0.526(11) 1 calc PR A 2
H54D H -0.0849 -0.8995 -0.4239 0.056 Uiso 0.526(11) 1 calc PR A 2
C55A C -0.0307(6) -1.1766(17) -0.3935(9) 0.073(5) Uani 0.526(11) 1 d PDU A 2
H55D H -0.0493 -1.2371 -0.3784 0.110 Uiso 0.526(11) 1 calc PR A 2
H55E H -0.0164 -1.1351 -0.3654 0.110 Uiso 0.526(11) 1 calc PR A 2
H55F H -0.0167 -1.2415 -0.4162 0.110 Uiso 0.526(11) 1 calc PR A 2
C56A C -0.0570(6) -1.105(2) -0.4750(6) 0.053(4) Uani 0.526(11) 1 d PDU A 2
H56D H -0.0758 -1.1772 -0.4699 0.079 Uiso 0.526(11) 1 calc PR A 2
H56E H -0.0382 -1.1559 -0.4932 0.079 Uiso 0.526(11) 1 calc PR A 2
H56F H -0.0650 -1.0184 -0.4959 0.079 Uiso 0.526(11) 1 calc PR A 2
H1A H 0.2491(10) -0.798(5) -0.0071(16) 0.035(11) Uiso 1 1 d . . .
H1B H 0.2337(12) -0.630(5) 0.0067(19) 0.054(14) Uiso 1 1 d . . .
H29A H -0.0161(11) -0.831(5) -0.5302(18) 0.041(13) Uiso 1 1 d . . .
H29B H -0.0025(13) -0.668(6) -0.525(2) 0.062(16) Uiso 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Na1 N3 2.505(3) . ?
Na1 N6 2.533(4) . ?
Na1 N5 2.538(4) . ?
Na1 N4 2.583(4) . ?
Na1 C1 2.986(5) . ?
Na1 H1B 2.56(5) . ?
Na2 N12 2.498(4) . ?
Na2 N10 2.513(4) . ?
Na2 N11 2.573(4) . ?
Na2 N9 2.585(3) . ?
Na2 C29 3.001(5) . ?
Na2 H29A 2.48(5) . ?
Mg1 N2 2.024(3) . ?
Mg1 N1 2.036(3) . ?
Mg1 C1 2.170(4) . ?
Mg1 Si2 3.1843(16) . ?
Mg1 Si3 3.1881(16) . ?
Mg1 Si4 3.2100(16) . ?
Mg1 Si1 3.2187(15) . ?
Mg2 N8 2.019(3) . ?
Mg2 N7 2.027(3) . ?
Mg2 C29 2.177(5) . ?
Mg2 Si5 3.1756(17) . ?
Mg2 Si7 3.2027(16) . ?
Mg2 Si8 3.2115(15) . ?
Mg2 Si6 3.2244(16) . ?
Si1 N1 1.688(3) . ?
Si1 C7 1.878(4) . ?
Si1 C5 1.884(5) . ?
Si1 C6 1.895(4) . ?
Si2 N1 1.702(3) . ?
Si2 C8 1.865(5) . ?
Si2 C10 1.876(5) . ?
Si2 C9 1.883(4) . ?
Si3 N2 1.697(3) . ?
Si3 C11 1.871(4) . ?
Si3 C13 1.888(4) . ?
Si3 C12 1.889(5) . ?
Si4 N2 1.706(3) . ?
Si4 C16 1.876(5) . ?
Si4 C14 1.876(5) . ?
Si4 C15 1.889(5) . ?
Si5 N7 1.695(3) . ?
Si5 C35 1.873(5) . ?
Si5 C34 1.878(5) . ?
Si5 C33 1.882(5) . ?
Si6 N7 1.698(3) . ?
Si6 C36 1.871(5) . ?
Si6 C38 1.871(5) . ?
Si6 C37 1.888(5) . ?
Si7 N8 1.699(3) . ?
Si7 C40 1.872(5) . ?
Si7 C39 1.873(5) . ?
Si7 C41 1.875(5) . ?
Si8 N8 1.702(3) . ?
Si8 C44 1.867(5) . ?
Si8 C43 1.873(4) . ?
Si8 C42 1.887(5) . ?
N3 C17 1.457(6) . ?
N3 C18 1.464(6) . ?
N3 C19 1.483(6) . ?
N4 C22 1.464(5) . ?
N4 C20 1.465(6) . ?
N4 C21 1.467(5) . ?
N5 C23 1.455(5) . ?
N5 C24 1.463(5) . ?
N5 C25 1.475(5) . ?
N6 C28 1.449(6) . ?
N6 C27 1.463(6) . ?
N6 C26 1.479(6) . ?
N9 C45 1.463(5) . ?
N9 C47 1.464(5) . ?
N9 C46 1.470(5) . ?
N10 C48 1.456(6) . ?
N10 C50 1.460(6) . ?
N10 C49 1.464(6) . ?
N11 C51 1.444(9) . ?
N11 C52A 1.449(8) . ?
N11 C52 1.471(9) . ?
N11 C51A 1.491(8) . ?
N11 C53A 1.494(7) . ?
N11 C53 1.497(8) . ?
N12 C56 1.456(9) . ?
N12 C56A 1.461(8) . ?
N12 C55A 1.474(9) . ?
N12 C55 1.482(9) . ?
N12 C54A 1.485(8) . ?
N12 C54 1.490(8) . ?
C1 C2 1.531(6) . ?
C1 H1A 0.97(4) . ?
C1 H1B 1.01(5) . ?
C2 C3 1.507(6) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.525(6) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
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 C20 1.477(7) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
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 1.498(6) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
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 C30 1.526(6) . ?
C29 H29A 0.97(4) . ?
C29 H29B 0.88(5) . ?
C30 C31 1.462(7) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.538(7) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
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 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 C48 1.504(6) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
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 C54 1.523(9) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C51A H51D 0.9800 . ?
C51A H51E 0.9800 . ?
C51A H51F 0.9800 . ?
C52A H52D 0.9800 . ?
C52A H52E 0.9800 . ?
C52A H52F 0.9800 . ?
C53A C54A 1.517(9) . ?
C53A H53C 0.9900 . ?
C53A H53D 0.9900 . ?
C54A H54C 0.9900 . ?
C54A H54D 0.9900 . ?
C55A H55D 0.9800 . ?
C55A H55E 0.9800 . ?
C55A H55F 0.9800 . ?
C56A H56D 0.9800 . ?
C56A H56E 0.9800 . ?
C56A H56F 0.9800 . ?

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
N3 Na1 N6 153.75(13) . . ?
N3 Na1 N5 98.83(12) . . ?
N6 Na1 N5 73.35(12) . . ?
N3 Na1 N4 74.61(12) . . ?
N6 Na1 N4 103.65(12) . . ?
N5 Na1 N4 159.21(13) . . ?
N3 Na1 C1 102.87(12) . . ?
N6 Na1 C1 103.34(12) . . ?
N5 Na1 C1 110.22(12) . . ?
N4 Na1 C1 90.54(12) . . ?
N3 Na1 H1B 116.3(11) . . ?
N6 Na1 H1B 88.9(11) . . ?
N5 Na1 H1B 118.1(11) . . ?
N4 Na1 H1B 81.9(11) . . ?
C1 Na1 H1B 19.0(10) . . ?
N12 Na2 N10 151.93(14) . . ?
N12 Na2 N11 72.99(12) . . ?
N10 Na2 N11 98.81(13) . . ?
N12 Na2 N9 103.08(12) . . ?
N10 Na2 N9 73.68(12) . . ?
N11 Na2 N9 156.79(14) . . ?
N12 Na2 C29 102.35(14) . . ?
N10 Na2 C29 105.61(13) . . ?
N11 Na2 C29 111.23(14) . . ?
N9 Na2 C29 91.97(12) . . ?
N12 Na2 H29A 89.7(11) . . ?
N10 Na2 H29A 117.0(11) . . ?
N11 Na2 H29A 118.9(10) . . ?
N9 Na2 H29A 83.5(10) . . ?
C29 Na2 H29A 17.2(10) . . ?
N2 Mg1 N1 122.63(14) . . ?
N2 Mg1 C1 117.75(15) . . ?
N1 Mg1 C1 119.60(15) . . ?
N2 Mg1 Si2 102.44(10) . . ?
N1 Mg1 Si2 28.57(9) . . ?
C1 Mg1 Si2 133.68(12) . . ?
N2 Mg1 Si3 28.13(9) . . ?
N1 Mg1 Si3 105.67(10) . . ?
C1 Mg1 Si3 129.55(12) . . ?
Si2 Mg1 Si3 96.75(5) . . ?
N2 Mg1 Si4 27.82(9) . . ?
N1 Mg1 Si4 135.31(11) . . ?
C1 Mg1 Si4 98.99(12) . . ?
Si2 Mg1 Si4 107.72(5) . . ?
Si3 Mg1 Si4 55.89(4) . . ?
N2 Mg1 Si1 134.43(10) . . ?
N1 Mg1 Si1 27.20(9) . . ?
C1 Mg1 Si1 102.80(12) . . ?
Si2 Mg1 Si1 55.71(4) . . ?
Si3 Mg1 Si1 108.53(5) . . ?
Si4 Mg1 Si1 158.21(6) . . ?
N8 Mg2 N7 123.22(14) . . ?
N8 Mg2 C29 120.72(16) . . ?
N7 Mg2 C29 116.04(16) . . ?
N8 Mg2 Si5 105.48(11) . . ?
N7 Mg2 Si5 28.43(9) . . ?
C29 Mg2 Si5 128.87(13) . . ?
N8 Mg2 Si7 27.71(9) . . ?
N7 Mg2 Si7 103.06(10) . . ?
C29 Mg2 Si7 135.15(13) . . ?
Si5 Mg2 Si7 95.97(5) . . ?
N8 Mg2 Si8 27.59(9) . . ?
N7 Mg2 Si8 137.17(11) . . ?
C29 Mg2 Si8 101.99(14) . . ?
Si5 Mg2 Si8 110.70(5) . . ?
Si7 Mg2 Si8 55.29(4) . . ?
N8 Mg2 Si6 135.34(11) . . ?
N7 Mg2 Si6 27.23(9) . . ?
C29 Mg2 Si6 98.04(14) . . ?
Si5 Mg2 Si6 55.63(4) . . ?
Si7 Mg2 Si6 108.43(5) . . ?
Si8 Mg2 Si6 159.93(6) . . ?
N1 Si1 C7 114.44(18) . . ?
N1 Si1 C5 111.95(17) . . ?
C7 Si1 C5 105.2(2) . . ?
N1 Si1 C6 113.69(18) . . ?
C7 Si1 C6 105.3(2) . . ?
C5 Si1 C6 105.5(2) . . ?
N1 Si1 Mg1 33.45(11) . . ?
C7 Si1 Mg1 127.60(15) . . ?
C5 Si1 Mg1 78.52(13) . . ?
C6 Si1 Mg1 124.42(14) . . ?
N1 Si2 C8 111.25(18) . . ?
N1 Si2 C10 113.27(18) . . ?
C8 Si2 C10 106.2(2) . . ?
N1 Si2 C9 114.11(19) . . ?
C8 Si2 C9 105.9(2) . . ?
C10 Si2 C9 105.5(2) . . ?
N1 Si2 Mg1 34.88(10) . . ?
C8 Si2 Mg1 78.44(14) . . ?
C10 Si2 Mg1 113.75(15) . . ?
C9 Si2 Mg1 137.62(16) . . ?
N2 Si3 C11 110.41(17) . . ?
N2 Si3 C13 114.54(19) . . ?
C11 Si3 C13 104.9(2) . . ?
N2 Si3 C12 114.1(2) . . ?
C11 Si3 C12 106.3(2) . . ?
C13 Si3 C12 105.9(2) . . ?
N2 Si3 Mg1 34.22(11) . . ?
C11 Si3 Mg1 76.30(13) . . ?
C13 Si3 Mg1 128.39(17) . . ?
C12 Si3 Mg1 123.62(16) . . ?
N2 Si4 C16 111.39(18) . . ?
N2 Si4 C14 113.9(2) . . ?
C16 Si4 C14 106.3(2) . . ?
N2 Si4 C15 113.67(19) . . ?
C16 Si4 C15 105.9(2) . . ?
C14 Si4 C15 105.1(3) . . ?
N2 Si4 Mg1 33.63(11) . . ?
C16 Si4 Mg1 78.66(14) . . ?
C14 Si4 Mg1 133.66(19) . . ?
C15 Si4 Mg1 117.99(17) . . ?
N7 Si5 C35 113.9(2) . . ?
N7 Si5 C34 110.85(19) . . ?
C35 Si5 C34 105.8(2) . . ?
N7 Si5 C33 113.4(2) . . ?
C35 Si5 C33 105.8(3) . . ?
C34 Si5 C33 106.6(3) . . ?
N7 Si5 Mg2 34.71(10) . . ?
C35 Si5 Mg2 129.6(2) . . ?
C34 Si5 Mg2 76.36(15) . . ?
C33 Si5 Mg2 122.08(19) . . ?
N7 Si6 C36 110.81(17) . . ?
N7 Si6 C38 114.3(2) . . ?
C36 Si6 C38 105.6(2) . . ?
N7 Si6 C37 114.20(19) . . ?
C36 Si6 C37 106.8(3) . . ?
C38 Si6 C37 104.4(3) . . ?
N7 Si6 Mg2 33.11(11) . . ?
C36 Si6 Mg2 78.85(14) . . ?
C38 Si6 Mg2 134.24(18) . . ?
C37 Si6 Mg2 118.01(18) . . ?
N8 Si7 C40 110.38(18) . . ?
N8 Si7 C39 113.6(2) . . ?
C40 Si7 C39 106.2(2) . . ?
N8 Si7 C41 113.70(19) . . ?
C40 Si7 C41 106.6(2) . . ?
C39 Si7 C41 105.8(2) . . ?
N8 Si7 Mg2 33.55(10) . . ?
C40 Si7 Mg2 77.88(14) . . ?
C39 Si7 Mg2 133.39(17) . . ?
C41 Si7 Mg2 117.59(15) . . ?
N8 Si8 C44 111.10(18) . . ?
N8 Si8 C43 114.91(19) . . ?
C44 Si8 C43 105.0(2) . . ?
N8 Si8 C42 113.6(2) . . ?
C44 Si8 C42 106.5(3) . . ?
C43 Si8 C42 105.0(2) . . ?
N8 Si8 Mg2 33.32(10) . . ?
C44 Si8 Mg2 78.40(15) . . ?
C43 Si8 Mg2 132.58(16) . . ?
C42 Si8 Mg2 119.54(16) . . ?
Si1 N1 Si2 123.90(18) . . ?
Si1 N1 Mg1 119.35(17) . . ?
Si2 N1 Mg1 116.55(17) . . ?
Si3 N2 Si4 123.57(19) . . ?
Si3 N2 Mg1 117.65(17) . . ?
Si4 N2 Mg1 118.54(17) . . ?
C17 N3 C18 108.4(4) . . ?
C17 N3 C19 105.8(4) . . ?
C18 N3 C19 112.4(4) . . ?
C17 N3 Na1 109.9(3) . . ?
C18 N3 Na1 118.5(3) . . ?
C19 N3 Na1 101.1(3) . . ?
C22 N4 C20 110.4(4) . . ?
C22 N4 C21 108.0(4) . . ?
C20 N4 C21 109.2(4) . . ?
C22 N4 Na1 109.2(3) . . ?
C20 N4 Na1 104.3(3) . . ?
C21 N4 Na1 115.6(3) . . ?
C23 N5 C24 108.2(4) . . ?
C23 N5 C25 111.1(4) . . ?
C24 N5 C25 107.4(4) . . ?
C23 N5 Na1 107.3(3) . . ?
C24 N5 Na1 118.7(3) . . ?
C25 N5 Na1 104.2(3) . . ?
C28 N6 C27 108.3(4) . . ?
C28 N6 C26 110.3(4) . . ?
C27 N6 C26 108.7(4) . . ?
C28 N6 Na1 102.6(3) . . ?
C27 N6 Na1 119.2(3) . . ?
C26 N6 Na1 107.6(2) . . ?
Si5 N7 Si6 123.39(18) . . ?
Si5 N7 Mg2 116.86(16) . . ?
Si6 N7 Mg2 119.67(18) . . ?
Si7 N8 Si8 122.14(18) . . ?
Si7 N8 Mg2 118.74(17) . . ?
Si8 N8 Mg2 119.09(17) . . ?
C45 N9 C47 110.5(4) . . ?
C45 N9 C46 108.5(3) . . ?
C47 N9 C46 108.4(4) . . ?
C45 N9 Na2 108.7(2) . . ?
C47 N9 Na2 104.9(2) . . ?
C46 N9 Na2 115.7(3) . . ?
C48 N10 C50 109.4(4) . . ?
C48 N10 C49 110.6(4) . . ?
C50 N10 C49 109.7(4) . . ?
C48 N10 Na2 104.7(3) . . ?
C50 N10 Na2 113.5(3) . . ?
C49 N10 Na2 108.8(3) . . ?
C51 N11 C52A 124.1(12) . . ?
C51 N11 C52 111.8(12) . . ?
C52A N11 C52 22.2(9) . . ?
C51 N11 C51A 29.2(7) . . ?
C52A N11 C51A 103.1(9) . . ?
C52 N11 C51A 85.8(10) . . ?
C51 N11 C53A 75.9(8) . . ?
C52A N11 C53A 116.1(9) . . ?
C52 N11 C53A 135.0(9) . . ?
C51A N11 C53A 103.7(6) . . ?
C51 N11 C53 116.1(9) . . ?
C52A N11 C53 81.0(8) . . ?
C52 N11 C53 103.2(7) . . ?
C51A N11 C53 138.5(7) . . ?
C53A N11 C53 42.8(5) . . ?
C51 N11 Na2 115.3(8) . . ?
C52A N11 Na2 112.9(10) . . ?
C52 N11 Na2 109.5(10) . . ?
C51A N11 Na2 115.4(6) . . ?
C53A N11 Na2 105.6(4) . . ?
C53 N11 Na2 99.8(4) . . ?
C56 N12 C56A 16.2(14) . . ?
C56 N12 C55A 126.1(12) . . ?
C56A N12 C55A 110.6(11) . . ?
C56 N12 C55 107.7(11) . . ?
C56A N12 C55 92.5(12) . . ?
C55A N12 C55 18.6(13) . . ?
C56 N12 C54A 94.8(10) . . ?
C56A N12 C54A 107.6(9) . . ?
C55A N12 C54A 114.3(13) . . ?
C55 N12 C54A 118.4(12) . . ?
C56 N12 C54 111.9(11) . . ?
C56A N12 C54 122.6(11) . . ?
C55A N12 C54 96.3(12) . . ?
C55 N12 C54 103.4(11) . . ?
C54A N12 C54 19.2(8) . . ?
C56 N12 Na2 105.2(10) . . ?
C56A N12 Na2 109.6(10) . . ?
C55A N12 Na2 108.0(10) . . ?
C55 N12 Na2 120.5(9) . . ?
C54A N12 Na2 106.5(7) . . ?
C54 N12 Na2 108.3(6) . . ?
C2 C1 Mg1 113.6(3) . . ?
C2 C1 Na1 97.0(3) . . ?
Mg1 C1 Na1 147.96(19) . . ?
C2 C1 H1A 106(2) . . ?
Mg1 C1 H1A 114(2) . . ?
Na1 C1 H1A 63(2) . . ?
C2 C1 H1B 109(3) . . ?
Mg1 C1 H1B 103(3) . . ?
Na1 C1 H1B 56(3) . . ?
H1A C1 H1B 111(4) . . ?
C3 C2 C1 113.8(4) . . ?
C3 C2 H2A 108.8 . . ?
C1 C2 H2A 108.8 . . ?
C3 C2 H2B 108.8 . . ?
C1 C2 H2B 108.8 . . ?
H2A C2 H2B 107.7 . . ?
C2 C3 C4 114.3(4) . . ?
C2 C3 H3A 108.7 . . ?
C4 C3 H3A 108.7 . . ?
C2 C3 H3B 108.7 . . ?
C4 C3 H3B 108.7 . . ?
H3A C3 H3B 107.6 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si1 C5 H5A 109.5 . . ?
Si1 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si1 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si1 C7 H7A 109.5 . . ?
Si1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B 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 H9A 109.5 . . ?
Si2 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si2 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
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 . . ?
Si3 C11 H11A 109.5 . . ?
Si3 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si3 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si3 C12 H12A 109.5 . . ?
Si3 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si3 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si3 C13 H13A 109.5 . . ?
Si3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si4 C14 H14A 109.5 . . ?
Si4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si4 C15 H15A 109.5 . . ?
Si4 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si4 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si4 C16 H16A 109.5 . . ?
Si4 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si4 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N3 C17 H17A 109.5 . . ?
N3 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
N3 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N3 C18 H18A 109.5 . . ?
N3 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N3 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 N3 114.5(4) . . ?
C20 C19 H19A 108.6 . . ?
N3 C19 H19A 108.6 . . ?
C20 C19 H19B 108.6 . . ?
N3 C19 H19B 108.6 . . ?
H19A C19 H19B 107.6 . . ?
N4 C20 C19 115.3(4) . . ?
N4 C20 H20A 108.4 . . ?
C19 C20 H20A 108.4 . . ?
N4 C20 H20B 108.4 . . ?
C19 C20 H20B 108.4 . . ?
H20A C20 H20B 107.5 . . ?
N4 C21 H21A 109.5 . . ?
N4 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
N4 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N4 C22 H22A 109.5 . . ?
N4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N5 C23 H23A 109.5 . . ?
N5 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N5 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N5 C24 H24A 109.5 . . ?
N5 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
N5 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N5 C25 C26 112.8(4) . . ?
N5 C25 H25A 109.0 . . ?
C26 C25 H25A 109.0 . . ?
N5 C25 H25B 109.0 . . ?
C26 C25 H25B 109.0 . . ?
H25A C25 H25B 107.8 . . ?
N6 C26 C25 114.9(4) . . ?
N6 C26 H26A 108.5 . . ?
C25 C26 H26A 108.5 . . ?
N6 C26 H26B 108.5 . . ?
C25 C26 H26B 108.5 . . ?
H26A C26 H26B 107.5 . . ?
N6 C27 H27A 109.5 . . ?
N6 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
N6 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N6 C28 H28A 109.5 . . ?
N6 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
N6 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 Mg2 112.2(3) . . ?
C30 C29 Na2 101.0(3) . . ?
Mg2 C29 Na2 144.9(2) . . ?
C30 C29 H29A 107(3) . . ?
Mg2 C29 H29A 108(3) . . ?
Na2 C29 H29A 49(3) . . ?
C30 C29 H29B 107(3) . . ?
Mg2 C29 H29B 111(3) . . ?
Na2 C29 H29B 67(3) . . ?
H29A C29 H29B 112(4) . . ?
C31 C30 C29 115.4(4) . . ?
C31 C30 H30A 108.4 . . ?
C29 C30 H30A 108.4 . . ?
C31 C30 H30B 108.4 . . ?
C29 C30 H30B 108.4 . . ?
H30A C30 H30B 107.5 . . ?
C30 C31 C32 116.1(5) . . ?
C30 C31 H31A 108.3 . . ?
C32 C31 H31A 108.3 . . ?
C30 C31 H31B 108.3 . . ?
C32 C31 H31B 108.3 . . ?
H31A C31 H31B 107.4 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si5 C33 H33A 109.5 . . ?
Si5 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si5 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si5 C34 H34A 109.5 . . ?
Si5 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
Si5 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si5 C35 H35A 109.5 . . ?
Si5 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
Si5 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si6 C36 H36A 109.5 . . ?
Si6 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
Si6 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
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 . . ?
Si7 C39 H39A 109.5 . . ?
Si7 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
Si7 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si7 C40 H40A 109.5 . . ?
Si7 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
Si7 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si7 C41 H41A 109.5 . . ?
Si7 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si7 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si8 C42 H42A 109.5 . . ?
Si8 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
Si8 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Si8 C43 H43A 109.5 . . ?
Si8 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
Si8 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
Si8 C44 H44A 109.5 . . ?
Si8 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
Si8 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
N9 C45 H45A 109.5 . . ?
N9 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
N9 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
N9 C46 H46A 109.5 . . ?
N9 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
N9 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
N9 C47 C48 113.1(4) . . ?
N9 C47 H47A 109.0 . . ?
C48 C47 H47A 109.0 . . ?
N9 C47 H47B 109.0 . . ?
C48 C47 H47B 109.0 . . ?
H47A C47 H47B 107.8 . . ?
N10 C48 C47 114.8(4) . . ?
N10 C48 H48A 108.6 . . ?
C47 C48 H48A 108.6 . . ?
N10 C48 H48B 108.6 . . ?
C47 C48 H48B 108.6 . . ?
H48A C48 H48B 107.6 . . ?
N10 C49 H49A 109.5 . . ?
N10 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
N10 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
N10 C50 H50A 109.5 . . ?
N10 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
N10 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
N11 C51 H51A 109.5 . . ?
N11 C51 H51B 109.5 . . ?
N11 C51 H51C 109.5 . . ?
N11 C52 H52A 109.5 . . ?
N11 C52 H52B 109.5 . . ?
N11 C52 H52C 109.5 . . ?
N11 C53 C54 108.4(10) . . ?
N11 C53 H53A 110.0 . . ?
C54 C53 H53A 110.0 . . ?
N11 C53 H53B 110.0 . . ?
C54 C53 H53B 110.0 . . ?
H53A C53 H53B 108.4 . . ?
N12 C54 C53 112.0(8) . . ?
N12 C54 H54A 109.2 . . ?
C53 C54 H54A 109.2 . . ?
N12 C54 H54B 109.2 . . ?
C53 C54 H54B 109.2 . . ?
H54A C54 H54B 107.9 . . ?
N12 C55 H55A 109.5 . . ?
N12 C55 H55B 109.5 . . ?
N12 C55 H55C 109.5 . . ?
N12 C56 H56A 109.5 . . ?
N12 C56 H56B 109.5 . . ?
N12 C56 H56C 109.5 . . ?
N11 C51A H51D 109.5 . . ?
N11 C51A H51E 109.5 . . ?
H51D C51A H51E 109.5 . . ?
N11 C51A H51F 109.5 . . ?
H51D C51A H51F 109.5 . . ?
H51E C51A H51F 109.5 . . ?
N11 C52A H52D 109.5 . . ?
N11 C52A H52E 109.5 . . ?
H52D C52A H52E 109.5 . . ?
N11 C52A H52F 109.5 . . ?
H52D C52A H52F 109.5 . . ?
H52E C52A H52F 109.5 . . ?
N11 C53A C54A 111.1(10) . . ?
N11 C53A H53C 109.4 . . ?
C54A C53A H53C 109.4 . . ?
N11 C53A H53D 109.4 . . ?
C54A C53A H53D 109.4 . . ?
H53C C53A H53D 108.0 . . ?
N12 C54A C53A 110.7(8) . . ?
N12 C54A H54C 109.5 . . ?
C53A C54A H54C 109.5 . . ?
N12 C54A H54D 109.5 . . ?
C53A C54A H54D 109.5 . . ?
H54C C54A H54D 108.1 . . ?
N12 C55A H55D 109.5 . . ?
N12 C55A H55E 109.5 . . ?
H55D C55A H55E 109.5 . . ?
N12 C55A H55F 109.5 . . ?
H55D C55A H55F 109.5 . . ?
H55E C55A H55F 109.5 . . ?
N12 C56A H56D 109.5 . . ?
N12 C56A H56E 109.5 . . ?
H56D C56A H56E 109.5 . . ?
N12 C56A H56F 109.5 . . ?
H56D C56A H56F 109.5 . . ?
H56E C56A H56F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Mg1 Si1 N1 -75.2(2) . . . . ?
C1 Mg1 Si1 N1 131.8(2) . . . . ?
Si2 Mg1 Si1 N1 -2.84(19) . . . . ?
Si3 Mg1 Si1 N1 -88.3(2) . . . . ?
Si4 Mg1 Si1 N1 -47.3(2) . . . . ?
N2 Mg1 Si1 C7 2.2(3) . . . . ?
N1 Mg1 Si1 C7 77.4(3) . . . . ?
C1 Mg1 Si1 C7 -150.8(2) . . . . ?
Si2 Mg1 Si1 C7 74.6(2) . . . . ?
Si3 Mg1 Si1 C7 -10.9(2) . . . . ?
Si4 Mg1 Si1 C7 30.1(3) . . . . ?
N2 Mg1 Si1 C5 102.6(2) . . . . ?
N1 Mg1 Si1 C5 177.8(3) . . . . ?
C1 Mg1 Si1 C5 -50.4(2) . . . . ?
Si2 Mg1 Si1 C5 174.95(17) . . . . ?
Si3 Mg1 Si1 C5 89.46(17) . . . . ?
Si4 Mg1 Si1 C5 130.5(2) . . . . ?
N2 Mg1 Si1 C6 -156.3(2) . . . . ?
N1 Mg1 Si1 C6 -81.2(3) . . . . ?
C1 Mg1 Si1 C6 50.6(2) . . . . ?
Si2 Mg1 Si1 C6 -84.0(2) . . . . ?
Si3 Mg1 Si1 C6 -169.5(2) . . . . ?
Si4 Mg1 Si1 C6 -128.5(2) . . . . ?
N2 Mg1 Si2 N1 138.5(2) . . . . ?
C1 Mg1 Si2 N1 -71.0(3) . . . . ?
Si3 Mg1 Si2 N1 110.58(19) . . . . ?
Si4 Mg1 Si2 N1 166.87(19) . . . . ?
Si1 Mg1 Si2 N1 2.72(18) . . . . ?
N2 Mg1 Si2 C8 -61.31(19) . . . . ?
N1 Mg1 Si2 C8 160.1(2) . . . . ?
C1 Mg1 Si2 C8 89.1(2) . . . . ?
Si3 Mg1 Si2 C8 -89.28(16) . . . . ?
Si4 Mg1 Si2 C8 -32.99(17) . . . . ?
Si1 Mg1 Si2 C8 162.86(17) . . . . ?
N2 Mg1 Si2 C10 41.45(19) . . . . ?
N1 Mg1 Si2 C10 -97.1(2) . . . . ?
C1 Mg1 Si2 C10 -168.1(2) . . . . ?
Si3 Mg1 Si2 C10 13.49(17) . . . . ?
Si4 Mg1 Si2 C10 69.78(17) . . . . ?
Si1 Mg1 Si2 C10 -94.38(17) . . . . ?
N2 Mg1 Si2 C9 -162.3(3) . . . . ?
N1 Mg1 Si2 C9 59.2(3) . . . . ?
C1 Mg1 Si2 C9 -11.8(3) . . . . ?
Si3 Mg1 Si2 C9 169.8(3) . . . . ?
Si4 Mg1 Si2 C9 -133.9(3) . . . . ?
Si1 Mg1 Si2 C9 61.9(3) . . . . ?
N1 Mg1 Si3 N2 131.5(2) . . . . ?
C1 Mg1 Si3 N2 -74.7(2) . . . . ?
Si2 Mg1 Si3 N2 103.8(2) . . . . ?
Si4 Mg1 Si3 N2 -3.05(19) . . . . ?
Si1 Mg1 Si3 N2 159.8(2) . . . . ?
N2 Mg1 Si3 C11 175.4(2) . . . . ?
N1 Mg1 Si3 C11 -53.09(17) . . . . ?
C1 Mg1 Si3 C11 100.7(2) . . . . ?
Si2 Mg1 Si3 C11 -80.80(14) . . . . ?
Si4 Mg1 Si3 C11 172.35(15) . . . . ?
Si1 Mg1 Si3 C11 -24.76(15) . . . . ?
N2 Mg1 Si3 C13 77.1(3) . . . . ?
N1 Mg1 Si3 C13 -151.4(2) . . . . ?
C1 Mg1 Si3 C13 2.4(3) . . . . ?
Si2 Mg1 Si3 C13 -179.08(19) . . . . ?
Si4 Mg1 Si3 C13 74.1(2) . . . . ?
Si1 Mg1 Si3 C13 -123.0(2) . . . . ?
N2 Mg1 Si3 C12 -83.9(3) . . . . ?
N1 Mg1 Si3 C12 47.6(2) . . . . ?
C1 Mg1 Si3 C12 -158.6(2) . . . . ?
Si2 Mg1 Si3 C12 19.90(19) . . . . ?
Si4 Mg1 Si3 C12 -86.95(19) . . . . ?
Si1 Mg1 Si3 C12 75.94(19) . . . . ?
N1 Mg1 Si4 N2 -74.2(2) . . . . ?
C1 Mg1 Si4 N2 135.3(2) . . . . ?
Si2 Mg1 Si4 N2 -83.1(2) . . . . ?
Si3 Mg1 Si4 N2 3.08(19) . . . . ?
Si1 Mg1 Si4 N2 -45.6(2) . . . . ?
N2 Mg1 Si4 C16 166.6(3) . . . . ?
N1 Mg1 Si4 C16 92.5(2) . . . . ?
C1 Mg1 Si4 C16 -58.1(2) . . . . ?
Si2 Mg1 Si4 C16 83.59(17) . . . . ?
Si3 Mg1 Si4 C16 169.73(17) . . . . ?
Si1 Mg1 Si4 C16 121.0(2) . . . . ?
N2 Mg1 Si4 C14 64.9(3) . . . . ?
N1 Mg1 Si4 C14 -9.3(3) . . . . ?
C1 Mg1 Si4 C14 -159.9(3) . . . . ?
Si2 Mg1 Si4 C14 -18.2(3) . . . . ?
Si3 Mg1 Si4 C14 68.0(3) . . . . ?
Si1 Mg1 Si4 C14 19.2(3) . . . . ?
N2 Mg1 Si4 C15 -91.2(3) . . . . ?
N1 Mg1 Si4 C15 -165.4(2) . . . . ?
C1 Mg1 Si4 C15 44.0(2) . . . . ?
Si2 Mg1 Si4 C15 -174.30(18) . . . . ?
Si3 Mg1 Si4 C15 -88.16(19) . . . . ?
Si1 Mg1 Si4 C15 -136.9(2) . . . . ?
N8 Mg2 Si5 N7 133.0(2) . . . . ?
C29 Mg2 Si5 N7 -72.3(3) . . . . ?
Si7 Mg2 Si5 N7 106.51(19) . . . . ?
Si8 Mg2 Si5 N7 161.6(2) . . . . ?
Si6 Mg2 Si5 N7 -1.76(19) . . . . ?
N8 Mg2 Si5 C35 -152.8(3) . . . . ?
N7 Mg2 Si5 C35 74.2(3) . . . . ?
C29 Mg2 Si5 C35 1.9(3) . . . . ?
Si7 Mg2 Si5 C35 -179.3(3) . . . . ?
Si8 Mg2 Si5 C35 -124.3(3) . . . . ?
Si6 Mg2 Si5 C35 72.4(3) . . . . ?
N8 Mg2 Si5 C34 -53.45(19) . . . . ?
N7 Mg2 Si5 C34 173.5(3) . . . . ?
C29 Mg2 Si5 C34 101.2(2) . . . . ?
Si7 Mg2 Si5 C34 -79.98(17) . . . . ?
Si8 Mg2 Si5 C34 -24.91(17) . . . . ?
Si6 Mg2 Si5 C34 171.74(17) . . . . ?
N8 Mg2 Si5 C33 47.7(3) . . . . ?
N7 Mg2 Si5 C33 -85.3(3) . . . . ?
C29 Mg2 Si5 C33 -157.6(3) . . . . ?
Si7 Mg2 Si5 C33 21.2(2) . . . . ?
Si8 Mg2 Si5 C33 76.3(2) . . . . ?
Si6 Mg2 Si5 C33 -87.1(2) . . . . ?
N8 Mg2 Si6 N7 -74.7(2) . . . . ?
C29 Mg2 Si6 N7 134.0(2) . . . . ?
Si5 Mg2 Si6 N7 1.83(19) . . . . ?
Si7 Mg2 Si6 N7 -82.7(2) . . . . ?
Si8 Mg2 Si6 N7 -49.5(2) . . . . ?
N8 Mg2 Si6 C36 90.1(2) . . . . ?
N7 Mg2 Si6 C36 164.8(3) . . . . ?
C29 Mg2 Si6 C36 -61.2(2) . . . . ?
Si5 Mg2 Si6 C36 166.63(17) . . . . ?
Si7 Mg2 Si6 C36 82.09(17) . . . . ?
Si8 Mg2 Si6 C36 115.3(2) . . . . ?
N8 Mg2 Si6 C38 -10.9(3) . . . . ?
N7 Mg2 Si6 C38 63.8(3) . . . . ?
C29 Mg2 Si6 C38 -162.2(3) . . . . ?
Si5 Mg2 Si6 C38 65.6(2) . . . . ?
Si7 Mg2 Si6 C38 -18.9(2) . . . . ?
Si8 Mg2 Si6 C38 14.3(3) . . . . ?
N8 Mg2 Si6 C37 -166.7(3) . . . . ?
N7 Mg2 Si6 C37 -92.0(3) . . . . ?
C29 Mg2 Si6 C37 42.0(3) . . . . ?
Si5 Mg2 Si6 C37 -90.1(2) . . . . ?
Si7 Mg2 Si6 C37 -174.7(2) . . . . ?
Si8 Mg2 Si6 C37 -141.5(2) . . . . ?
N7 Mg2 Si7 N8 140.1(2) . . . . ?
C29 Mg2 Si7 N8 -69.1(3) . . . . ?
Si5 Mg2 Si7 N8 112.2(2) . . . . ?
Si8 Mg2 Si7 N8 1.1(2) . . . . ?
Si6 Mg2 Si7 N8 167.9(2) . . . . ?
N8 Mg2 Si7 C40 165.5(3) . . . . ?
N7 Mg2 Si7 C40 -54.32(19) . . . . ?
C29 Mg2 Si7 C40 96.4(3) . . . . ?
Si5 Mg2 Si7 C40 -82.26(17) . . . . ?
Si8 Mg2 Si7 C40 166.65(17) . . . . ?
Si6 Mg2 Si7 C40 -26.55(17) . . . . ?
N8 Mg2 Si7 C39 64.6(3) . . . . ?
N7 Mg2 Si7 C39 -155.3(3) . . . . ?
C29 Mg2 Si7 C39 -4.6(3) . . . . ?
Si5 Mg2 Si7 C39 176.8(3) . . . . ?
Si8 Mg2 Si7 C39 65.7(3) . . . . ?
Si6 Mg2 Si7 C39 -127.5(3) . . . . ?
N8 Mg2 Si7 C41 -91.9(3) . . . . ?
N7 Mg2 Si7 C41 48.3(2) . . . . ?
C29 Mg2 Si7 C41 -161.0(3) . . . . ?
Si5 Mg2 Si7 C41 20.34(18) . . . . ?
Si8 Mg2 Si7 C41 -90.75(18) . . . . ?
Si6 Mg2 Si7 C41 76.05(18) . . . . ?
N7 Mg2 Si8 N8 -71.1(2) . . . . ?
C29 Mg2 Si8 N8 136.2(3) . . . . ?
Si5 Mg2 Si8 N8 -83.8(2) . . . . ?
Si7 Mg2 Si8 N8 -1.1(2) . . . . ?
Si6 Mg2 Si8 N8 -40.3(2) . . . . ?
N8 Mg2 Si8 C44 168.9(3) . . . . ?
N7 Mg2 Si8 C44 97.9(3) . . . . ?
C29 Mg2 Si8 C44 -54.9(3) . . . . ?
Si5 Mg2 Si8 C44 85.1(2) . . . . ?
Si7 Mg2 Si8 C44 167.8(2) . . . . ?
Si6 Mg2 Si8 C44 128.7(3) . . . . ?
N8 Mg2 Si8 C43 69.1(3) . . . . ?
N7 Mg2 Si8 C43 -2.0(3) . . . . ?
C29 Mg2 Si8 C43 -154.7(2) . . . . ?
Si5 Mg2 Si8 C43 -14.7(2) . . . . ?
Si7 Mg2 Si8 C43 68.0(2) . . . . ?
Si6 Mg2 Si8 C43 28.8(3) . . . . ?
N8 Mg2 Si8 C42 -88.6(3) . . . . ?
N7 Mg2 Si8 C42 -159.7(3) . . . . ?
C29 Mg2 Si8 C42 47.6(3) . . . . ?
Si5 Mg2 Si8 C42 -172.4(2) . . . . ?
Si7 Mg2 Si8 C42 -89.7(2) . . . . ?
Si6 Mg2 Si8 C42 -128.9(3) . . . . ?
C7 Si1 N1 Si2 52.8(3) . . . . ?
C5 Si1 N1 Si2 172.4(2) . . . . ?
C6 Si1 N1 Si2 -68.2(3) . . . . ?
Mg1 Si1 N1 Si2 174.7(4) . . . . ?
C7 Si1 N1 Mg1 -121.9(2) . . . . ?
C5 Si1 N1 Mg1 -2.3(3) . . . . ?
C6 Si1 N1 Mg1 117.1(2) . . . . ?
C8 Si2 N1 Si1 164.2(2) . . . . ?
C10 Si2 N1 Si1 -76.2(3) . . . . ?
C9 Si2 N1 Si1 44.5(3) . . . . ?
Mg1 Si2 N1 Si1 -174.8(3) . . . . ?
C8 Si2 N1 Mg1 -20.9(3) . . . . ?
C10 Si2 N1 Mg1 98.6(2) . . . . ?
C9 Si2 N1 Mg1 -140.6(2) . . . . ?
N2 Mg1 N1 Si1 124.94(19) . . . . ?
C1 Mg1 N1 Si1 -56.8(2) . . . . ?
Si2 Mg1 N1 Si1 175.1(3) . . . . ?
Si3 Mg1 N1 Si1 100.16(18) . . . . ?
Si4 Mg1 N1 Si1 157.16(12) . . . . ?
N2 Mg1 N1 Si2 -50.1(2) . . . . ?
C1 Mg1 N1 Si2 128.1(2) . . . . ?
Si3 Mg1 N1 Si2 -74.93(17) . . . . ?
Si4 Mg1 N1 Si2 -17.9(3) . . . . ?
Si1 Mg1 N1 Si2 -175.1(3) . . . . ?
C11 Si3 N2 Si4 169.5(2) . . . . ?
C13 Si3 N2 Si4 51.4(3) . . . . ?
C12 Si3 N2 Si4 -70.8(3) . . . . ?
Mg1 Si3 N2 Si4 174.3(4) . . . . ?
C11 Si3 N2 Mg1 -4.8(3) . . . . ?
C13 Si3 N2 Mg1 -122.9(2) . . . . ?
C12 Si3 N2 Mg1 114.9(2) . . . . ?
C16 Si4 N2 Si3 171.7(2) . . . . ?
C14 Si4 N2 Si3 51.5(3) . . . . ?
C15 Si4 N2 Si3 -68.8(3) . . . . ?
Mg1 Si4 N2 Si3 -174.2(4) . . . . ?
C16 Si4 N2 Mg1 -14.1(3) . . . . ?
C14 Si4 N2 Mg1 -134.3(3) . . . . ?
C15 Si4 N2 Mg1 105.5(2) . . . . ?
N1 Mg1 N2 Si3 -58.9(2) . . . . ?
C1 Mg1 N2 Si3 122.8(2) . . . . ?
Si2 Mg1 N2 Si3 -80.95(18) . . . . ?
Si4 Mg1 N2 Si3 174.6(3) . . . . ?
Si1 Mg1 N2 Si3 -27.2(3) . . . . ?
N1 Mg1 N2 Si4 126.54(19) . . . . ?
C1 Mg1 N2 Si4 -51.8(3) . . . . ?
Si2 Mg1 N2 Si4 104.46(17) . . . . ?
Si3 Mg1 N2 Si4 -174.6(3) . . . . ?
Si1 Mg1 N2 Si4 158.19(12) . . . . ?
N6 Na1 N3 C17 -133.9(4) . . . . ?
N5 Na1 N3 C17 -63.8(4) . . . . ?
N4 Na1 N3 C17 136.4(4) . . . . ?
C1 Na1 N3 C17 49.4(4) . . . . ?
N6 Na1 N3 C18 -8.5(5) . . . . ?
N5 Na1 N3 C18 61.5(4) . . . . ?
N4 Na1 N3 C18 -98.3(4) . . . . ?
C1 Na1 N3 C18 174.8(4) . . . . ?
N6 Na1 N3 C19 114.7(4) . . . . ?
N5 Na1 N3 C19 -175.3(3) . . . . ?
N4 Na1 N3 C19 24.9(3) . . . . ?
C1 Na1 N3 C19 -62.0(3) . . . . ?
N3 Na1 N4 C22 -115.4(3) . . . . ?
N6 Na1 N4 C22 91.7(3) . . . . ?
N5 Na1 N4 C22 170.7(3) . . . . ?
C1 Na1 N4 C22 -12.2(3) . . . . ?
N3 Na1 N4 C20 2.7(3) . . . . ?
N6 Na1 N4 C20 -150.3(3) . . . . ?
N5 Na1 N4 C20 -71.3(5) . . . . ?
C1 Na1 N4 C20 105.9(3) . . . . ?
N3 Na1 N4 C21 122.6(3) . . . . ?
N6 Na1 N4 C21 -30.3(3) . . . . ?
N5 Na1 N4 C21 48.7(5) . . . . ?
C1 Na1 N4 C21 -134.2(3) . . . . ?
N3 Na1 N5 C23 -60.0(3) . . . . ?
N6 Na1 N5 C23 94.3(3) . . . . ?
N4 Na1 N5 C23 9.7(5) . . . . ?
C1 Na1 N5 C23 -167.3(3) . . . . ?
N3 Na1 N5 C24 62.8(3) . . . . ?
N6 Na1 N5 C24 -142.9(3) . . . . ?
N4 Na1 N5 C24 132.5(4) . . . . ?
C1 Na1 N5 C24 -44.5(3) . . . . ?
N3 Na1 N5 C25 -177.9(3) . . . . ?
N6 Na1 N5 C25 -23.6(3) . . . . ?
N4 Na1 N5 C25 -108.2(4) . . . . ?
C1 Na1 N5 C25 74.8(3) . . . . ?
N3 Na1 N6 C28 -172.0(3) . . . . ?
N5 Na1 N6 C28 112.2(3) . . . . ?
N4 Na1 N6 C28 -89.2(3) . . . . ?
C1 Na1 N6 C28 4.7(3) . . . . ?
N3 Na1 N6 C27 -52.5(5) . . . . ?
N5 Na1 N6 C27 -128.4(4) . . . . ?
N4 Na1 N6 C27 30.3(4) . . . . ?
C1 Na1 N6 C27 124.2(4) . . . . ?
N3 Na1 N6 C26 71.7(4) . . . . ?
N5 Na1 N6 C26 -4.2(3) . . . . ?
N4 Na1 N6 C26 154.5(3) . . . . ?
C1 Na1 N6 C26 -111.6(3) . . . . ?
C35 Si5 N7 Si6 50.8(3) . . . . ?
C34 Si5 N7 Si6 169.9(2) . . . . ?
C33 Si5 N7 Si6 -70.3(3) . . . . ?
Mg2 Si5 N7 Si6 176.7(4) . . . . ?
C35 Si5 N7 Mg2 -125.9(3) . . . . ?
C34 Si5 N7 Mg2 -6.8(3) . . . . ?
C33 Si5 N7 Mg2 113.1(3) . . . . ?
C36 Si6 N7 Si5 167.4(2) . . . . ?
C38 Si6 N7 Si5 48.3(3) . . . . ?
C37 Si6 N7 Si5 -71.9(3) . . . . ?
Mg2 Si6 N7 Si5 -176.6(4) . . . . ?
C36 Si6 N7 Mg2 -16.0(3) . . . . ?
C38 Si6 N7 Mg2 -135.1(2) . . . . ?
C37 Si6 N7 Mg2 104.7(3) . . . . ?
N8 Mg2 N7 Si5 -57.3(2) . . . . ?
C29 Mg2 N7 Si5 124.4(2) . . . . ?
Si7 Mg2 N7 Si5 -78.21(18) . . . . ?
Si8 Mg2 N7 Si5 -25.8(3) . . . . ?
Si6 Mg2 N7 Si5 176.8(3) . . . . ?
N8 Mg2 N7 Si6 125.84(19) . . . . ?
C29 Mg2 N7 Si6 -52.5(3) . . . . ?
Si5 Mg2 N7 Si6 -176.8(3) . . . . ?
Si7 Mg2 N7 Si6 104.97(18) . . . . ?
Si8 Mg2 N7 Si6 157.42(12) . . . . ?
C40 Si7 N8 Si8 166.9(2) . . . . ?
C39 Si7 N8 Si8 47.8(3) . . . . ?
C41 Si7 N8 Si8 -73.3(3) . . . . ?
Mg2 Si7 N8 Si8 -178.0(4) . . . . ?
C40 Si7 N8 Mg2 -15.1(3) . . . . ?
C39 Si7 N8 Mg2 -134.3(2) . . . . ?
C41 Si7 N8 Mg2 104.7(2) . . . . ?
C44 Si8 N8 Si7 166.3(3) . . . . ?
C43 Si8 N8 Si7 47.3(3) . . . . ?
C42 Si8 N8 Si7 -73.7(3) . . . . ?
Mg2 Si8 N8 Si7 178.0(4) . . . . ?
C44 Si8 N8 Mg2 -11.6(3) . . . . ?
C43 Si8 N8 Mg2 -130.7(2) . . . . ?
C42 Si8 N8 Mg2 108.4(3) . . . . ?
N7 Mg2 N8 Si7 -48.3(3) . . . . ?
C29 Mg2 N8 Si7 130.0(2) . . . . ?
Si5 Mg2 N8 Si7 -72.84(19) . . . . ?
Si8 Mg2 N8 Si7 -178.0(4) . . . . ?
Si6 Mg2 N8 Si7 -16.4(3) . . . . ?
N7 Mg2 N8 Si8 129.77(19) . . . . ?
C29 Mg2 N8 Si8 -52.0(3) . . . . ?
Si5 Mg2 N8 Si8 105.19(18) . . . . ?
Si7 Mg2 N8 Si8 178.0(4) . . . . ?
Si6 Mg2 N8 Si8 161.61(12) . . . . ?
N12 Na2 N9 C45 102.1(3) . . . . ?
N10 Na2 N9 C45 -106.7(3) . . . . ?
N11 Na2 N9 C45 179.4(3) . . . . ?
C29 Na2 N9 C45 -1.0(3) . . . . ?
N12 Na2 N9 C47 -139.6(3) . . . . ?
N10 Na2 N9 C47 11.5(3) . . . . ?
N11 Na2 N9 C47 -62.3(4) . . . . ?
C29 Na2 N9 C47 117.2(3) . . . . ?
N12 Na2 N9 C46 -20.2(3) . . . . ?
N10 Na2 N9 C46 130.9(3) . . . . ?
N11 Na2 N9 C46 57.0(5) . . . . ?
C29 Na2 N9 C46 -123.4(3) . . . . ?
N12 Na2 N10 C48 105.0(4) . . . . ?
N11 Na2 N10 C48 175.2(3) . . . . ?
N9 Na2 N10 C48 17.8(3) . . . . ?
C29 Na2 N10 C48 -69.7(3) . . . . ?
N12 Na2 N10 C50 -14.3(5) . . . . ?
N11 Na2 N10 C50 55.9(3) . . . . ?
N9 Na2 N10 C50 -101.5(3) . . . . ?
C29 Na2 N10 C50 171.0(3) . . . . ?
N12 Na2 N10 C49 -136.7(3) . . . . ?
N11 Na2 N10 C49 -66.4(3) . . . . ?
N9 Na2 N10 C49 136.1(3) . . . . ?
C29 Na2 N10 C49 48.6(3) . . . . ?
N12 Na2 N11 C51 93.9(9) . . . . ?
N10 Na2 N11 C51 -58.5(9) . . . . ?
N9 Na2 N11 C51 10.4(10) . . . . ?
C29 Na2 N11 C51 -169.1(9) . . . . ?
N12 Na2 N11 C52A -115.4(8) . . . . ?
N10 Na2 N11 C52A 92.1(8) . . . . ?
N9 Na2 N11 C52A 161.0(8) . . . . ?
C29 Na2 N11 C52A -18.5(8) . . . . ?
N12 Na2 N11 C52 -139.0(7) . . . . ?
N10 Na2 N11 C52 68.6(7) . . . . ?
N9 Na2 N11 C52 137.5(8) . . . . ?
C29 Na2 N11 C52 -42.0(7) . . . . ?
N12 Na2 N11 C51A 126.3(6) . . . . ?
N10 Na2 N11 C51A -26.1(6) . . . . ?
N9 Na2 N11 C51A 42.8(7) . . . . ?
C29 Na2 N11 C51A -136.7(6) . . . . ?
N12 Na2 N11 C53A 12.5(5) . . . . ?
N10 Na2 N11 C53A -140.0(5) . . . . ?
N9 Na2 N11 C53A -71.1(6) . . . . ?
C29 Na2 N11 C53A 109.4(5) . . . . ?
N12 Na2 N11 C53 -31.1(5) . . . . ?
N10 Na2 N11 C53 176.5(5) . . . . ?
N9 Na2 N11 C53 -114.6(5) . . . . ?
C29 Na2 N11 C53 65.8(5) . . . . ?
N10 Na2 N12 C56 -164.3(9) . . . . ?
N11 Na2 N12 C56 119.2(9) . . . . ?
N9 Na2 N12 C56 -84.5(9) . . . . ?
C29 Na2 N12 C56 10.5(9) . . . . ?
N10 Na2 N12 C56A -148.0(8) . . . . ?
N11 Na2 N12 C56A 135.5(8) . . . . ?
N9 Na2 N12 C56A -68.2(8) . . . . ?
C29 Na2 N12 C56A 26.8(8) . . . . ?
N10 Na2 N12 C55A -27.4(11) . . . . ?
N11 Na2 N12 C55A -103.9(11) . . . . ?
N9 Na2 N12 C55A 52.4(11) . . . . ?
C29 Na2 N12 C55A 147.4(11) . . . . ?
N10 Na2 N12 C55 -42.6(11) . . . . ?
N11 Na2 N12 C55 -119.1(11) . . . . ?
N9 Na2 N12 C55 37.1(11) . . . . ?
C29 Na2 N12 C55 132.1(11) . . . . ?
N10 Na2 N12 C54A 95.9(6) . . . . ?
N11 Na2 N12 C54A 19.4(5) . . . . ?
N9 Na2 N12 C54A 175.7(5) . . . . ?
C29 Na2 N12 C54A -89.3(5) . . . . ?
N10 Na2 N12 C54 75.9(7) . . . . ?
N11 Na2 N12 C54 -0.6(7) . . . . ?
N9 Na2 N12 C54 155.7(7) . . . . ?
C29 Na2 N12 C54 -109.3(7) . . . . ?
N2 Mg1 C1 C2 -30.0(4) . . . . ?
N1 Mg1 C1 C2 151.6(3) . . . . ?
Si2 Mg1 C1 C2 -177.1(2) . . . . ?
Si3 Mg1 C1 C2 0.9(4) . . . . ?
Si4 Mg1 C1 C2 -51.8(3) . . . . ?
Si1 Mg1 C1 C2 128.5(3) . . . . ?
N2 Mg1 C1 Na1 131.9(3) . . . . ?
N1 Mg1 C1 Na1 -46.5(4) . . . . ?
Si2 Mg1 C1 Na1 -15.1(5) . . . . ?
Si3 Mg1 C1 Na1 162.8(3) . . . . ?
Si4 Mg1 C1 Na1 110.1(3) . . . . ?
Si1 Mg1 C1 Na1 -69.5(4) . . . . ?
N3 Na1 C1 C2 -115.0(3) . . . . ?
N6 Na1 C1 C2 66.5(3) . . . . ?
N5 Na1 C1 C2 -10.4(3) . . . . ?
N4 Na1 C1 C2 170.7(3) . . . . ?
N3 Na1 C1 Mg1 81.7(4) . . . . ?
N6 Na1 C1 Mg1 -96.8(4) . . . . ?
N5 Na1 C1 Mg1 -173.7(3) . . . . ?
N4 Na1 C1 Mg1 7.4(4) . . . . ?
Mg1 C1 C2 C3 -57.4(4) . . . . ?
Na1 C1 C2 C3 132.2(3) . . . . ?
C1 C2 C3 C4 175.9(4) . . . . ?
C17 N3 C19 C20 -169.4(4) . . . . ?
C18 N3 C19 C20 72.5(5) . . . . ?
Na1 N3 C19 C20 -54.8(5) . . . . ?
C22 N4 C20 C19 84.5(5) . . . . ?
C21 N4 C20 C19 -156.9(5) . . . . ?
Na1 N4 C20 C19 -32.7(5) . . . . ?
N3 C19 C20 N4 66.0(6) . . . . ?
C23 N5 C25 C26 -64.1(5) . . . . ?
C24 N5 C25 C26 177.8(4) . . . . ?
Na1 N5 C25 C26 51.1(4) . . . . ?
C28 N6 C26 C25 -77.9(5) . . . . ?
C27 N6 C26 C25 163.6(4) . . . . ?
Na1 N6 C26 C25 33.2(5) . . . . ?
N5 C25 C26 N6 -61.8(6) . . . . ?
N8 Mg2 C29 C30 145.7(3) . . . . ?
N7 Mg2 C29 C30 -35.9(4) . . . . ?
Si5 Mg2 C29 C30 -5.6(4) . . . . ?
Si7 Mg2 C29 C30 176.1(3) . . . . ?
Si8 Mg2 C29 C30 123.8(3) . . . . ?
Si6 Mg2 C29 C30 -57.4(4) . . . . ?
N8 Mg2 C29 Na2 -54.1(4) . . . . ?
N7 Mg2 C29 Na2 124.2(3) . . . . ?
Si5 Mg2 C29 Na2 154.5(3) . . . . ?
Si7 Mg2 C29 Na2 -23.8(5) . . . . ?
Si8 Mg2 C29 Na2 -76.0(4) . . . . ?
Si6 Mg2 C29 Na2 102.7(4) . . . . ?
N12 Na2 C29 C30 58.8(3) . . . . ?
N10 Na2 C29 C30 -123.7(3) . . . . ?
N11 Na2 C29 C30 -17.5(3) . . . . ?
N9 Na2 C29 C30 162.7(3) . . . . ?
N12 Na2 C29 Mg2 -102.5(4) . . . . ?
N10 Na2 C29 Mg2 75.0(4) . . . . ?
N11 Na2 C29 Mg2 -178.8(3) . . . . ?
N9 Na2 C29 Mg2 1.4(4) . . . . ?
Mg2 C29 C30 C31 -63.3(5) . . . . ?
Na2 C29 C30 C31 128.2(4) . . . . ?
C29 C30 C31 C32 176.8(5) . . . . ?
C45 N9 C47 C48 76.5(5) . . . . ?
C46 N9 C47 C48 -164.7(4) . . . . ?
Na2 N9 C47 C48 -40.5(4) . . . . ?
C50 N10 C48 C47 73.9(5) . . . . ?
C49 N10 C48 C47 -165.2(4) . . . . ?
Na2 N10 C48 C47 -48.1(5) . . . . ?
N9 C47 C48 N10 66.0(6) . . . . ?
C51 N11 C53 C54 -63.3(13) . . . . ?
C52A N11 C53 C54 173.0(12) . . . . ?
C52 N11 C53 C54 174.0(13) . . . . ?
C51A N11 C53 C54 -87.3(13) . . . . ?
C53A N11 C53 C54 -41.4(7) . . . . ?
Na2 N11 C53 C54 61.2(8) . . . . ?
C56 N12 C54 C53 -81.6(16) . . . . ?
C56A N12 C54 C53 -95.3(17) . . . . ?
C55A N12 C54 C53 145.3(15) . . . . ?
C55 N12 C54 C53 162.9(13) . . . . ?
C54A N12 C54 C53 -54(3) . . . . ?
Na2 N12 C54 C53 34.0(13) . . . . ?
N11 C53 C54 N12 -70.0(14) . . . . ?
C51 N11 C53A C54A -156.5(12) . . . . ?
C52A N11 C53A C54A 82.2(13) . . . . ?
C52 N11 C53A C54A 96.6(16) . . . . ?
C51A N11 C53A C54A -165.6(10) . . . . ?
C53 N11 C53A C54A 43.8(8) . . . . ?
Na2 N11 C53A C54A -43.8(9) . . . . ?
C56 N12 C54A C53A -158.3(15) . . . . ?
C56A N12 C54A C53A -168.4(14) . . . . ?
C55A N12 C54A C53A 68.3(17) . . . . ?
C55 N12 C54A C53A 88.7(16) . . . . ?
C54 N12 C54A C53A 48(2) . . . . ?
Na2 N12 C54A C53A -50.9(12) . . . . ?
N11 C53A C54A N12 68.3(15) . . . . ?

_diffrn_measured_fraction_theta_max 0.873
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.365
_refine_diff_density_min         -0.444
_refine_diff_density_rms         0.059
_database_code_depnum_ccdc_archive 'CCDC 993043'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_shelxl2

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H70 Mg N4 Na2 Si4'
_chemical_formula_weight         621.51

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mg Mg 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 21/n'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.2182(2)
_cell_length_b                   22.7925(6)
_cell_length_c                   19.7071(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.215(2)
_cell_angle_gamma                90.00
_cell_volume                     4134.06(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    8367
_cell_measurement_theta_min      2.9787
_cell_measurement_theta_max      30.1117

_exptl_crystal_description       Plates
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    0.999
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1376
_exptl_absorpt_coefficient_mu    0.199
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.89922
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;


_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'omega scans'
_diffrn_measurement_method       'Oxford Diffraction Xcalibur E'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            25085
_diffrn_reflns_av_R_equivalents  0.0438
_diffrn_reflns_av_sigmaI/netI    0.0677
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.98
_diffrn_reflns_theta_max         27.50
_reflns_number_total             9466
_reflns_number_gt                6276
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0525P)²+0.6218P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9466
_refine_ls_number_parameters     419
_refine_ls_number_restraints     100
_refine_ls_R_factor_all          0.0919
_refine_ls_R_factor_gt           0.0501
_refine_ls_wR_factor_ref         0.1223
_refine_ls_wR_factor_gt          0.1064
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_restrained_S_all      1.013
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Mg1 Mg 1.01066(7) -0.09995(3) 0.79536(3) 0.02098(16) Uani 1 1 d . . .
Na1 Na 0.71002(9) 0.21011(3) 0.69368(4) 0.0264(2) Uani 1 1 d . . .
Na2 Na 0.81627(10) 0.08612(4) 0.71357(4) 0.0299(2) Uani 1 1 d . A .
Si1 Si 0.69639(7) 0.14225(3) 0.55177(3) 0.03126(16) Uani 1 1 d . A .
Si2 Si 1.00447(7) 0.15116(3) 0.60513(3) 0.03248(16) Uani 1 1 d . . .
Si3 Si 0.55920(7) 0.11310(3) 0.81427(3) 0.02775(15) Uani 1 1 d . . .
Si4 Si 0.82458(7) 0.18443(3) 0.84868(3) 0.02751(15) Uani 1 1 d . A .
N1 N 1.2007(2) -0.12442(8) 0.73775(10) 0.0324(4) Uani 1 1 d . . .
N2 N 1.1817(2) -0.07461(8) 0.87321(9) 0.0337(5) Uani 1 1 d . . .
N3 N 0.70875(18) 0.14970(7) 0.79277(8) 0.0232(4) Uani 1 1 d . A .
N4 N 0.82421(18) 0.14803(8) 0.61628(8) 0.0241(4) Uani 1 1 d . A .
C1 C 0.6003(3) 0.32147(10) 0.67614(12) 0.0296(5) Uani 1 1 d D . .
C2 C 0.6809(5) 0.32468(18) 0.6087(2) 0.0309(11) Uani 0.587(5) 1 d PD A 1
H2A H 0.7500 0.2915 0.6074 0.037 Uiso 0.587(5) 1 calc PR A 1
H2B H 0.6090 0.3202 0.5699 0.037 Uiso 0.587(5) 1 calc PR A 1
C3 C 0.7631(5) 0.3814(2) 0.6007(2) 0.0398(12) Uani 0.587(5) 1 d PD A 1
H3A H 0.8347 0.3861 0.6397 0.048 Uiso 0.587(5) 1 calc PR A 1
H3B H 0.6941 0.4146 0.6015 0.048 Uiso 0.587(5) 1 calc PR A 1
C4 C 0.8431(13) 0.3839(7) 0.5343(6) 0.049(3) Uani 0.587(5) 1 d PD A 1
H4A H 0.9201 0.3543 0.5356 0.073 Uiso 0.587(5) 1 calc PR A 1
H4B H 0.8859 0.4229 0.5294 0.073 Uiso 0.587(5) 1 calc PR A 1
H4C H 0.7742 0.3762 0.4957 0.073 Uiso 0.587(5) 1 calc PR A 1
C5 C 0.9042(3) -0.02482(10) 0.74910(12) 0.0307(5) Uani 1 1 d DU . .
C6 C 0.8340(5) -0.03506(19) 0.6786(2) 0.0347(11) Uani 0.587(5) 1 d PDU A 1
H6A H 0.9102 -0.0404 0.6457 0.042 Uiso 0.587(5) 1 calc PR A 1
H6B H 0.7749 -0.0005 0.6644 0.042 Uiso 0.587(5) 1 calc PR A 1
C7 C 0.7376(6) -0.0896(2) 0.6790(3) 0.0467(14) Uani 0.587(5) 1 d PDU A 1
H7A H 0.7998 -0.1249 0.6845 0.056 Uiso 0.587(5) 1 calc PR A 1
H7B H 0.6758 -0.0876 0.7184 0.056 Uiso 0.587(5) 1 calc PR A 1
C8 C 0.6413(16) -0.0956(7) 0.6144(8) 0.069(3) Uani 0.587(5) 1 d PDU A 1
H8A H 0.5718 -0.0630 0.6113 0.103 Uiso 0.587(5) 1 calc PR A 1
H8B H 0.5883 -0.1328 0.6152 0.103 Uiso 0.587(5) 1 calc PR A 1
H8C H 0.7014 -0.0948 0.5750 0.103 Uiso 0.587(5) 1 calc PR A 1
C9 C 1.3147(3) -0.07143(13) 0.83448(14) 0.0509(8) Uani 1 1 d . . .
H9A H 1.4011 -0.0709 0.8667 0.061 Uiso 1 1 calc R . .
H9B H 1.3140 -0.0344 0.8082 0.061 Uiso 1 1 calc R . .
C10 C 1.3261(3) -0.12200(14) 0.78696(14) 0.0521(8) Uani 1 1 d . . .
H10A H 1.4163 -0.1183 0.7623 0.063 Uiso 1 1 calc R . .
H10B H 1.3318 -0.1590 0.8133 0.063 Uiso 1 1 calc R . .
C11 C 1.2219(3) -0.08399(12) 0.68078(12) 0.0452(7) Uani 1 1 d . . .
H11A H 1.2342 -0.0439 0.6982 0.068 Uiso 1 1 calc R . .
H11B H 1.1369 -0.0856 0.6487 0.068 Uiso 1 1 calc R . .
H11C H 1.3088 -0.0956 0.6576 0.068 Uiso 1 1 calc R . .
C12 C 1.1834(3) -0.18451(11) 0.71065(14) 0.0513(7) Uani 1 1 d . . .
H12A H 1.2716 -0.1959 0.6884 0.077 Uiso 1 1 calc R . .
H12B H 1.1000 -0.1858 0.6776 0.077 Uiso 1 1 calc R . .
H12C H 1.1672 -0.2117 0.7480 0.077 Uiso 1 1 calc R . .
C13 C 1.1566(4) -0.01746(13) 0.90468(16) 0.0677(10) Uani 1 1 d . . .
H13A H 1.2396 -0.0076 0.9359 0.102 Uiso 1 1 calc R . .
H13B H 1.0681 -0.0192 0.9299 0.102 Uiso 1 1 calc R . .
H13C H 1.1455 0.0126 0.8693 0.102 Uiso 1 1 calc R . .
C14 C 1.1999(3) -0.11973(13) 0.92636(13) 0.0503(7) Uani 1 1 d . . .
H14A H 1.2104 -0.1583 0.9052 0.075 Uiso 1 1 calc R . .
H14B H 1.1145 -0.1199 0.9538 0.075 Uiso 1 1 calc R . .
H14C H 1.2869 -0.1111 0.9555 0.075 Uiso 1 1 calc R . .
C15 C 0.5141(3) 0.16732(12) 0.57884(13) 0.0445(7) Uani 1 1 d . . .
H15A H 0.4922 0.1476 0.6212 0.067 Uiso 1 1 calc R A .
H15B H 0.4393 0.1576 0.5434 0.067 Uiso 1 1 calc R . .
H15C H 0.5160 0.2099 0.5860 0.067 Uiso 1 1 calc R . .
C16 C 0.7269(3) 0.19009(13) 0.47578(12) 0.0539(8) Uani 1 1 d . . .
H16A H 0.7303 0.2313 0.4899 0.081 Uiso 1 1 calc R A .
H16B H 0.6471 0.1844 0.4414 0.081 Uiso 1 1 calc R . .
H16C H 0.8191 0.1794 0.4566 0.081 Uiso 1 1 calc R . .
C17 C 0.6700(4) 0.06505(12) 0.51971(16) 0.0637(9) Uani 1 1 d . . .
H17A H 0.7614 0.0505 0.5029 0.096 Uiso 1 1 calc R A .
H17B H 0.5945 0.0646 0.4827 0.096 Uiso 1 1 calc R . .
H17C H 0.6405 0.0399 0.5568 0.096 Uiso 1 1 calc R . .
C18 C 1.0764(3) 0.22758(12) 0.59693(15) 0.0533(8) Uani 1 1 d . A .
H18A H 1.0323 0.2458 0.5557 0.080 Uiso 1 1 calc R . .
H18B H 1.1821 0.2262 0.5941 0.080 Uiso 1 1 calc R . .
H18C H 1.0523 0.2507 0.6367 0.080 Uiso 1 1 calc R . .
C19 C 1.0690(3) 0.10936(18) 0.53042(19) 0.0947(14) Uani 1 1 d . A .
H19A H 1.0433 0.0679 0.5347 0.142 Uiso 1 1 calc R . .
H19B H 1.1748 0.1132 0.5292 0.142 Uiso 1 1 calc R . .
H19C H 1.0228 0.1252 0.4884 0.142 Uiso 1 1 calc R . .
C20 C 1.1110(3) 0.11962(13) 0.68060(16) 0.0563(8) Uani 1 1 d . A .
H20A H 1.0809 0.1386 0.7222 0.085 Uiso 1 1 calc R . .
H20B H 1.2149 0.1265 0.6759 0.085 Uiso 1 1 calc R . .
H20C H 1.0927 0.0773 0.6831 0.085 Uiso 1 1 calc R . .
C21 C 0.4982(3) 0.06003(11) 0.74492(12) 0.0417(6) Uani 1 1 d . A .
H21A H 0.5057 0.0788 0.7005 0.063 Uiso 1 1 calc R . .
H21B H 0.3970 0.0487 0.7506 0.063 Uiso 1 1 calc R . .
H21C H 0.5601 0.0251 0.7476 0.063 Uiso 1 1 calc R . .
C22 C 0.3997(3) 0.16160(12) 0.82859(16) 0.0530(7) Uani 1 1 d . A .
H22A H 0.4245 0.1886 0.8661 0.080 Uiso 1 1 calc R . .
H22B H 0.3165 0.1374 0.8399 0.080 Uiso 1 1 calc R . .
H22C H 0.3747 0.1841 0.7872 0.080 Uiso 1 1 calc R . .
C23 C 0.5857(3) 0.06566(11) 0.89229(12) 0.0437(7) Uani 1 1 d . A .
H23A H 0.6635 0.0373 0.8857 0.065 Uiso 1 1 calc R . .
H23B H 0.4953 0.0447 0.9000 0.065 Uiso 1 1 calc R . .
H23C H 0.6121 0.0904 0.9318 0.065 Uiso 1 1 calc R . .
C24 C 0.9306(3) 0.24254(11) 0.80421(13) 0.0424(6) Uani 1 1 d . . .
H24A H 0.9767 0.2250 0.7654 0.064 Uiso 1 1 calc R A .
H24B H 1.0056 0.2589 0.8360 0.064 Uiso 1 1 calc R . .
H24C H 0.8646 0.2739 0.7881 0.064 Uiso 1 1 calc R . .
C25 C 0.9662(3) 0.13422(12) 0.88972(12) 0.0442(7) Uani 1 1 d . . .
H25A H 0.9183 0.1027 0.9139 0.066 Uiso 1 1 calc R A .
H25B H 1.0292 0.1566 0.9220 0.066 Uiso 1 1 calc R . .
H25C H 1.0247 0.1172 0.8547 0.066 Uiso 1 1 calc R . .
C26 C 0.7380(3) 0.22419(12) 0.91966(12) 0.0446(7) Uani 1 1 d . . .
H26A H 0.6729 0.2547 0.9006 0.067 Uiso 1 1 calc R A .
H26B H 0.8138 0.2423 0.9496 0.067 Uiso 1 1 calc R . .
H26C H 0.6824 0.1963 0.9457 0.067 Uiso 1 1 calc R . .
C2A C 0.7383(7) 0.3320(3) 0.6391(3) 0.0302(15) Uani 0.413(5) 1 d PD A 2
H2A1 H 0.7873 0.2941 0.6315 0.036 Uiso 0.413(5) 1 calc PR A 2
H2A2 H 0.8056 0.3570 0.6673 0.036 Uiso 0.413(5) 1 calc PR A 2
C6A C 0.7680(8) -0.0466(3) 0.7042(3) 0.0419(17) Uani 0.413(5) 1 d PDU A 2
H6A1 H 0.7001 -0.0662 0.7341 0.050 Uiso 0.413(5) 1 calc PR A 2
H6A2 H 0.7174 -0.0119 0.6839 0.050 Uiso 0.413(5) 1 calc PR A 2
C7A C 0.8024(8) -0.0886(3) 0.6474(3) 0.0367(16) Uani 0.413(5) 1 d PDU A 2
H7A1 H 0.8574 -0.1225 0.6669 0.044 Uiso 0.413(5) 1 calc PR A 2
H7A2 H 0.8646 -0.0684 0.6153 0.044 Uiso 0.413(5) 1 calc PR A 2
C3A C 0.7018(8) 0.3619(4) 0.5710(3) 0.0430(19) Uani 0.413(5) 1 d PD A 2
H3A1 H 0.6500 0.3990 0.5795 0.052 Uiso 0.413(5) 1 calc PR A 2
H3A2 H 0.6343 0.3363 0.5436 0.052 Uiso 0.413(5) 1 calc PR A 2
C8A C 0.665(2) -0.1107(11) 0.6087(13) 0.069(3) Uani 0.413(5) 1 d PDU A 2
H8A1 H 0.6001 -0.1286 0.6407 0.103 Uiso 0.413(5) 1 calc PR A 2
H8A2 H 0.6908 -0.1400 0.5750 0.103 Uiso 0.413(5) 1 calc PR A 2
H8A3 H 0.6148 -0.0778 0.5855 0.103 Uiso 0.413(5) 1 calc PR A 2
C4A C 0.8329(19) 0.3757(11) 0.5289(9) 0.072(7) Uani 0.413(5) 1 d PD A 2
H4A1 H 0.8964 0.4039 0.5536 0.108 Uiso 0.413(5) 1 calc PR A 2
H4A2 H 0.7989 0.3926 0.4851 0.108 Uiso 0.413(5) 1 calc PR A 2
H4A3 H 0.8870 0.3395 0.5212 0.108 Uiso 0.413(5) 1 calc PR A 2
H1A H 0.533(3) 0.2878(11) 0.6684(12) 0.039(7) Uiso 1 1 d . . .
H1B H 0.647(3) 0.3136(11) 0.7165(14) 0.051(8) Uiso 1 1 d . . .
H5A H 0.850(3) -0.0080(11) 0.7811(12) 0.040(7) Uiso 1 1 d . . .
H5B H 0.974(3) 0.0018(13) 0.7405(15) 0.070(10) Uiso 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Mg1 C5 2.151(2) . ?
Mg1 C1 2.153(2) 2_646 ?
Mg1 N1 2.212(2) . ?
Mg1 N2 2.2141(19) . ?
Na1 N4 2.3700(18) . ?
Na1 N3 2.3899(18) . ?
Na1 C1 2.747(2) . ?
Na1 C2A 2.995(6) . ?
Na1 Na2 3.0094(11) . ?
Na1 Si1 3.1921(10) . ?
Na1 Si4 3.2291(10) . ?
Na1 H1A 2.44(2) . ?
Na1 H1B 2.48(3) . ?
Na2 N4 2.3850(19) . ?
Na2 N3 2.3857(19) . ?
Na2 C5 2.734(2) . ?
Na2 C6A 3.061(7) . ?
Na2 Si2 3.1922(11) . ?
Na2 Si3 3.2341(11) . ?
Na2 Si4 3.4776(10) . ?
Na2 H5A 2.53(2) . ?
Na2 H5B 2.45(3) . ?
Si1 N4 1.6893(18) . ?
Si1 C15 1.880(3) . ?
Si1 C17 1.881(3) . ?
Si1 C16 1.886(3) . ?
Si2 N4 1.6898(18) . ?
Si2 C18 1.874(3) . ?
Si2 C19 1.878(3) . ?
Si2 C20 1.879(3) . ?
Si3 N3 1.6856(18) . ?
Si3 C22 1.873(3) . ?
Si3 C23 1.884(2) . ?
Si3 C21 1.887(2) . ?
Si4 N3 1.6879(17) . ?
Si4 C26 1.881(2) . ?
Si4 C25 1.884(2) . ?
Si4 C24 1.891(2) . ?
N1 C10 1.468(3) . ?
N1 C11 1.474(3) . ?
N1 C12 1.475(3) . ?
N2 C13 1.466(3) . ?
N2 C14 1.471(3) . ?
N2 C9 1.482(3) . ?
C1 C2A 1.521(6) . ?
C1 C2 1.560(4) . ?
C1 Mg1 2.153(2) 2_656 ?
C1 H1A 1.00(2) . ?
C1 H1B 0.90(3) . ?
C2 C3 1.512(6) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.538(8) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.517(4) . ?
C5 C6A 1.575(6) . ?
C5 H5A 0.91(3) . ?
C5 H5B 0.91(3) . ?
C6 C7 1.529(6) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.516(8) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.492(4) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
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 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 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C2A C3A 1.527(7) . ?
C2A H2A1 0.9900 . ?
C2A H2A2 0.9900 . ?
C6A C7A 1.520(7) . ?
C6A H6A1 0.9900 . ?
C6A H6A2 0.9900 . ?
C7A C8A 1.530(9) . ?
C7A H7A1 0.9900 . ?
C7A H7A2 0.9900 . ?
C3A C4A 1.536(9) . ?
C3A H3A1 0.9900 . ?
C3A H3A2 0.9900 . ?
C8A H8A1 0.9800 . ?
C8A H8A2 0.9800 . ?
C8A H8A3 0.9800 . ?
C4A H4A1 0.9800 . ?
C4A H4A2 0.9800 . ?
C4A H4A3 0.9800 . ?

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
C5 Mg1 C1 124.11(11) . 2_646 ?
C5 Mg1 N1 109.81(9) . . ?
C1 Mg1 N1 109.01(9) 2_646 . ?
C5 Mg1 N2 112.10(9) . . ?
C1 Mg1 N2 111.50(9) 2_646 . ?
N1 Mg1 N2 82.40(8) . . ?
N4 Na1 N3 101.81(6) . . ?
N4 Na1 C1 130.12(7) . . ?
N3 Na1 C1 128.06(7) . . ?
N4 Na1 C2A 105.77(12) . . ?
N3 Na1 C2A 146.32(14) . . ?
C1 Na1 C2A 30.33(11) . . ?
N4 Na1 Na2 50.96(5) . . ?
N3 Na1 Na2 50.88(5) . . ?
C1 Na1 Na2 177.37(7) . . ?
C2A Na1 Na2 152.05(11) . . ?
N4 Na1 Si1 31.12(4) . . ?
N3 Na1 Si1 115.78(5) . . ?
C1 Na1 Si1 109.96(6) . . ?
C2A Na1 Si1 97.75(13) . . ?
Na2 Na1 Si1 69.86(3) . . ?
N4 Na1 Si4 111.54(5) . . ?
N3 Na1 Si4 30.57(4) . . ?
C1 Na1 Si4 112.65(6) . . ?
C2A Na1 Si4 118.50(14) . . ?
Na2 Na1 Si4 67.65(3) . . ?
Si1 Na1 Si4 137.36(3) . . ?
N4 Na1 H1A 128.2(5) . . ?
N3 Na1 H1A 123.4(6) . . ?
C1 Na1 H1A 21.1(6) . . ?
C2A Na1 H1A 47.6(6) . . ?
Na2 Na1 H1A 156.4(6) . . ?
Si1 Na1 H1A 100.4(6) . . ?
Si4 Na1 H1A 120.3(5) . . ?
N4 Na1 H1B 143.4(6) . . ?
N3 Na1 H1B 112.9(6) . . ?
C1 Na1 H1B 18.9(6) . . ?
C2A Na1 H1B 37.6(6) . . ?
Na2 Na1 H1B 161.6(6) . . ?
Si1 Na1 H1B 128.5(6) . . ?
Si4 Na1 H1B 93.9(6) . . ?
H1A Na1 H1B 35.4(7) . . ?
N4 Na2 N3 101.49(6) . . ?
N4 Na2 C5 136.96(8) . . ?
N3 Na2 C5 121.48(7) . . ?
N4 Na2 Na1 50.52(5) . . ?
N3 Na2 Na1 51.00(4) . . ?
C5 Na2 Na1 172.46(6) . . ?
N4 Na2 C6A 123.15(14) . . ?
N3 Na2 C6A 125.13(16) . . ?
C5 Na2 C6A 30.88(12) . . ?
Na1 Na2 C6A 151.03(12) . . ?
N4 Na2 Si2 31.21(4) . . ?
N3 Na2 Si2 114.66(5) . . ?
C5 Na2 Si2 115.88(7) . . ?
Na1 Na2 Si2 70.23(3) . . ?
C6A Na2 Si2 120.06(15) . . ?
N4 Na2 Si3 115.94(5) . . ?
N3 Na2 Si3 30.40(4) . . ?
C5 Na2 Si3 103.62(6) . . ?
Na1 Na2 Si3 69.94(3) . . ?
C6A Na2 Si3 96.66(15) . . ?
Si2 Na2 Si3 140.08(3) . . ?
N4 Na2 Si4 103.53(5) . . ?
N3 Na2 Si4 25.82(4) . . ?
C5 Na2 Si4 113.97(6) . . ?
Na1 Na2 Si4 59.18(2) . . ?
C6A Na2 Si4 132.83(13) . . ?
Si2 Na2 Si4 102.94(3) . . ?
Si3 Na2 Si4 52.63(2) . . ?
N4 Na2 H5A 156.2(6) . . ?
N3 Na2 H5A 102.3(6) . . ?
C5 Na2 H5A 19.5(6) . . ?
Na1 Na2 H5A 153.2(6) . . ?
C6A Na2 H5A 37.7(5) . . ?
Si2 Na2 H5A 133.6(6) . . ?
Si3 Na2 H5A 84.9(6) . . ?
Si4 Na2 H5A 98.4(6) . . ?
N4 Na2 H5B 126.4(7) . . ?
N3 Na2 H5B 126.7(7) . . ?
C5 Na2 H5B 19.2(7) . . ?
Na1 Na2 H5B 161.7(7) . . ?
C6A Na2 H5B 47.3(7) . . ?
Si2 Na2 H5B 99.8(7) . . ?
Si3 Na2 H5B 117.6(7) . . ?
Si4 Na2 H5B 110.6(7) . . ?
H5A Na2 H5B 33.9(8) . . ?
N4 Si1 C15 111.07(10) . . ?
N4 Si1 C17 113.40(11) . . ?
C15 Si1 C17 106.20(14) . . ?
N4 Si1 C16 115.07(11) . . ?
C15 Si1 C16 103.00(13) . . ?
C17 Si1 C16 107.24(14) . . ?
N4 Si1 Na1 46.48(6) . . ?
C15 Si1 Na1 66.17(8) . . ?
C17 Si1 Na1 138.21(11) . . ?
C16 Si1 Na1 114.53(9) . . ?
N4 Si2 C18 113.93(11) . . ?
N4 Si2 C19 115.95(12) . . ?
C18 Si2 C19 105.95(16) . . ?
N4 Si2 C20 110.79(11) . . ?
C18 Si2 C20 104.62(13) . . ?
C19 Si2 C20 104.59(16) . . ?
N4 Si2 Na2 47.00(6) . . ?
C18 Si2 Na2 134.23(10) . . ?
C19 Si2 Na2 119.81(14) . . ?
C20 Si2 Na2 64.65(9) . . ?
N3 Si3 C22 113.94(11) . . ?
N3 Si3 C23 114.74(10) . . ?
C22 Si3 C23 106.41(13) . . ?
N3 Si3 C21 110.49(10) . . ?
C22 Si3 C21 106.42(13) . . ?
C23 Si3 C21 104.06(11) . . ?
N3 Si3 Na2 45.74(6) . . ?
C22 Si3 Na2 144.38(10) . . ?
C23 Si3 Na2 109.00(9) . . ?
C21 Si3 Na2 68.45(8) . . ?
N3 Si4 C26 115.60(10) . . ?
N3 Si4 C25 113.15(10) . . ?
C26 Si4 C25 106.62(12) . . ?
N3 Si4 C24 110.52(10) . . ?
C26 Si4 C24 105.01(12) . . ?
C25 Si4 C24 105.12(12) . . ?
N3 Si4 Na1 46.06(6) . . ?
C26 Si4 Na1 119.09(9) . . ?
C25 Si4 Na1 134.28(8) . . ?
C24 Si4 Na1 65.46(8) . . ?
N3 Si4 Na2 38.00(6) . . ?
C26 Si4 Na2 152.57(9) . . ?
C25 Si4 Na2 85.55(8) . . ?
C24 Si4 Na2 94.94(8) . . ?
Na1 Si4 Na2 53.17(2) . . ?
C10 N1 C11 110.3(2) . . ?
C10 N1 C12 109.8(2) . . ?
C11 N1 C12 108.7(2) . . ?
C10 N1 Mg1 105.56(15) . . ?
C11 N1 Mg1 112.10(15) . . ?
C12 N1 Mg1 110.33(15) . . ?
C13 N2 C14 109.5(2) . . ?
C13 N2 C9 109.2(2) . . ?
C14 N2 C9 109.7(2) . . ?
C13 N2 Mg1 113.69(16) . . ?
C14 N2 Mg1 111.06(15) . . ?
C9 N2 Mg1 103.51(14) . . ?
Si3 N3 Si4 124.35(10) . . ?
Si3 N3 Na2 103.86(8) . . ?
Si4 N3 Na2 116.18(9) . . ?
Si3 N3 Na1 122.14(9) . . ?
Si4 N3 Na1 103.37(8) . . ?
Na2 N3 Na1 78.12(6) . . ?
Si1 N4 Si2 123.71(10) . . ?
Si1 N4 Na1 102.40(8) . . ?
Si2 N4 Na1 122.27(9) . . ?
Si1 N4 Na2 120.48(9) . . ?
Si2 N4 Na2 101.79(8) . . ?
Na1 N4 Na2 78.52(6) . . ?
C2A C1 C2 29.8(2) . . ?
C2A C1 Mg1 114.6(3) . 2_656 ?
C2 C1 Mg1 116.1(2) . 2_656 ?
C2A C1 Na1 83.9(3) . . ?
C2 C1 Na1 87.76(19) . . ?
Mg1 C1 Na1 155.92(11) 2_656 . ?
C2A C1 H1A 125.6(14) . . ?
C2 C1 H1A 103.3(14) . . ?
Mg1 C1 H1A 112.2(14) 2_656 . ?
Na1 C1 H1A 62.0(13) . . ?
C2A C1 H1B 94.9(17) . . ?
C2 C1 H1B 122.3(17) . . ?
Mg1 C1 H1B 98.4(17) 2_656 . ?
Na1 C1 H1B 63.2(17) . . ?
H1A C1 H1B 104(2) . . ?
C3 C2 C1 113.3(4) . . ?
C3 C2 H2A 108.9 . . ?
C1 C2 H2A 108.9 . . ?
C3 C2 H2B 108.9 . . ?
C1 C2 H2B 108.9 . . ?
H2A C2 H2B 107.7 . . ?
C2 C3 C4 112.9(7) . . ?
C2 C3 H3A 109.0 . . ?
C4 C3 H3A 109.0 . . ?
C2 C3 H3B 109.0 . . ?
C4 C3 H3B 109.0 . . ?
H3A C3 H3B 107.8 . . ?
C6 C5 C6A 31.9(3) . . ?
C6 C5 Mg1 115.2(2) . . ?
C6A C5 Mg1 108.5(3) . . ?
C6 C5 Na2 78.63(19) . . ?
C6A C5 Na2 86.1(3) . . ?
Mg1 C5 Na2 165.09(11) . . ?
C6 C5 H5A 118.3(15) . . ?
C6A C5 H5A 93.9(15) . . ?
Mg1 C5 H5A 107.3(15) . . ?
Na2 C5 H5A 67.8(15) . . ?
C6 C5 H5B 101.7(18) . . ?
C6A C5 H5B 131.2(18) . . ?
Mg1 C5 H5B 107.2(18) . . ?
Na2 C5 H5B 62.6(18) . . ?
H5A C5 H5B 106(2) . . ?
C5 C6 C7 109.8(4) . . ?
C5 C6 H6A 109.7 . . ?
C7 C6 H6A 109.7 . . ?
C5 C6 H6B 109.7 . . ?
C7 C6 H6B 109.7 . . ?
H6A C6 H6B 108.2 . . ?
C8 C7 C6 112.5(7) . . ?
C8 C7 H7A 109.1 . . ?
C6 C7 H7A 109.1 . . ?
C8 C7 H7B 109.1 . . ?
C6 C7 H7B 109.1 . . ?
H7A C7 H7B 107.8 . . ?
N2 C9 C10 112.0(2) . . ?
N2 C9 H9A 109.2 . . ?
C10 C9 H9A 109.2 . . ?
N2 C9 H9B 109.2 . . ?
C10 C9 H9B 109.2 . . ?
H9A C9 H9B 107.9 . . ?
N1 C10 C9 111.3(2) . . ?
N1 C10 H10A 109.4 . . ?
C9 C10 H10A 109.4 . . ?
N1 C10 H10B 109.4 . . ?
C9 C10 H10B 109.4 . . ?
H10A C10 H10B 108.0 . . ?
N1 C11 H11A 109.5 . . ?
N1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N1 C12 H12A 109.5 . . ?
N1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N2 C13 H13A 109.5 . . ?
N2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
N2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N2 C14 H14A 109.5 . . ?
N2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si1 C16 H16A 109.5 . . ?
Si1 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si1 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si1 C17 H17A 109.5 . . ?
Si1 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si1 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si2 C18 H18A 109.5 . . ?
Si2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si2 C19 H19A 109.5 . . ?
Si2 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si2 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si2 C20 H20A 109.5 . . ?
Si2 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si2 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si3 C21 H21A 109.5 . . ?
Si3 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si3 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si3 C22 H22A 109.5 . . ?
Si3 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si3 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si3 C23 H23A 109.5 . . ?
Si3 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si3 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 . . ?
Si4 C25 H25A 109.5 . . ?
Si4 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si4 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si4 C26 H26A 109.5 . . ?
Si4 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si4 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C1 C2A C3A 110.1(5) . . ?
C1 C2A Na1 65.8(2) . . ?
C3A C2A Na1 135.2(6) . . ?
C1 C2A H2A1 109.6 . . ?
C3A C2A H2A1 109.6 . . ?
Na1 C2A H2A1 45.2 . . ?
C1 C2A H2A2 109.6 . . ?
C3A C2A H2A2 109.6 . . ?
Na1 C2A H2A2 113.5 . . ?
H2A1 C2A H2A2 108.2 . . ?
C7A C6A C5 114.8(5) . . ?
C7A C6A Na2 129.2(6) . . ?
C5 C6A Na2 63.0(2) . . ?
C7A C6A H6A1 108.6 . . ?
C5 C6A H6A1 108.6 . . ?
Na2 C6A H6A1 120.3 . . ?
C7A C6A H6A2 108.6 . . ?
C5 C6A H6A2 108.6 . . ?
Na2 C6A H6A2 45.6 . . ?
H6A1 C6A H6A2 107.5 . . ?
C6A C7A C8A 111.9(12) . . ?
C6A C7A H7A1 109.2 . . ?
C8A C7A H7A1 109.2 . . ?
C6A C7A H7A2 109.2 . . ?
C8A C7A H7A2 109.2 . . ?
H7A1 C7A H7A2 107.9 . . ?
C2A C3A C4A 115.2(9) . . ?
C2A C3A H3A1 108.5 . . ?
C4A C3A H3A1 108.5 . . ?
C2A C3A H3A2 108.5 . . ?
C4A C3A H3A2 108.5 . . ?
H3A1 C3A H3A2 107.5 . . ?
C7A C8A H8A1 109.5 . . ?
C7A C8A H8A2 109.5 . . ?
H8A1 C8A H8A2 109.5 . . ?
C7A C8A H8A3 109.5 . . ?
H8A1 C8A H8A3 109.5 . . ?
H8A2 C8A H8A3 109.5 . . ?
C3A C4A H4A1 109.5 . . ?
C3A C4A H4A2 109.5 . . ?
H4A1 C4A H4A2 109.5 . . ?
C3A C4A H4A3 109.5 . . ?
H4A1 C4A H4A3 109.5 . . ?
H4A2 C4A H4A3 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N3 Na1 Na2 N4 -177.66(8) . . . . ?
C1 Na1 Na2 N4 115.2(14) . . . . ?
C2A Na1 Na2 N4 -38.6(3) . . . . ?
Si1 Na1 Na2 N4 28.77(5) . . . . ?
Si4 Na1 Na2 N4 -147.61(6) . . . . ?
N4 Na1 Na2 N3 177.66(8) . . . . ?
C1 Na1 Na2 N3 -67.1(14) . . . . ?
C2A Na1 Na2 N3 139.1(3) . . . . ?
Si1 Na1 Na2 N3 -153.57(6) . . . . ?
Si4 Na1 Na2 N3 30.05(5) . . . . ?
N4 Na1 Na2 C5 173.3(5) . . . . ?
N3 Na1 Na2 C5 -4.4(5) . . . . ?
C1 Na1 Na2 C5 -71.5(15) . . . . ?
C2A Na1 Na2 C5 134.7(6) . . . . ?
Si1 Na1 Na2 C5 -158.0(5) . . . . ?
Si4 Na1 Na2 C5 25.7(5) . . . . ?
N4 Na1 Na2 C6A -88.5(3) . . . . ?
N3 Na1 Na2 C6A 93.8(3) . . . . ?
C1 Na1 Na2 C6A 26.7(14) . . . . ?
C2A Na1 Na2 C6A -127.1(4) . . . . ?
Si1 Na1 Na2 C6A -59.8(3) . . . . ?
Si4 Na1 Na2 C6A 123.8(3) . . . . ?
N4 Na1 Na2 Si2 28.18(6) . . . . ?
N3 Na1 Na2 Si2 -149.48(6) . . . . ?
C1 Na1 Na2 Si2 143.4(14) . . . . ?
C2A Na1 Na2 Si2 -10.4(3) . . . . ?
Si1 Na1 Na2 Si2 56.96(2) . . . . ?
Si4 Na1 Na2 Si2 -119.43(3) . . . . ?
N4 Na1 Na2 Si3 -154.70(6) . . . . ?
N3 Na1 Na2 Si3 27.64(5) . . . . ?
C1 Na1 Na2 Si3 -39.5(14) . . . . ?
C2A Na1 Na2 Si3 166.7(3) . . . . ?
Si1 Na1 Na2 Si3 -125.92(3) . . . . ?
Si4 Na1 Na2 Si3 57.69(2) . . . . ?
N4 Na1 Na2 Si4 147.61(6) . . . . ?
N3 Na1 Na2 Si4 -30.05(5) . . . . ?
C1 Na1 Na2 Si4 -97.2(14) . . . . ?
C2A Na1 Na2 Si4 109.0(3) . . . . ?
Si1 Na1 Na2 Si4 176.39(3) . . . . ?
N3 Na1 Si1 N4 -68.88(10) . . . . ?
C1 Na1 Si1 N4 136.46(10) . . . . ?
C2A Na1 Si1 N4 107.79(14) . . . . ?
Na2 Na1 Si1 N4 -46.33(9) . . . . ?
Si4 Na1 Si1 N4 -41.39(9) . . . . ?
N4 Na1 Si1 C15 164.00(13) . . . . ?
N3 Na1 Si1 C15 95.12(11) . . . . ?
C1 Na1 Si1 C15 -59.54(11) . . . . ?
C2A Na1 Si1 C15 -88.21(15) . . . . ?
Na2 Na1 Si1 C15 117.67(9) . . . . ?
Si4 Na1 Si1 C15 122.61(10) . . . . ?
N4 Na1 Si1 C17 76.08(18) . . . . ?
N3 Na1 Si1 C17 7.21(17) . . . . ?
C1 Na1 Si1 C17 -147.46(16) . . . . ?
C2A Na1 Si1 C17 -176.13(19) . . . . ?
Na2 Na1 Si1 C17 29.76(16) . . . . ?
Si4 Na1 Si1 C17 34.69(17) . . . . ?
N4 Na1 Si1 C16 -102.06(14) . . . . ?
N3 Na1 Si1 C16 -170.94(11) . . . . ?
C1 Na1 Si1 C16 34.40(12) . . . . ?
C2A Na1 Si1 C16 5.73(16) . . . . ?
Na2 Na1 Si1 C16 -148.39(11) . . . . ?
Si4 Na1 Si1 C16 -143.45(11) . . . . ?
N3 Na2 Si2 N4 -70.44(10) . . . . ?
C5 Na2 Si2 N4 140.09(10) . . . . ?
Na1 Na2 Si2 N4 -44.70(8) . . . . ?
C6A Na2 Si2 N4 105.31(15) . . . . ?
Si3 Na2 Si2 N4 -48.92(9) . . . . ?
Si4 Na2 Si2 N4 -94.83(8) . . . . ?
N4 Na2 Si2 C18 82.32(15) . . . . ?
N3 Na2 Si2 C18 11.88(15) . . . . ?
C5 Na2 Si2 C18 -137.59(14) . . . . ?
Na1 Na2 Si2 C18 37.62(13) . . . . ?
C6A Na2 Si2 C18 -172.37(18) . . . . ?
Si3 Na2 Si2 C18 33.40(15) . . . . ?
Si4 Na2 Si2 C18 -12.51(13) . . . . ?
N4 Na2 Si2 C19 -98.93(16) . . . . ?
N3 Na2 Si2 C19 -169.38(14) . . . . ?
C5 Na2 Si2 C19 41.15(15) . . . . ?
Na1 Na2 Si2 C19 -143.64(14) . . . . ?
C6A Na2 Si2 C19 6.37(19) . . . . ?
Si3 Na2 Si2 C19 -147.85(14) . . . . ?
Si4 Na2 Si2 C19 166.24(14) . . . . ?
N4 Na2 Si2 C20 168.21(14) . . . . ?
N3 Na2 Si2 C20 97.77(12) . . . . ?
C5 Na2 Si2 C20 -51.70(13) . . . . ?
Na1 Na2 Si2 C20 123.51(11) . . . . ?
C6A Na2 Si2 C20 -86.48(17) . . . . ?
Si3 Na2 Si2 C20 119.30(12) . . . . ?
Si4 Na2 Si2 C20 73.39(11) . . . . ?
N4 Na2 Si3 N3 -66.96(9) . . . . ?
C5 Na2 Si3 N3 130.45(10) . . . . ?
Na1 Na2 Si3 N3 -45.45(8) . . . . ?
C6A Na2 Si3 N3 161.04(14) . . . . ?
Si2 Na2 Si3 N3 -41.22(9) . . . . ?
Si4 Na2 Si3 N3 20.51(8) . . . . ?
N4 Na2 Si3 C22 0.24(17) . . . . ?
N3 Na2 Si3 C22 67.21(18) . . . . ?
C5 Na2 Si3 C22 -162.34(17) . . . . ?
Na1 Na2 Si3 C22 21.76(16) . . . . ?
C6A Na2 Si3 C22 -131.75(19) . . . . ?
Si2 Na2 Si3 C22 25.99(17) . . . . ?
Si4 Na2 Si3 C22 87.72(16) . . . . ?
N4 Na2 Si3 C23 -173.37(10) . . . . ?
N3 Na2 Si3 C23 -106.41(12) . . . . ?
C5 Na2 Si3 C23 24.04(10) . . . . ?
Na1 Na2 Si3 C23 -151.86(9) . . . . ?
C6A Na2 Si3 C23 54.63(14) . . . . ?
Si2 Na2 Si3 C23 -147.63(9) . . . . ?
Si4 Na2 Si3 C23 -85.90(9) . . . . ?
N4 Na2 Si3 C21 88.56(10) . . . . ?
N3 Na2 Si3 C21 155.53(12) . . . . ?
C5 Na2 Si3 C21 -74.03(10) . . . . ?
Na1 Na2 Si3 C21 110.08(8) . . . . ?
C6A Na2 Si3 C21 -43.43(14) . . . . ?
Si2 Na2 Si3 C21 114.31(9) . . . . ?
Si4 Na2 Si3 C21 176.04(8) . . . . ?
N4 Na1 Si4 N3 -76.37(10) . . . . ?
C1 Na1 Si4 N3 127.38(10) . . . . ?
C2A Na1 Si4 N3 160.48(15) . . . . ?
Na2 Na1 Si4 N3 -49.80(8) . . . . ?
Si1 Na1 Si4 N3 -54.81(9) . . . . ?
N4 Na1 Si4 C26 -175.03(11) . . . . ?
N3 Na1 Si4 C26 -98.67(13) . . . . ?
C1 Na1 Si4 C26 28.71(12) . . . . ?
C2A Na1 Si4 C26 61.81(16) . . . . ?
Na2 Na1 Si4 C26 -148.46(10) . . . . ?
Si1 Na1 Si4 C26 -153.48(10) . . . . ?
N4 Na1 Si4 C25 3.42(14) . . . . ?
N3 Na1 Si4 C25 79.79(15) . . . . ?
C1 Na1 Si4 C25 -152.83(13) . . . . ?
C2A Na1 Si4 C25 -119.73(17) . . . . ?
Na2 Na1 Si4 C25 29.99(12) . . . . ?
Si1 Na1 Si4 C25 24.98(14) . . . . ?
N4 Na1 Si4 C24 90.85(11) . . . . ?
N3 Na1 Si4 C24 167.21(13) . . . . ?
C1 Na1 Si4 C24 -65.41(11) . . . . ?
C2A Na1 Si4 C24 -32.30(15) . . . . ?
Na2 Na1 Si4 C24 117.42(10) . . . . ?
Si1 Na1 Si4 C24 112.40(10) . . . . ?
N4 Na1 Si4 Na2 -26.57(5) . . . . ?
N3 Na1 Si4 Na2 49.80(8) . . . . ?
C1 Na1 Si4 Na2 177.18(7) . . . . ?
C2A Na1 Si4 Na2 -149.72(13) . . . . ?
Si1 Na1 Si4 Na2 -5.01(4) . . . . ?
N4 Na2 Si4 N3 88.45(11) . . . . ?
C5 Na2 Si4 N3 -113.15(12) . . . . ?
Na1 Na2 Si4 N3 63.29(9) . . . . ?
C6A Na2 Si4 N3 -83.4(2) . . . . ?
Si2 Na2 Si4 N3 120.53(10) . . . . ?
Si3 Na2 Si4 N3 -24.02(9) . . . . ?
N4 Na2 Si4 C26 108.0(2) . . . . ?
N3 Na2 Si4 C26 19.5(2) . . . . ?
C5 Na2 Si4 C26 -93.6(2) . . . . ?
Na1 Na2 Si4 C26 82.8(2) . . . . ?
C6A Na2 Si4 C26 -63.9(3) . . . . ?
Si2 Na2 Si4 C26 140.08(19) . . . . ?
Si3 Na2 Si4 C26 -4.5(2) . . . . ?
N4 Na2 Si4 C25 -133.80(10) . . . . ?
N3 Na2 Si4 C25 137.75(13) . . . . ?
C5 Na2 Si4 C25 24.60(11) . . . . ?
Na1 Na2 Si4 C25 -158.97(9) . . . . ?
C6A Na2 Si4 C25 54.31(19) . . . . ?
Si2 Na2 Si4 C25 -101.72(9) . . . . ?
Si3 Na2 Si4 C25 113.73(9) . . . . ?
N4 Na2 Si4 C24 -28.98(10) . . . . ?
N3 Na2 Si4 C24 -117.43(13) . . . . ?
C5 Na2 Si4 C24 129.42(11) . . . . ?
Na1 Na2 Si4 C24 -54.14(9) . . . . ?
C6A Na2 Si4 C24 159.13(19) . . . . ?
Si2 Na2 Si4 C24 3.10(9) . . . . ?
Si3 Na2 Si4 C24 -141.45(9) . . . . ?
N4 Na2 Si4 Na1 25.16(5) . . . . ?
N3 Na2 Si4 Na1 -63.29(9) . . . . ?
C5 Na2 Si4 Na1 -176.44(8) . . . . ?
C6A Na2 Si4 Na1 -146.73(18) . . . . ?
Si2 Na2 Si4 Na1 57.24(3) . . . . ?
Si3 Na2 Si4 Na1 -87.31(3) . . . . ?
C5 Mg1 N1 C10 122.20(17) . . . . ?
C1 Mg1 N1 C10 -98.82(18) 2_646 . . . ?
N2 Mg1 N1 C10 11.38(17) . . . . ?
C5 Mg1 N1 C11 2.12(18) . . . . ?
C1 Mg1 N1 C11 141.10(17) 2_646 . . . ?
N2 Mg1 N1 C11 -108.70(17) . . . . ?
C5 Mg1 N1 C12 -119.20(17) . . . . ?
C1 Mg1 N1 C12 19.78(19) 2_646 . . . ?
N2 Mg1 N1 C12 129.97(17) . . . . ?
C5 Mg1 N2 C13 26.7(2) . . . . ?
C1 Mg1 N2 C13 -117.5(2) 2_646 . . . ?
N1 Mg1 N2 C13 135.0(2) . . . . ?
C5 Mg1 N2 C14 150.75(18) . . . . ?
C1 Mg1 N2 C14 6.6(2) 2_646 . . . ?
N1 Mg1 N2 C14 -100.89(17) . . . . ?
C5 Mg1 N2 C9 -91.66(17) . . . . ?
C1 Mg1 N2 C9 124.19(16) 2_646 . . . ?
N1 Mg1 N2 C9 16.70(15) . . . . ?
C22 Si3 N3 Si4 80.00(16) . . . . ?
C23 Si3 N3 Si4 -43.02(17) . . . . ?
C21 Si3 N3 Si4 -160.26(12) . . . . ?
Na2 Si3 N3 Si4 -135.97(15) . . . . ?
C22 Si3 N3 Na2 -144.02(12) . . . . ?
C23 Si3 N3 Na2 92.95(12) . . . . ?
C21 Si3 N3 Na2 -24.29(12) . . . . ?
C22 Si3 N3 Na1 -59.50(15) . . . . ?
C23 Si3 N3 Na1 177.48(11) . . . . ?
C21 Si3 N3 Na1 60.24(13) . . . . ?
Na2 Si3 N3 Na1 84.53(10) . . . . ?
C26 Si4 N3 Si3 -38.91(17) . . . . ?
C25 Si4 N3 Si3 84.44(15) . . . . ?
C24 Si4 N3 Si3 -157.99(13) . . . . ?
Na1 Si4 N3 Si3 -145.58(16) . . . . ?
Na2 Si4 N3 Si3 131.24(17) . . . . ?
C26 Si4 N3 Na2 -170.16(11) . . . . ?
C25 Si4 N3 Na2 -46.81(13) . . . . ?
C24 Si4 N3 Na2 70.76(13) . . . . ?
Na1 Si4 N3 Na2 83.17(9) . . . . ?
C26 Si4 N3 Na1 106.67(11) . . . . ?
C25 Si4 N3 Na1 -129.98(10) . . . . ?
C24 Si4 N3 Na1 -12.41(12) . . . . ?
Na2 Si4 N3 Na1 -83.17(9) . . . . ?
N4 Na2 N3 Si3 122.38(8) . . . . ?
C5 Na2 N3 Si3 -60.14(11) . . . . ?
Na1 Na2 N3 Si3 120.54(9) . . . . ?
C6A Na2 N3 Si3 -23.24(17) . . . . ?
Si2 Na2 N3 Si3 152.27(6) . . . . ?
Si4 Na2 N3 Si3 -140.26(14) . . . . ?
N4 Na2 N3 Si4 -97.36(10) . . . . ?
C5 Na2 N3 Si4 80.12(12) . . . . ?
Na1 Na2 N3 Si4 -99.21(10) . . . . ?
C6A Na2 N3 Si4 117.02(16) . . . . ?
Si2 Na2 N3 Si4 -67.48(10) . . . . ?
Si3 Na2 N3 Si4 140.26(14) . . . . ?
N4 Na2 N3 Na1 1.84(6) . . . . ?
C5 Na2 N3 Na1 179.33(8) . . . . ?
C6A Na2 N3 Na1 -143.77(14) . . . . ?
Si2 Na2 N3 Na1 31.73(6) . . . . ?
Si3 Na2 N3 Na1 -120.54(9) . . . . ?
Si4 Na2 N3 Na1 99.21(10) . . . . ?
N4 Na1 N3 Si3 -100.89(11) . . . . ?
C1 Na1 N3 Si3 77.90(13) . . . . ?
C2A Na1 N3 Si3 114.6(2) . . . . ?
Na2 Na1 N3 Si3 -99.03(11) . . . . ?
Si1 Na1 N3 Si3 -71.38(11) . . . . ?
Si4 Na1 N3 Si3 146.56(16) . . . . ?
N4 Na1 N3 Si4 112.56(8) . . . . ?
C1 Na1 N3 Si4 -68.66(12) . . . . ?
C2A Na1 N3 Si4 -32.0(2) . . . . ?
Na2 Na1 N3 Si4 114.41(9) . . . . ?
Si1 Na1 N3 Si4 142.07(6) . . . . ?
N4 Na1 N3 Na2 -1.86(6) . . . . ?
C1 Na1 N3 Na2 176.93(8) . . . . ?
C2A Na1 N3 Na2 -146.4(2) . . . . ?
Si1 Na1 N3 Na2 27.65(6) . . . . ?
Si4 Na1 N3 Na2 -114.41(9) . . . . ?
C15 Si1 N4 Si2 -159.16(13) . . . . ?
C17 Si1 N4 Si2 81.33(18) . . . . ?
C16 Si1 N4 Si2 -42.66(17) . . . . ?
Na1 Si1 N4 Si2 -143.49(16) . . . . ?
C15 Si1 N4 Na1 -15.68(12) . . . . ?
C17 Si1 N4 Na1 -135.19(13) . . . . ?
C16 Si1 N4 Na1 100.83(12) . . . . ?
C15 Si1 N4 Na2 68.18(13) . . . . ?
C17 Si1 N4 Na2 -51.33(16) . . . . ?
C16 Si1 N4 Na2 -175.31(12) . . . . ?
Na1 Si1 N4 Na2 83.86(10) . . . . ?
C18 Si2 N4 Si1 91.33(16) . . . . ?
C19 Si2 N4 Si1 -32.1(2) . . . . ?
C20 Si2 N4 Si1 -151.04(14) . . . . ?
Na2 Si2 N4 Si1 -139.65(16) . . . . ?
C18 Si2 N4 Na1 -45.26(16) . . . . ?
C19 Si2 N4 Na1 -168.64(17) . . . . ?
C20 Si2 N4 Na1 72.38(15) . . . . ?
Na2 Si2 N4 Na1 83.76(10) . . . . ?
C18 Si2 N4 Na2 -129.02(12) . . . . ?
C19 Si2 N4 Na2 107.59(17) . . . . ?
C20 Si2 N4 Na2 -11.39(13) . . . . ?
N3 Na1 N4 Si1 120.89(8) . . . . ?
C1 Na1 N4 Si1 -57.86(13) . . . . ?
C2A Na1 N4 Si1 -78.65(16) . . . . ?
Na2 Na1 N4 Si1 119.04(10) . . . . ?
Si4 Na1 N4 Si1 151.22(6) . . . . ?
N3 Na1 N4 Si2 -94.94(11) . . . . ?
C1 Na1 N4 Si2 86.31(14) . . . . ?
C2A Na1 N4 Si2 65.52(17) . . . . ?
Na2 Na1 N4 Si2 -96.79(11) . . . . ?
Si1 Na1 N4 Si2 144.17(16) . . . . ?
Si4 Na1 N4 Si2 -64.61(11) . . . . ?
N3 Na1 N4 Na2 1.86(6) . . . . ?
C1 Na1 N4 Na2 -176.89(9) . . . . ?
C2A Na1 N4 Na2 162.32(14) . . . . ?
Si1 Na1 N4 Na2 -119.04(10) . . . . ?
Si4 Na1 N4 Na2 32.18(6) . . . . ?
N3 Na2 N4 Si1 -99.60(10) . . . . ?
C5 Na2 N4 Si1 83.55(14) . . . . ?
Na1 Na2 N4 Si1 -97.74(11) . . . . ?
C6A Na2 N4 Si1 46.9(2) . . . . ?
Si2 Na2 N4 Si1 141.32(15) . . . . ?
Si3 Na2 N4 Si1 -71.22(11) . . . . ?
Si4 Na2 N4 Si1 -125.98(9) . . . . ?
N3 Na2 N4 Si2 119.08(8) . . . . ?
C5 Na2 N4 Si2 -57.77(14) . . . . ?
Na1 Na2 N4 Si2 120.94(9) . . . . ?
C6A Na2 N4 Si2 -94.39(18) . . . . ?
Si3 Na2 N4 Si2 147.46(6) . . . . ?
Si4 Na2 N4 Si2 92.70(7) . . . . ?
N3 Na2 N4 Na1 -1.86(6) . . . . ?
C5 Na2 N4 Na1 -178.71(10) . . . . ?
C6A Na2 N4 Na1 144.67(16) . . . . ?
Si2 Na2 N4 Na1 -120.94(9) . . . . ?
Si3 Na2 N4 Na1 26.52(6) . . . . ?
Si4 Na2 N4 Na1 -28.24(5) . . . . ?
N4 Na1 C1 C2A -42.6(3) . . . . ?
N3 Na1 C1 C2A 139.0(3) . . . . ?
Na2 Na1 C1 C2A -155.8(13) . . . . ?
Si1 Na1 C1 C2A -70.3(3) . . . . ?
Si4 Na1 C1 C2A 108.1(3) . . . . ?
N4 Na1 C1 C2 -12.9(2) . . . . ?
N3 Na1 C1 C2 168.7(2) . . . . ?
C2A Na1 C1 C2 29.7(2) . . . . ?
Na2 Na1 C1 C2 -126.1(13) . . . . ?
Si1 Na1 C1 C2 -40.6(2) . . . . ?
Si4 Na1 C1 C2 137.8(2) . . . . ?
N4 Na1 C1 Mg1 175.4(3) . . . 2_656 ?
N3 Na1 C1 Mg1 -3.0(4) . . . 2_656 ?
C2A Na1 C1 Mg1 -142.0(5) . . . 2_656 ?
Na2 Na1 C1 Mg1 62.2(15) . . . 2_656 ?
Si1 Na1 C1 Mg1 147.7(3) . . . 2_656 ?
Si4 Na1 C1 Mg1 -33.9(3) . . . 2_656 ?
C2A C1 C2 C3 -52.2(6) . . . . ?
Mg1 C1 C2 C3 42.4(5) 2_656 . . . ?
Na1 C1 C2 C3 -133.9(4) . . . . ?
C1 C2 C3 C4 179.6(6) . . . . ?
C1 Mg1 C5 C6 -65.3(3) 2_646 . . . ?
N1 Mg1 C5 C6 66.1(3) . . . . ?
N2 Mg1 C5 C6 155.8(3) . . . . ?
C1 Mg1 C5 C6A -31.6(3) 2_646 . . . ?
N1 Mg1 C5 C6A 99.9(3) . . . . ?
N2 Mg1 C5 C6A -170.4(3) . . . . ?
C1 Mg1 C5 Na2 137.1(5) 2_646 . . . ?
N1 Mg1 C5 Na2 -91.4(5) . . . . ?
N2 Mg1 C5 Na2 -1.7(6) . . . . ?
N4 Na2 C5 C6 -45.3(3) . . . . ?
N3 Na2 C5 C6 138.3(2) . . . . ?
Na1 Na2 C5 C6 142.3(5) . . . . ?
C6A Na2 C5 C6 31.4(3) . . . . ?
Si2 Na2 C5 C6 -74.5(2) . . . . ?
Si3 Na2 C5 C6 111.4(2) . . . . ?
Si4 Na2 C5 C6 166.3(2) . . . . ?
N4 Na2 C5 C6A -76.7(3) . . . . ?
N3 Na2 C5 C6A 106.9(3) . . . . ?
Na1 Na2 C5 C6A 110.9(6) . . . . ?
Si2 Na2 C5 C6A -105.9(3) . . . . ?
Si3 Na2 C5 C6A 80.1(3) . . . . ?
Si4 Na2 C5 C6A 134.9(3) . . . . ?
N4 Na2 C5 Mg1 114.0(5) . . . . ?
N3 Na2 C5 Mg1 -62.3(5) . . . . ?
Na1 Na2 C5 Mg1 -58.3(9) . . . . ?
C6A Na2 C5 Mg1 -169.2(7) . . . . ?
Si2 Na2 C5 Mg1 84.9(5) . . . . ?
Si3 Na2 C5 Mg1 -89.2(5) . . . . ?
Si4 Na2 C5 Mg1 -34.3(5) . . . . ?
C6A C5 C6 C7 -34.3(5) . . . . ?
Mg1 C5 C6 C7 50.4(5) . . . . ?
Na2 C5 C6 C7 -135.3(4) . . . . ?
C5 C6 C7 C8 168.6(8) . . . . ?
C13 N2 C9 C10 -165.1(2) . . . . ?
C14 N2 C9 C10 74.8(3) . . . . ?
Mg1 N2 C9 C10 -43.7(2) . . . . ?
C11 N1 C10 C9 82.5(3) . . . . ?
C12 N1 C10 C9 -157.7(2) . . . . ?
Mg1 N1 C10 C9 -38.8(2) . . . . ?
N2 C9 C10 N1 59.3(3) . . . . ?
C2 C1 C2A C3A 35.5(5) . . . . ?
Mg1 C1 C2A C3A -64.4(7) 2_656 . . . ?
Na1 C1 C2A C3A 131.7(6) . . . . ?
C2 C1 C2A Na1 -96.2(6) . . . . ?
Mg1 C1 C2A Na1 163.95(19) 2_656 . . . ?
N4 Na1 C2A C1 147.5(2) . . . . ?
N3 Na1 C2A C1 -68.7(4) . . . . ?
Na2 Na1 C2A C1 177.71(14) . . . . ?
Si1 Na1 C2A C1 116.7(3) . . . . ?
Si4 Na1 C2A C1 -86.5(3) . . . . ?
N4 Na1 C2A C3A 52.9(5) . . . . ?
N3 Na1 C2A C3A -163.3(4) . . . . ?
C1 Na1 C2A C3A -94.6(6) . . . . ?
Na2 Na1 C2A C3A 83.1(6) . . . . ?
Si1 Na1 C2A C3A 22.1(5) . . . . ?
Si4 Na1 C2A C3A 178.9(5) . . . . ?
C6 C5 C6A C7A 48.4(6) . . . . ?
Mg1 C5 C6A C7A -59.9(7) . . . . ?
Na2 C5 C6A C7A 123.1(6) . . . . ?
C6 C5 C6A Na2 -74.7(6) . . . . ?
Mg1 C5 C6A Na2 177.10(17) . . . . ?
N4 Na2 C6A C7A 26.4(6) . . . . ?
N3 Na2 C6A C7A 165.0(5) . . . . ?
C5 Na2 C6A C7A -101.1(6) . . . . ?
Na1 Na2 C6A C7A 93.5(6) . . . . ?
Si2 Na2 C6A C7A -10.3(6) . . . . ?
Si3 Na2 C6A C7A 153.4(5) . . . . ?
Si4 Na2 C6A C7A -163.1(4) . . . . ?
N4 Na2 C6A C5 127.5(2) . . . . ?
N3 Na2 C6A C5 -93.9(3) . . . . ?
Na1 Na2 C6A C5 -165.34(14) . . . . ?
Si2 Na2 C6A C5 90.9(3) . . . . ?
Si3 Na2 C6A C5 -105.5(3) . . . . ?
Si4 Na2 C6A C5 -61.9(3) . . . . ?
C5 C6A C7A C8A 176.6(12) . . . . ?
Na2 C6A C7A C8A -109.0(13) . . . . ?
C1 C2A C3A C4A 179.2(12) . . . . ?
Na1 C2A C3A C4A -105.4(13) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.374
_refine_diff_density_min         -0.350
_refine_diff_density_rms         0.052
_database_code_depnum_ccdc_archive 'CCDC 993044'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_jf04

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H76 Mg N4 Na2 Si4'
_chemical_formula_weight         675.60

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mg Mg 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'

_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 42 21 2'


loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, z'
'-x+1/2, y+1/2, -z+1/2'
'y, x, -z'
'y+1/2, -x+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'-y, -x, -z'

_cell_length_a                   23.5623(5)
_cell_length_b                   23.5623(5)
_cell_length_c                   15.9256(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     8841.6(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    10907
_cell_measurement_theta_min      3.0122
_cell_measurement_theta_max      30.2302


_exptl_crystal_description       plates
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05

_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.015
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2992
_exptl_absorpt_coefficient_mu    0.191
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.97578
_exptl_absorpt_correction_T_max  1.00000

_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;


_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Oxford diffraction Xcalibur E'
_diffrn_measurement_method       omega-scans

_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            52309
_diffrn_reflns_av_R_equivalents  0.0709
_diffrn_reflns_av_sigmaI/netI    0.0749
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         3.02
_diffrn_reflns_theta_max         28.99
_reflns_number_total             11587
_reflns_number_gt                8277
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0469P)²+2.8989P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.13(12)
_refine_ls_number_reflns         11587
_refine_ls_number_parameters     404
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0987
_refine_ls_R_factor_gt           0.0598
_refine_ls_wR_factor_ref         0.1222
_refine_ls_wR_factor_gt          0.1073
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Mg1 Mg 0.83958(4) 0.77308(4) 0.75412(5) 0.0233(2) Uani 1 1 d . . .
Na1 Na 0.76038(5) 0.58549(4) 0.76740(7) 0.0298(3) Uani 1 1 d . . .
Na2 Na 0.76203(4) 0.96165(4) 0.72730(7) 0.0285(3) Uani 1 1 d . . .
Si1 Si 0.64016(4) 0.98619(3) 0.80985(5) 0.03029(18) Uani 1 1 d . . .
Si2 Si 0.63762(3) 1.02091(3) 0.63052(5) 0.02991(18) Uani 1 1 d . . .
Si3 Si 0.84901(3) 1.05472(3) 0.84592(5) 0.02686(17) Uani 1 1 d . . .
Si4 Si 0.87503(4) 1.02608(4) 0.66918(5) 0.0338(2) Uani 1 1 d . . .
N1 N 0.89782(9) 0.78143(10) 0.85953(14) 0.0269(5) Uani 1 1 d . . .
N2 N 0.92011(10) 0.75388(10) 0.68831(14) 0.0275(5) Uani 1 1 d . . .
N3 N 0.67247(9) 1.00901(10) 0.72149(13) 0.0252(5) Uani 1 1 d . . .
N4 N 0.82834(9) 1.03816(10) 0.74737(13) 0.0243(5) Uani 1 1 d . . .
C1 C 0.79034(13) 0.69636(13) 0.7689(2) 0.0305(6) Uani 1 1 d . . .
C2 C 0.72868(14) 0.70558(14) 0.7981(2) 0.0463(9) Uani 1 1 d . . .
H2A H 0.7068 0.7225 0.7512 0.056 Uiso 1 1 calc R . .
H2B H 0.7116 0.6682 0.8109 0.056 Uiso 1 1 calc R . .
C3 C 0.72268(17) 0.74262(18) 0.8729(2) 0.0600(11) Uani 1 1 d . . .
H3A H 0.7413 0.7794 0.8607 0.072 Uiso 1 1 calc R . .
H3B H 0.7434 0.7249 0.9201 0.072 Uiso 1 1 calc R . .
C4 C 0.66226(18) 0.7542(2) 0.9008(3) 0.0818(14) Uani 1 1 d . . .
H4A H 0.6627 0.7753 0.9538 0.123 Uiso 1 1 calc R . .
H4B H 0.6423 0.7181 0.9088 0.123 Uiso 1 1 calc R . .
H4C H 0.6427 0.7766 0.8578 0.123 Uiso 1 1 calc R . .
C5 C 0.79891(13) 0.85249(13) 0.7238(2) 0.0305(7) Uani 1 1 d . . .
C6 C 0.74323(14) 0.84339(14) 0.6762(2) 0.0420(8) Uani 1 1 d . . .
H6A H 0.7168 0.8215 0.7121 0.050 Uiso 1 1 calc R . .
H6B H 0.7256 0.8807 0.6647 0.050 Uiso 1 1 calc R . .
C7 C 0.75128(15) 0.81295(17) 0.5962(2) 0.0499(9) Uani 1 1 d . . .
H7A H 0.7723 0.7774 0.6074 0.060 Uiso 1 1 calc R . .
H7B H 0.7751 0.8366 0.5587 0.060 Uiso 1 1 calc R . .
C8 C 0.69651(16) 0.79821(18) 0.5502(2) 0.0543(10) Uani 1 1 d . . .
H8A H 0.6751 0.8330 0.5390 0.082 Uiso 1 1 calc R . .
H8B H 0.6736 0.7727 0.5852 0.082 Uiso 1 1 calc R . .
H8C H 0.7056 0.7794 0.4970 0.082 Uiso 1 1 calc R . .
C9 C 0.96847(12) 0.75592(12) 0.74986(17) 0.0281(6) Uani 1 1 d . . .
H9 H 0.9836 0.7955 0.7489 0.034 Uiso 1 1 calc R . .
C10 C 0.94736(11) 0.74483(11) 0.83880(16) 0.0247(6) Uani 1 1 d . . .
H10 H 0.9335 0.7047 0.8401 0.030 Uiso 1 1 calc R . .
C11 C 0.99627(13) 0.74868(14) 0.9023(2) 0.0382(8) Uani 1 1 d . . .
H11A H 1.0113 0.7879 0.9030 0.046 Uiso 1 1 calc R . .
H11B H 0.9818 0.7399 0.9592 0.046 Uiso 1 1 calc R . .
C12 C 1.04332(14) 0.70811(16) 0.8805(2) 0.0507(9) Uani 1 1 d . . .
H12A H 1.0289 0.6687 0.8824 0.061 Uiso 1 1 calc R . .
H12B H 1.0744 0.7117 0.9221 0.061 Uiso 1 1 calc R . .
C13 C 1.06564(13) 0.72095(17) 0.7939(2) 0.0533(10) Uani 1 1 d . . .
H13A H 1.0963 0.6939 0.7798 0.064 Uiso 1 1 calc R . .
H13B H 1.0817 0.7598 0.7929 0.064 Uiso 1 1 calc R . .
C14 C 1.01819(13) 0.71635(15) 0.7289(2) 0.0421(8) Uani 1 1 d . . .
H14A H 1.0044 0.6767 0.7268 0.051 Uiso 1 1 calc R . .
H14B H 1.0334 0.7262 0.6728 0.051 Uiso 1 1 calc R . .
C15 C 0.91068(13) 0.69624(14) 0.65343(19) 0.0387(7) Uani 1 1 d . . .
H15A H 0.9426 0.6859 0.6170 0.058 Uiso 1 1 calc R . .
H15B H 0.8755 0.6959 0.6207 0.058 Uiso 1 1 calc R . .
H15C H 0.9077 0.6688 0.6995 0.058 Uiso 1 1 calc R . .
C16 C 0.93120(15) 0.79323(17) 0.6185(2) 0.0501(9) Uani 1 1 d . . .
H16A H 0.8994 0.7921 0.5789 0.075 Uiso 1 1 calc R . .
H16B H 0.9661 0.7820 0.5896 0.075 Uiso 1 1 calc R . .
H16C H 0.9354 0.8319 0.6404 0.075 Uiso 1 1 calc R . .
C17 C 0.91304(14) 0.84257(13) 0.8683(2) 0.0422(8) Uani 1 1 d . . .
H17A H 0.9301 0.8561 0.8158 0.063 Uiso 1 1 calc R . .
H17B H 0.9403 0.8471 0.9143 0.063 Uiso 1 1 calc R . .
H17C H 0.8788 0.8647 0.8804 0.063 Uiso 1 1 calc R . .
C18 C 0.87005(14) 0.76231(16) 0.93775(17) 0.0453(9) Uani 1 1 d . . .
H18A H 0.8956 0.7687 0.9854 0.068 Uiso 1 1 calc R . .
H18B H 0.8612 0.7218 0.9335 0.068 Uiso 1 1 calc R . .
H18C H 0.8349 0.7838 0.9463 0.068 Uiso 1 1 calc R . .
C19 C 0.69024(14) 0.94176(14) 0.87461(19) 0.0409(8) Uani 1 1 d . . .
H19A H 0.6999 0.9071 0.8437 0.061 Uiso 1 1 calc R . .
H19B H 0.6720 0.9316 0.9278 0.061 Uiso 1 1 calc R . .
H19C H 0.7249 0.9634 0.8860 0.061 Uiso 1 1 calc R . .
C20 C 0.61545(18) 1.04476(16) 0.8801(2) 0.0566(10) Uani 1 1 d . . .
H20A H 0.6473 1.0702 0.8924 0.085 Uiso 1 1 calc R . .
H20B H 0.6009 1.0287 0.9326 0.085 Uiso 1 1 calc R . .
H20C H 0.5852 1.0661 0.8520 0.085 Uiso 1 1 calc R . .
C21 C 0.57662(15) 0.93846(17) 0.7951(3) 0.0581(11) Uani 1 1 d . . .
H21A H 0.5472 0.9588 0.7636 0.087 Uiso 1 1 calc R . .
H21B H 0.5616 0.9273 0.8501 0.087 Uiso 1 1 calc R . .
H21C H 0.5880 0.9045 0.7639 0.087 Uiso 1 1 calc R . .
C22 C 0.57330(15) 1.06711(16) 0.6408(2) 0.0541(10) Uani 1 1 d . . .
H22A H 0.5453 1.0483 0.6767 0.081 Uiso 1 1 calc R . .
H22B H 0.5568 1.0737 0.5852 0.081 Uiso 1 1 calc R . .
H22C H 0.5841 1.1035 0.6659 0.081 Uiso 1 1 calc R . .
C23 C 0.6145(2) 0.95604(17) 0.5721(3) 0.0756(14) Uani 1 1 d . . .
H23A H 0.6478 0.9334 0.5570 0.113 Uiso 1 1 calc R . .
H23B H 0.5943 0.9673 0.5210 0.113 Uiso 1 1 calc R . .
H23C H 0.5892 0.9334 0.6078 0.113 Uiso 1 1 calc R . .
C24 C 0.68397(17) 1.0603(2) 0.5540(2) 0.0654(12) Uani 1 1 d . . .
H24A H 0.6939 1.0975 0.5774 0.098 Uiso 1 1 calc R . .
H24B H 0.6635 1.0655 0.5010 0.098 Uiso 1 1 calc R . .
H24C H 0.7187 1.0385 0.5438 0.098 Uiso 1 1 calc R . .
C25 C 0.91200(16) 1.10310(15) 0.8545(2) 0.0511(9) Uani 1 1 d . . .
H25A H 0.9460 1.0833 0.8344 0.077 Uiso 1 1 calc R . .
H25B H 0.9174 1.1141 0.9133 0.077 Uiso 1 1 calc R . .
H25C H 0.9055 1.1371 0.8204 0.077 Uiso 1 1 calc R . .
C26 C 0.86708(15) 0.99127(13) 0.91222(18) 0.0394(8) Uani 1 1 d . . .
H26A H 0.8342 0.9658 0.9151 0.059 Uiso 1 1 calc R . .
H26B H 0.8772 1.0038 0.9690 0.059 Uiso 1 1 calc R . .
H26C H 0.8993 0.9711 0.8872 0.059 Uiso 1 1 calc R . .
C27 C 0.79033(15) 1.09247(15) 0.90350(19) 0.0446(9) Uani 1 1 d . . .
H27A H 0.7839 1.1297 0.8779 0.067 Uiso 1 1 calc R . .
H27B H 0.8011 1.0974 0.9625 0.067 Uiso 1 1 calc R . .
H27C H 0.7554 1.0699 0.9001 0.067 Uiso 1 1 calc R . .
C28 C 0.91612(16) 1.09031(16) 0.6331(2) 0.0561(10) Uani 1 1 d . . .
H28A H 0.8896 1.1200 0.6152 0.084 Uiso 1 1 calc R . .
H28B H 0.9406 1.0798 0.5858 0.084 Uiso 1 1 calc R . .
H28C H 0.9395 1.1045 0.6794 0.084 Uiso 1 1 calc R . .
C29 C 0.92903(14) 0.96946(15) 0.6953(2) 0.0486(9) Uani 1 1 d . . .
H29A H 0.9511 0.9813 0.7444 0.073 Uiso 1 1 calc R . .
H29B H 0.9545 0.9640 0.6473 0.073 Uiso 1 1 calc R . .
H29C H 0.9094 0.9337 0.7077 0.073 Uiso 1 1 calc R . .
C30 C 0.83795(16) 0.99766(19) 0.57302(19) 0.0565(11) Uani 1 1 d . . .
H30A H 0.8156 0.9641 0.5883 0.085 Uiso 1 1 calc R . .
H30B H 0.8662 0.9872 0.5307 0.085 Uiso 1 1 calc R . .
H30C H 0.8127 1.0269 0.5501 0.085 Uiso 1 1 calc R . .
H1A H 0.7928(11) 0.6776(11) 0.7172(16) 0.019(7) Uiso 1 1 d . . .
H1B H 0.8095(14) 0.6718(13) 0.809(2) 0.044(9) Uiso 1 1 d . . .
H5A H 0.7924(13) 0.8719(13) 0.7750(19) 0.037(8) Uiso 1 1 d . . .
H5B H 0.8221(12) 0.8734(12) 0.6954(17) 0.021(8) Uiso 1 1 d . . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.
;

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
Mg1 N1 2.177(2) . ?
Mg1 N2 2.214(2) . ?
Na1 N4 2.381(2) 4_646 ?
Na1 N3 2.405(2) 4_646 ?
Na1 Na2 2.9667(15) 4_646 ?
Na1 C27 2.977(3) 4_646 ?
Na1 Si3 3.2291(13) 4_646 ?
Na1 Si2 3.2763(13) 4_646 ?
Na1 H1A 2.44(3) . ?
Na1 H1B 2.43(3) . ?
Na2 N3 2.389(2) . ?
Na2 N4 2.407(2) . ?
Na2 C6 2.936(3) . ?
Na2 Na1 2.9667(15) 4_656 ?
Na2 Si4 3.2017(13) . ?
Na2 Si1 3.2107(14) . ?
Na2 H5A 2.36(3) . ?
Na2 H5B 2.57(3) . ?
Si1 N3 1.688(2) . ?
Si1 C20 1.869(3) . ?
Si1 C19 1.885(3) . ?
Si1 C21 1.887(4) . ?
Si2 N3 1.689(2) . ?
Si2 C23 1.870(4) . ?
Si2 C22 1.873(3) . ?
Si2 C24 1.881(4) . ?
Si2 Na1 3.2763(13) 4_656 ?
Si3 N4 1.689(2) . ?
Si3 C25 1.877(3) . ?
Si3 C26 1.879(3) . ?
Si3 C27 1.882(3) . ?
Si3 Na1 3.2291(13) 4_656 ?
Si4 N4 1.686(2) . ?
Si4 C30 1.886(3) . ?
Si4 C28 1.886(4) . ?
Si4 C29 1.890(3) . ?
N1 C18 1.477(4) . ?
N1 C10 1.488(3) . ?
N1 C17 1.491(4) . ?
N2 C16 1.472(4) . ?
N2 C15 1.484(4) . ?
N2 C9 1.504(3) . ?
N3 Na1 2.405(2) 4_656 ?
N4 Na1 2.381(2) 4_656 ?
C1 C2 1.541(4) . ?
C1 H1A 0.94(3) . ?
C1 H1B 0.97(3) . ?
C2 C3 1.484(5) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.516(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.530(4) . ?
C5 H5A 0.95(3) . ?
C5 H5B 0.86(3) . ?
C6 C7 1.475(5) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.523(5) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.524(4) . ?
C9 C14 1.534(4) . ?
C9 H9 1.0000 . ?
C10 C11 1.536(4) . ?
C10 H10 1.0000 . ?
C11 C12 1.504(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.506(5) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.528(4) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
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 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 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
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 . ?

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 Mg1 N2 80.99(9) . . ?
N4 Na1 N3 103.53(8) 4_646 4_646 ?
N4 Na1 Na2 52.11(6) 4_646 4_646 ?
N3 Na1 Na2 51.53(6) 4_646 4_646 ?
N4 Na1 C27 65.36(9) 4_646 4_646 ?
N3 Na1 C27 111.88(10) 4_646 4_646 ?
Na2 Na1 C27 90.50(8) 4_646 4_646 ?
N4 Na1 Si3 30.54(5) 4_646 4_646 ?
N3 Na1 Si3 113.45(7) 4_646 4_646 ?
Na2 Na1 Si3 69.69(3) 4_646 4_646 ?
C27 Na1 Si3 35.02(7) 4_646 4_646 ?
N4 Na1 Si2 118.39(6) 4_646 4_646 ?
N3 Na1 Si2 29.86(6) 4_646 4_646 ?
Na2 Na1 Si2 70.10(3) 4_646 4_646 ?
C27 Na1 Si2 140.69(8) 4_646 4_646 ?
Si3 Na1 Si2 139.34(4) 4_646 4_646 ?
N4 Na1 H1A 131.3(6) 4_646 . ?
N3 Na1 H1A 119.1(6) 4_646 . ?
Na2 Na1 H1A 160.3(6) 4_646 . ?
C27 Na1 H1A 77.1(6) 4_646 . ?
Si3 Na1 H1A 105.5(6) 4_646 . ?
Si2 Na1 H1A 110.3(6) 4_646 . ?
N4 Na1 H1B 146.8(8) 4_646 . ?
N3 Na1 H1B 107.1(8) 4_646 . ?
Na2 Na1 H1B 154.2(8) 4_646 . ?
C27 Na1 H1B 113.1(8) 4_646 . ?
Si3 Na1 H1B 136.0(8) 4_646 . ?
Si2 Na1 H1B 84.6(8) 4_646 . ?
H1A Na1 H1B 36.3(9) . . ?
N3 Na2 N4 103.21(8) . . ?
N3 Na2 C6 107.41(9) . . ?
N4 Na2 C6 147.73(10) . . ?
N3 Na2 Na1 52.00(6) . 4_656 ?
N4 Na2 Na1 51.32(6) . 4_656 ?
C6 Na2 Na1 156.12(7) . 4_656 ?
N3 Na2 Si4 120.12(7) . . ?
N4 Na2 Si4 31.06(6) . . ?
C6 Na2 Si4 119.69(8) . . ?
Na1 Na2 Si4 71.93(3) 4_656 . ?
N3 Na2 Si1 30.87(5) . . ?
N4 Na2 Si1 113.04(7) . . ?
C6 Na2 Si1 98.59(8) . . ?
Na1 Na2 Si1 69.63(3) 4_656 . ?
Si4 Na2 Si1 140.96(4) . . ?
N3 Na2 H5A 134.4(7) . . ?
N4 Na2 H5A 115.6(7) . . ?
C6 Na2 H5A 44.3(7) . . ?
Na1 Na2 H5A 158.0(8) 4_656 . ?
Si4 Na2 H5A 105.4(7) . . ?
Si1 Na2 H5A 107.5(7) . . ?
N3 Na2 H5B 149.1(6) . . ?
N4 Na2 H5B 106.0(6) . . ?
C6 Na2 H5B 42.2(6) . . ?
Na1 Na2 H5B 154.3(7) 4_656 . ?
Si4 Na2 H5B 82.4(7) . . ?
Si1 Na2 H5B 136.1(7) . . ?
H5A Na2 H5B 33.9(9) . . ?
N3 Si1 C20 113.83(15) . . ?
N3 Si1 C19 110.53(13) . . ?
C20 Si1 C19 106.12(16) . . ?
N3 Si1 C21 116.34(15) . . ?
C20 Si1 C21 105.52(19) . . ?
C19 Si1 C21 103.53(16) . . ?
N3 Si1 Na2 46.57(8) . . ?
C20 Si1 Na2 131.03(14) . . ?
C19 Si1 Na2 64.15(10) . . ?
C21 Si1 Na2 123.44(14) . . ?
N3 Si2 C23 115.64(16) . . ?
N3 Si2 C22 114.51(14) . . ?
C23 Si2 C22 106.4(2) . . ?
N3 Si2 C24 110.80(14) . . ?
C23 Si2 C24 104.5(2) . . ?
C22 Si2 C24 103.86(19) . . ?
N3 Si2 Na1 45.15(8) . 4_656 ?
C23 Si2 Na1 147.15(15) . 4_656 ?
C22 Si2 Na1 106.27(13) . 4_656 ?
C24 Si2 Na1 70.50(12) . 4_656 ?
N4 Si3 C25 115.87(13) . . ?
N4 Si3 C26 113.81(13) . . ?
C25 Si3 C26 105.25(16) . . ?
N4 Si3 C27 110.49(13) . . ?
C25 Si3 C27 104.97(17) . . ?
C26 Si3 C27 105.58(15) . . ?
N4 Si3 Na1 45.76(8) . 4_656 ?
C25 Si3 Na1 122.40(12) . 4_656 ?
C26 Si3 Na1 132.34(11) . 4_656 ?
C27 Si3 Na1 65.16(10) . 4_656 ?
N4 Si4 C30 110.94(14) . . ?
N4 Si4 C28 115.12(15) . . ?
C30 Si4 C28 105.97(18) . . ?
N4 Si4 C29 113.33(14) . . ?
C30 Si4 C29 103.88(18) . . ?
C28 Si4 C29 106.73(16) . . ?
N4 Si4 Na2 47.45(8) . . ?
C30 Si4 Na2 71.41(12) . . ?
C28 Si4 Na2 153.55(12) . . ?
C29 Si4 Na2 99.30(11) . . ?
C18 N1 C10 111.0(2) . . ?
C18 N1 C17 108.8(2) . . ?
C10 N1 C17 113.1(2) . . ?
C18 N1 Mg1 110.09(18) . . ?
C10 N1 Mg1 105.71(15) . . ?
C17 N1 Mg1 108.12(17) . . ?
C16 N2 C15 108.7(2) . . ?
C16 N2 C9 109.8(2) . . ?
C15 N2 C9 112.8(2) . . ?
C16 N2 Mg1 112.40(19) . . ?
C15 N2 Mg1 103.64(17) . . ?
C9 N2 Mg1 109.52(16) . . ?
Si1 N3 Si2 123.28(14) . . ?
Si1 N3 Na2 102.55(11) . . ?
Si2 N3 Na2 122.71(12) . . ?
Si1 N3 Na1 118.31(11) . 4_656 ?
Si2 N3 Na1 104.99(11) . 4_656 ?
Na2 N3 Na1 76.47(7) . 4_656 ?
Si4 N4 Si3 122.49(13) . . ?
Si4 N4 Na1 125.39(12) . 4_656 ?
Si3 N4 Na1 103.70(11) . 4_656 ?
Si4 N4 Na2 101.48(11) . . ?
Si3 N4 Na2 118.92(11) . . ?
Na1 N4 Na2 76.57(7) 4_656 . ?
C2 C1 H1A 112.9(17) . . ?
C2 C1 H1B 108.9(19) . . ?
H1A C1 H1B 105(2) . . ?
C3 C2 C1 114.5(3) . . ?
C3 C2 H2A 108.6 . . ?
C1 C2 H2A 108.6 . . ?
C3 C2 H2B 108.6 . . ?
C1 C2 H2B 108.6 . . ?
H2A C2 H2B 107.6 . . ?
C2 C3 C4 115.5(4) . . ?
C2 C3 H3A 108.4 . . ?
C4 C3 H3A 108.4 . . ?
C2 C3 H3B 108.4 . . ?
C4 C3 H3B 108.4 . . ?
H3A C3 H3B 107.5 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 H5A 110.8(19) . . ?
C6 C5 H5B 111.3(19) . . ?
H5A C5 H5B 106(3) . . ?
C7 C6 C5 112.7(3) . . ?
C7 C6 Na2 133.0(2) . . ?
C5 C6 Na2 66.45(15) . . ?
C7 C6 H6A 109.0 . . ?
C5 C6 H6A 109.0 . . ?
Na2 C6 H6A 115.4 . . ?
C7 C6 H6B 109.0 . . ?
C5 C6 H6B 109.0 . . ?
Na2 C6 H6B 43.2 . . ?
H6A C6 H6B 107.8 . . ?
C6 C7 C8 114.6(3) . . ?
C6 C7 H7A 108.6 . . ?
C8 C7 H7A 108.6 . . ?
C6 C7 H7B 108.6 . . ?
C8 C7 H7B 108.6 . . ?
H7A C7 H7B 107.6 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N2 C9 C10 110.7(2) . . ?
N2 C9 C14 114.7(2) . . ?
C10 C9 C14 110.3(2) . . ?
N2 C9 H9 106.9 . . ?
C10 C9 H9 106.9 . . ?
C14 C9 H9 106.9 . . ?
N1 C10 C9 111.3(2) . . ?
N1 C10 C11 114.1(2) . . ?
C9 C10 C11 110.9(2) . . ?
N1 C10 H10 106.7 . . ?
C9 C10 H10 106.7 . . ?
C11 C10 H10 106.7 . . ?
C12 C11 C10 111.3(3) . . ?
C12 C11 H11A 109.4 . . ?
C10 C11 H11A 109.4 . . ?
C12 C11 H11B 109.4 . . ?
C10 C11 H11B 109.4 . . ?
H11A C11 H11B 108.0 . . ?
C11 C12 C13 109.9(3) . . ?
C11 C12 H12A 109.7 . . ?
C13 C12 H12A 109.7 . . ?
C11 C12 H12B 109.7 . . ?
C13 C12 H12B 109.7 . . ?
H12A C12 H12B 108.2 . . ?
C12 C13 C14 110.5(3) . . ?
C12 C13 H13A 109.5 . . ?
C14 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C14 C13 H13B 109.5 . . ?
H13A C13 H13B 108.1 . . ?
C13 C14 C9 111.6(3) . . ?
C13 C14 H14A 109.3 . . ?
C9 C14 H14A 109.3 . . ?
C13 C14 H14B 109.3 . . ?
C9 C14 H14B 109.3 . . ?
H14A C14 H14B 108.0 . . ?
N2 C15 H15A 109.5 . . ?
N2 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
N2 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N2 C16 H16A 109.5 . . ?
N2 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
N2 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N1 C17 H17A 109.5 . . ?
N1 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
N1 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N1 C18 H18A 109.5 . . ?
N1 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N1 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si1 C19 H19A 109.5 . . ?
Si1 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si1 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si1 C20 H20A 109.5 . . ?
Si1 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si1 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si1 C21 H21A 109.5 . . ?
Si1 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si1 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si2 C22 H22A 109.5 . . ?
Si2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si2 C23 H23A 109.5 . . ?
Si2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si2 C24 H24A 109.5 . . ?
Si2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si3 C25 H25A 109.5 . . ?
Si3 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si3 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si3 C26 H26A 109.5 . . ?
Si3 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si3 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si3 C27 H27A 109.5 . . ?
Si3 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si3 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si4 C28 H28A 109.5 . . ?
Si4 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si4 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si4 C29 H29A 109.5 . . ?
Si4 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si4 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si4 C30 H30A 109.5 . . ?
Si4 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
Si4 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N4 Na2 Si1 N3 76.87(12) . . . . ?
C6 Na2 Si1 N3 -109.70(13) . . . . ?
Na1 Na2 Si1 N3 48.79(11) 4_656 . . . ?
Si4 Na2 Si1 N3 59.33(12) . . . . ?
N3 Na2 Si1 C20 -85.1(2) . . . . ?
N4 Na2 Si1 C20 -8.18(18) . . . . ?
C6 Na2 Si1 C20 165.25(18) . . . . ?
Na1 Na2 Si1 C20 -36.26(17) 4_656 . . . ?
Si4 Na2 Si1 C20 -25.72(18) . . . . ?
N3 Na2 Si1 C19 -174.33(16) . . . . ?
N4 Na2 Si1 C19 -97.46(14) . . . . ?
C6 Na2 Si1 C19 75.96(14) . . . . ?
Na1 Na2 Si1 C19 -125.55(12) 4_656 . . . ?
Si4 Na2 Si1 C19 -115.00(13) . . . . ?
N3 Na2 Si1 C21 96.14(18) . . . . ?
N4 Na2 Si1 C21 173.02(16) . . . . ?
C6 Na2 Si1 C21 -13.56(16) . . . . ?
Na1 Na2 Si1 C21 144.93(15) 4_656 . . . ?
Si4 Na2 Si1 C21 155.48(15) . . . . ?
N3 Na2 Si4 N4 63.19(13) . . . . ?
C6 Na2 Si4 N4 -159.99(14) . . . . ?
Na1 Na2 Si4 N4 42.91(11) 4_656 . . . ?
Si1 Na2 Si4 N4 32.51(12) . . . . ?
N3 Na2 Si4 C30 -81.95(16) . . . . ?
N4 Na2 Si4 C30 -145.14(19) . . . . ?
C6 Na2 Si4 C30 54.87(16) . . . . ?
Na1 Na2 Si4 C30 -102.23(15) 4_656 . . . ?
Si1 Na2 Si4 C30 -112.63(16) . . . . ?
N3 Na2 Si4 C28 6.7(3) . . . . ?
N4 Na2 Si4 C28 -56.5(3) . . . . ?
C6 Na2 Si4 C28 143.5(3) . . . . ?
Na1 Na2 Si4 C28 -13.6(3) 4_656 . . . ?
Si1 Na2 Si4 C28 -24.0(3) . . . . ?
N3 Na2 Si4 C29 176.43(14) . . . . ?
N4 Na2 Si4 C29 113.24(16) . . . . ?
C6 Na2 Si4 C29 -46.76(14) . . . . ?
Na1 Na2 Si4 C29 156.15(12) 4_656 . . . ?
Si1 Na2 Si4 C29 145.75(13) . . . . ?
N2 Mg1 N1 C18 -146.1(2) . . . . ?
N2 Mg1 N1 C10 -26.22(16) . . . . ?
N2 Mg1 N1 C17 95.2(2) . . . . ?
N1 Mg1 N2 C16 -121.2(2) . . . . ?
N1 Mg1 N2 C15 121.59(18) . . . . ?
N1 Mg1 N2 C9 1.03(17) . . . . ?
C20 Si1 N3 Si2 -91.3(2) . . . . ?
C19 Si1 N3 Si2 149.38(17) . . . . ?
C21 Si1 N3 Si2 31.7(2) . . . . ?
Na2 Si1 N3 Si2 143.9(2) . . . . ?
C20 Si1 N3 Na2 124.75(16) . . . . ?
C19 Si1 N3 Na2 5.44(16) . . . . ?
C21 Si1 N3 Na2 -112.21(17) . . . . ?
C20 Si1 N3 Na1 43.5(2) . . . 4_656 ?
C19 Si1 N3 Na1 -75.80(17) . . . 4_656 ?
C21 Si1 N3 Na1 166.54(16) . . . 4_656 ?
Na2 Si1 N3 Na1 -81.24(12) . . . 4_656 ?
C23 Si2 N3 Si1 -73.4(2) . . . . ?
C22 Si2 N3 Si1 50.8(2) . . . . ?
C24 Si2 N3 Si1 167.88(19) . . . . ?
Na1 Si2 N3 Si1 139.7(2) 4_656 . . . ?
C23 Si2 N3 Na2 63.5(2) . . . . ?
C22 Si2 N3 Na2 -172.24(16) . . . . ?
C24 Si2 N3 Na2 -55.2(2) . . . . ?
Na1 Si2 N3 Na2 -83.35(13) 4_656 . . . ?
C23 Si2 N3 Na1 146.82(19) . . . 4_656 ?
C22 Si2 N3 Na1 -88.90(17) . . . 4_656 ?
C24 Si2 N3 Na1 28.2(2) . . . 4_656 ?
N4 Na2 N3 Si1 -112.99(11) . . . . ?
C6 Na2 N3 Si1 77.32(12) . . . . ?
Na1 Na2 N3 Si1 -116.50(12) 4_656 . . . ?
Si4 Na2 N3 Si1 -141.22(8) . . . . ?
N4 Na2 N3 Si2 102.81(14) . . . . ?
C6 Na2 N3 Si2 -66.88(16) . . . . ?
Na1 Na2 N3 Si2 99.30(14) 4_656 . . . ?
Si4 Na2 N3 Si2 74.58(14) . . . . ?
Si1 Na2 N3 Si2 -144.2(2) . . . . ?
N4 Na2 N3 Na1 3.51(8) . . . 4_656 ?
C6 Na2 N3 Na1 -166.18(9) . . . 4_656 ?
Si4 Na2 N3 Na1 -24.72(8) . . . 4_656 ?
Si1 Na2 N3 Na1 116.50(12) . . . 4_656 ?
C30 Si4 N4 Si3 171.04(19) . . . . ?
C28 Si4 N4 Si3 -68.6(2) . . . . ?
C29 Si4 N4 Si3 54.6(2) . . . . ?
Na2 Si4 N4 Si3 135.6(2) . . . . ?
C30 Si4 N4 Na1 -46.1(2) . . . 4_656 ?
C28 Si4 N4 Na1 74.18(19) . . . 4_656 ?
C29 Si4 N4 Na1 -162.55(15) . . . 4_656 ?
Na2 Si4 N4 Na1 -81.59(13) . . . 4_656 ?
C30 Si4 N4 Na2 35.45(19) . . . . ?
C28 Si4 N4 Na2 155.77(15) . . . . ?
C29 Si4 N4 Na2 -80.96(15) . . . . ?
C25 Si3 N4 Si4 38.5(2) . . . . ?
C26 Si3 N4 Si4 -83.75(19) . . . . ?
C27 Si3 N4 Si4 157.68(17) . . . . ?
Na1 Si3 N4 Si4 149.5(2) 4_656 . . . ?
C25 Si3 N4 Na1 -111.04(16) . . . 4_656 ?
C26 Si3 N4 Na1 126.72(14) . . . 4_656 ?
C27 Si3 N4 Na1 8.15(16) . . . 4_656 ?
C25 Si3 N4 Na2 166.92(15) . . . . ?
C26 Si3 N4 Na2 44.68(19) . . . . ?
C27 Si3 N4 Na2 -73.90(18) . . . . ?
Na1 Si3 N4 Na2 -82.05(12) 4_656 . . . ?
N3 Na2 N4 Si4 -127.53(11) . . . . ?
C6 Na2 N4 Si4 33.8(2) . . . . ?
Na1 Na2 N4 Si4 -123.99(12) 4_656 . . . ?
Si1 Na2 N4 Si4 -158.42(8) . . . . ?
N3 Na2 N4 Si3 94.87(14) . . . . ?
C6 Na2 N4 Si3 -103.78(19) . . . . ?
Na1 Na2 N4 Si3 98.41(14) 4_656 . . . ?
Si4 Na2 N4 Si3 -137.6(2) . . . . ?
Si1 Na2 N4 Si3 63.98(14) . . . . ?
N3 Na2 N4 Na1 -3.54(8) . . . 4_656 ?
C6 Na2 N4 Na1 157.81(16) . . . 4_656 ?
Si4 Na2 N4 Na1 123.99(12) . . . 4_656 ?
Si1 Na2 N4 Na1 -34.43(7) . . . 4_656 ?
C1 C2 C3 C4 177.7(4) . . . . ?
N3 Na2 C6 C7 98.5(3) . . . . ?
N4 Na2 C6 C7 -62.5(4) . . . . ?
Na1 Na2 C6 C7 70.8(4) 4_656 . . . ?
Si4 Na2 C6 C7 -43.1(3) . . . . ?
Si1 Na2 C6 C7 128.9(3) . . . . ?
N3 Na2 C6 C5 -161.73(19) . . . . ?
N4 Na2 C6 C5 37.3(3) . . . . ?
Na1 Na2 C6 C5 170.57(19) 4_656 . . . ?
Si4 Na2 C6 C5 56.6(2) . . . . ?
Si1 Na2 C6 C5 -131.31(19) . . . . ?
C5 C6 C7 C8 174.8(3) . . . . ?
Na2 C6 C7 C8 -106.9(4) . . . . ?
C16 N2 C9 C10 148.3(2) . . . . ?
C15 N2 C9 C10 -90.4(3) . . . . ?
Mg1 N2 C9 C10 24.5(3) . . . . ?
C16 N2 C9 C14 -86.1(3) . . . . ?
C15 N2 C9 C14 35.2(3) . . . . ?
Mg1 N2 C9 C14 150.0(2) . . . . ?
C18 N1 C10 C9 167.9(2) . . . . ?
C17 N1 C10 C9 -69.5(3) . . . . ?
Mg1 N1 C10 C9 48.6(2) . . . . ?
C18 N1 C10 C11 -65.7(3) . . . . ?
C17 N1 C10 C11 56.9(3) . . . . ?
Mg1 N1 C10 C11 175.0(2) . . . . ?
N2 C9 C10 N1 -50.1(3) . . . . ?
C14 C9 C10 N1 -178.1(2) . . . . ?
N2 C9 C10 C11 -178.3(2) . . . . ?
C14 C9 C10 C11 53.7(3) . . . . ?
N1 C10 C11 C12 176.5(3) . . . . ?
C9 C10 C11 C12 -56.9(3) . . . . ?
C10 C11 C12 C13 58.9(4) . . . . ?
C11 C12 C13 C14 -58.7(4) . . . . ?
C12 C13 C14 C9 57.1(4) . . . . ?
N2 C9 C14 C13 179.8(3) . . . . ?
C10 C9 C14 C13 -54.4(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.507
_refine_diff_density_min         -0.268
_refine_diff_density_rms         0.054

#===END


_database_code_depnum_ccdc_archive 'CCDC 993045'
