# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mgscshs10
_database_code_depnum_ccdc_archive 'CCDC 1842582'
_audit_update_record             
;
2018-05-11 deposited with the CCDC.
2018-06-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H58 Mg N6 S2 Si3'
_chemical_formula_weight         843.66

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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_H-M_alt        'P 21/m'
_space_group_name_Hall           '-P 2yb'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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

_cell_length_a                   9.6398(6)
_cell_length_b                   18.9661(11)
_cell_length_c                   12.4507(7)
_cell_angle_alpha                90
_cell_angle_beta                 100.8445(8)
_cell_angle_gamma                90
_cell_volume                     2235.7(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    158(2)
_cell_measurement_reflns_used    9909
_cell_measurement_theta_min      2.40
_cell_measurement_theta_max      30.61

_exptl_crystal_description       block
_exptl_crystal_colour            gold
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_F_000             900
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    0.252
_shelx_estimated_absorpt_T_min   0.917
_shelx_estimated_absorpt_T_max   0.978
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.6636
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      158(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            37064
_diffrn_reflns_av_unetI/netI     0.0406
_diffrn_reflns_av_R_equivalents  0.0612
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.665
_diffrn_reflns_theta_max         30.625
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             7075
_reflns_number_gt                5978
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0400P)²+0.8767P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7075
_refine_ls_number_parameters     286
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0446
_refine_ls_R_factor_gt           0.0358
_refine_ls_wR_factor_ref         0.0970
_refine_ls_wR_factor_gt          0.0908
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.002
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mg Mg 0.59536(5) 0.7500 0.19171(4) 0.01307(11) Uani 1 2 d S T P . .
S1 S 0.32789(4) 0.7500 0.20733(4) 0.02283(10) Uani 1 2 d S T P . .
S2 S 0.54815(5) 0.7500 0.40713(4) 0.02457(10) Uani 1 2 d S T P . .
Si1 Si 0.87205(4) 0.7500 0.08074(4) 0.01411(9) Uani 1 2 d S T P . .
Si2 Si 0.88783(3) 0.66656(2) 0.29743(3) 0.01523(7) Uani 1 1 d . . . . .
N11 N 0.57115(14) 0.7500 0.01698(11) 0.0145(2) Uani 1 2 d S T P . .
N12 N 0.66743(14) 0.7500 -0.13245(11) 0.0157(2) Uani 1 2 d S T P . .
N21 N 0.60968(10) 0.63457(5) 0.19344(8) 0.01502(18) Uani 1 1 d . . . . .
N22 N 0.72705(10) 0.53335(5) 0.23332(8) 0.01808(19) Uani 1 1 d . . . . .
C1 C 0.84579(15) 0.7500 0.22326(12) 0.0133(3) Uani 1 2 d S T P . .
C2 C 0.38125(19) 0.7500 0.34286(16) 0.0257(4) Uani 1 2 d S T P . .
H1 H 0.307(3) 0.7500 0.389(2) 0.041(7) Uiso 1 2 d S . P . .
C31 C 0.40253(19) 0.48530(9) -0.59389(13) 0.0388(4) Uani 1 1 d . . . . .
H31A H 0.3355 0.4750 -0.6582 0.047 Uiso 1 1 calc R U . . .
C32 C 0.4582(2) 0.55242(8) -0.57721(12) 0.0371(3) Uani 1 1 d . . . . .
H32A H 0.4298 0.5883 -0.6299 0.045 Uiso 1 1 calc R U . . .
C33 C 0.5554(2) 0.56693(8) -0.48328(13) 0.0395(4) Uani 1 1 d . . . . .
H33A H 0.5938 0.6130 -0.4715 0.047 Uiso 1 1 calc R U . . .
C101 C 0.96285(14) 0.66977(8) 0.03792(11) 0.0262(3) Uani 1 1 d . . . . .
H10D H 0.9615 0.6718 -0.0409 0.039 Uiso 1 1 calc R U . . .
H10E H 0.9135 0.6272 0.0550 0.039 Uiso 1 1 calc R U . . .
H10F H 1.0609 0.6685 0.0774 0.039 Uiso 1 1 calc R U . . .
C103 C 0.69244(16) 0.7500 -0.01968(12) 0.0144(3) Uani 1 2 d S T P . .
C104 C 0.46306(16) 0.7500 -0.07449(13) 0.0156(3) Uani 1 2 d S T P . .
C105 C 0.31662(18) 0.7500 -0.08164(15) 0.0209(3) Uani 1 2 d S T P . .
H10A H 0.2758 0.7500 -0.0179 0.025 Uiso 1 2 calc R U P . .
C106 C 0.23288(19) 0.7500 -0.18560(16) 0.0257(4) Uani 1 2 d S T P . .
H10G H 0.1330 0.7500 -0.1930 0.031 Uiso 1 2 calc R U P . .
C107 C 0.2931(2) 0.7500 -0.27982(16) 0.0266(4) Uani 1 2 d S T P . .
H10C H 0.2327 0.7500 -0.3496 0.032 Uiso 1 2 calc R U P . .
C108 C 0.43779(19) 0.7500 -0.27415(14) 0.0230(3) Uani 1 2 d S T P . .
H10B H 0.4780 0.7500 -0.3382 0.028 Uiso 1 2 calc R U P . .
C109 C 0.52241(17) 0.7500 -0.16926(13) 0.0169(3) Uani 1 2 d S T P . .
C110 C 0.77536(18) 0.7500 -0.20250(13) 0.0200(3) Uani 1 2 d S T P . .
H11A H 0.8699 0.7500 -0.1529 0.024 Uiso 1 2 calc R U P . .
C111 C 0.76652(16) 0.68334(8) -0.27128(12) 0.0327(3) Uani 1 1 d . . . . .
H11B H 0.8425 0.6834 -0.3137 0.049 Uiso 1 1 calc R U . . .
H11C H 0.6750 0.6816 -0.3212 0.049 Uiso 1 1 calc R U . . .
H11D H 0.7764 0.6420 -0.2233 0.049 Uiso 1 1 calc R U . . .
C201 C 1.06209(13) 0.62291(7) 0.29022(11) 0.0250(3) Uani 1 1 d . . . . .
H20B H 1.0951 0.5963 0.3576 0.038 Uiso 1 1 calc R U . . .
H20C H 1.1319 0.6590 0.2818 0.038 Uiso 1 1 calc R U . . .
H20D H 1.0496 0.5908 0.2275 0.038 Uiso 1 1 calc R U . . .
C202 C 0.88672(14) 0.66495(7) 0.44844(10) 0.0243(2) Uani 1 1 d . . . . .
H20E H 0.8874 0.6160 0.4736 0.036 Uiso 1 1 calc R U . . .
H20F H 0.8016 0.6887 0.4625 0.036 Uiso 1 1 calc R U . . .
H20G H 0.9706 0.6894 0.4879 0.036 Uiso 1 1 calc R U . . .
C203 C 0.73398(11) 0.60561(6) 0.23782(9) 0.0154(2) Uani 1 1 d . . . . .
C204 C 0.51863(12) 0.57869(6) 0.15873(9) 0.0160(2) Uani 1 1 d . . . . .
C205 C 0.37628(13) 0.57877(7) 0.10777(10) 0.0216(2) Uani 1 1 d . . . . .
H20A H 0.3253 0.6216 0.0928 0.026 Uiso 1 1 calc R U . . .
C206 C 0.31233(14) 0.51420(7) 0.07993(11) 0.0263(3) Uani 1 1 d . . . . .
H20H H 0.2153 0.5128 0.0465 0.032 Uiso 1 1 calc R U . . .
C207 C 0.38767(15) 0.45086(7) 0.10005(11) 0.0274(3) Uani 1 1 d . . . . .
H20J H 0.3414 0.4076 0.0776 0.033 Uiso 1 1 calc R U . . .
C208 C 0.52742(15) 0.44986(6) 0.15166(11) 0.0248(3) Uani 1 1 d . . . . .
H20I H 0.5782 0.4069 0.1659 0.030 Uiso 1 1 calc R U . . .
C209 C 0.59097(13) 0.51476(6) 0.18206(9) 0.0181(2) Uani 1 1 d . . . . .
C210 C 0.83880(14) 0.48494(6) 0.28571(11) 0.0243(3) Uani 1 1 d . . . . .
H21A H 0.9182 0.5146 0.3249 0.029 Uiso 1 1 calc R U . . .
C211 C 0.78766(17) 0.43961(8) 0.37162(13) 0.0349(3) Uani 1 1 d . . . . .
H21B H 0.8662 0.4110 0.4101 0.052 Uiso 1 1 calc R U . . .
H21C H 0.7115 0.4086 0.3359 0.052 Uiso 1 1 calc R U . . .
H21D H 0.7525 0.4701 0.4241 0.052 Uiso 1 1 calc R U . . .
C212 C 0.89678(17) 0.44180(8) 0.20073(14) 0.0372(3) Uani 1 1 d . . . . .
H21E H 0.9730 0.4112 0.2376 0.056 Uiso 1 1 calc R U . . .
H21F H 0.9336 0.4736 0.1508 0.056 Uiso 1 1 calc R U . . .
H21G H 0.8210 0.4128 0.1592 0.056 Uiso 1 1 calc R U . . .


_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
Mg N11 2.1439(14) . ?
Mg N21 2.1934(10) . ?
Mg N21 2.1935(10) 4_575 ?
Mg C1 2.3718(16) . ?
Mg S1 2.6219(7) . ?
Mg S2 2.8036(7) . ?
Mg Si1 3.2265(7) . ?
S1 C2 1.669(2) . ?
S2 C2 1.657(2) . ?
Si1 C1 1.8390(16) . ?
Si1 C101 1.8819(13) . ?
Si1 C101 1.8819(13) 4_575 ?
Si1 C103 1.9355(16) . ?
Si2 C1 1.8386(8) . ?
Si2 C202 1.8825(13) . ?
Si2 C201 1.8899(12) . ?
Si2 C203 1.9164(12) . ?
N11 C103 1.333(2) . ?
N11 C104 1.391(2) . ?
N12 C103 1.379(2) . ?
N12 C109 1.387(2) . ?
N12 C110 1.478(2) . ?
N21 C203 1.3392(14) . ?
N21 C204 1.3920(14) . ?
N22 C203 1.3729(14) . ?
N22 C209 1.3919(15) . ?
N22 C210 1.4712(15) . ?
C1 Si2 1.8387(8) 4_575 ?
C31 C32 1.382(2) . ?
C31 C33 1.386(2) 3_664 ?
C32 C33 1.382(2) . ?
C33 C31 1.386(2) 3_664 ?
C104 C105 1.398(2) . ?
C104 C109 1.405(2) . ?
C105 C106 1.391(2) . ?
C106 C107 1.404(3) . ?
C107 C108 1.383(3) . ?
C108 C109 1.404(2) . ?
C110 C111 1.5204(16) 4_575 ?
C110 C111 1.5204(16) . ?
C204 C205 1.3992(16) . ?
C204 C209 1.4017(16) . ?
C205 C206 1.3856(17) . ?
C206 C207 1.402(2) . ?
C207 C208 1.379(2) . ?
C208 C209 1.3950(16) . ?
C210 C212 1.525(2) . ?
C210 C211 1.525(2) . ?

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
N11 Mg N21 90.26(3) . . ?
N11 Mg N21 90.27(3) . 4_575 ?
N21 Mg N21 172.91(5) . 4_575 ?
N11 Mg C1 94.65(5) . . ?
N21 Mg C1 86.45(3) . . ?
N21 Mg C1 86.45(3) 4_575 . ?
N11 Mg S1 98.89(4) . . ?
N21 Mg S1 93.45(3) . . ?
N21 Mg S1 93.45(3) 4_575 . ?
C1 Mg S1 166.46(4) . . ?
N11 Mg S2 164.69(4) . . ?
N21 Mg S2 90.68(3) . . ?
N21 Mg S2 90.68(3) 4_575 . ?
C1 Mg S2 100.66(4) . . ?
S1 Mg S2 65.803(18) . . ?
N11 Mg Si1 60.42(4) . . ?
N21 Mg Si1 87.06(3) . . ?
N21 Mg Si1 87.06(3) 4_575 . ?
C1 Mg Si1 34.23(4) . . ?
S1 Mg Si1 159.31(2) . . ?
S2 Mg Si1 134.89(2) . . ?
C2 S1 Mg 87.41(7) . . ?
C2 S2 Mg 81.70(7) . . ?
C1 Si1 C101 115.41(5) . . ?
C1 Si1 C101 115.41(5) . 4_575 ?
C101 Si1 C101 107.92(9) . 4_575 ?
C1 Si1 C103 110.76(7) . . ?
C101 Si1 C103 102.96(5) . . ?
C101 Si1 C103 102.96(5) 4_575 . ?
C1 Si1 Mg 46.51(5) . . ?
C101 Si1 Mg 125.97(5) . . ?
C101 Si1 Mg 125.97(5) 4_575 . ?
C103 Si1 Mg 64.25(5) . . ?
C1 Si2 C202 118.26(6) . . ?
C1 Si2 C201 117.84(6) . . ?
C202 Si2 C201 102.27(6) . . ?
C1 Si2 C203 104.08(6) . . ?
C202 Si2 C203 103.16(6) . . ?
C201 Si2 C203 110.33(6) . . ?
C103 N11 C104 106.84(13) . . ?
C103 N11 Mg 114.36(10) . . ?
C104 N11 Mg 138.79(11) . . ?
C103 N12 C109 107.98(13) . . ?
C103 N12 C110 126.37(13) . . ?
C109 N12 C110 125.65(13) . . ?
C203 N21 C204 106.19(9) . . ?
C203 N21 Mg 117.59(7) . . ?
C204 N21 Mg 136.22(8) . . ?
C203 N22 C209 107.82(9) . . ?
C203 N22 C210 125.38(10) . . ?
C209 N22 C210 126.41(10) . . ?
Si2 C1 Si2 118.79(8) . 4_575 ?
Si2 C1 Si1 115.30(5) . . ?
Si2 C1 Si1 115.30(5) 4_575 . ?
Si2 C1 Mg 101.80(5) . . ?
Si2 C1 Mg 101.80(5) 4_575 . ?
Si1 C1 Mg 99.25(7) . . ?
S2 C2 S1 125.09(11) . . ?
C32 C31 C33 119.97(15) . 3_664 ?
C33 C32 C31 119.54(15) . . ?
C32 C33 C31 120.50(14) . 3_664 ?
N11 C103 N12 110.61(13) . . ?
N11 C103 Si1 120.97(11) . . ?
N12 C103 Si1 128.42(11) . . ?
N11 C104 C105 130.08(15) . . ?
N11 C104 C109 109.08(13) . . ?
C105 C104 C109 120.84(15) . . ?
C106 C105 C104 117.50(17) . . ?
C105 C106 C107 121.27(16) . . ?
C108 C107 C106 121.94(16) . . ?
C107 C108 C109 116.84(17) . . ?
N12 C109 C108 132.90(16) . . ?
N12 C109 C104 105.48(13) . . ?
C108 C109 C104 121.62(15) . . ?
N12 C110 C111 111.18(10) . 4_575 ?
N12 C110 C111 111.18(10) . . ?
C111 C110 C111 112.51(16) 4_575 . ?
N21 C203 N22 111.08(10) . . ?
N21 C203 Si2 118.66(8) . . ?
N22 C203 Si2 130.26(8) . . ?
N21 C204 C205 130.33(10) . . ?
N21 C204 C209 109.53(10) . . ?
C205 C204 C209 120.14(11) . . ?
C206 C205 C204 117.69(12) . . ?
C205 C206 C207 121.44(12) . . ?
C208 C207 C206 121.52(12) . . ?
C207 C208 C209 117.05(12) . . ?
N22 C209 C208 132.51(11) . . ?
N22 C209 C204 105.37(10) . . ?
C208 C209 C204 122.08(11) . . ?
N22 C210 C212 111.15(11) . . ?
N22 C210 C211 110.88(11) . . ?
C212 C210 C211 113.17(12) . . ?

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
C202 Si2 C1 Si2 29.24(11) . . . 4_575 ?
C201 Si2 C1 Si2 -94.59(10) . . . 4_575 ?
C203 Si2 C1 Si2 142.90(8) . . . 4_575 ?
C202 Si2 C1 Si1 172.27(7) . . . . ?
C201 Si2 C1 Si1 48.44(10) . . . . ?
C203 Si2 C1 Si1 -74.07(8) . . . . ?
C202 Si2 C1 Mg -81.44(7) . . . . ?
C201 Si2 C1 Mg 154.72(6) . . . . ?
C203 Si2 C1 Mg 32.21(6) . . . . ?
C101 Si1 C1 Si2 -8.64(10) . . . . ?
C101 Si1 C1 Si2 -135.71(7) 4_575 . . . ?
C103 Si1 C1 Si2 107.83(7) . . . . ?
Mg Si1 C1 Si2 107.83(7) . . . . ?
C101 Si1 C1 Si2 135.71(7) . . . 4_575 ?
C101 Si1 C1 Si2 8.64(10) 4_575 . . 4_575 ?
C103 Si1 C1 Si2 -107.83(7) . . . 4_575 ?
Mg Si1 C1 Si2 -107.83(7) . . . 4_575 ?
C101 Si1 C1 Mg -116.46(6) . . . . ?
C101 Si1 C1 Mg 116.46(6) 4_575 . . . ?
C103 Si1 C1 Mg 0.0 . . . . ?
Mg S2 C2 S1 0.000(0) . . . . ?
Mg S1 C2 S2 0.0 . . . . ?
C33 C31 C32 C33 -0.1(3) 3_664 . . . ?
C31 C32 C33 C31 0.1(3) . . . 3_664 ?
C104 N11 C103 N12 0.0 . . . . ?
Mg N11 C103 N12 180.0 . . . . ?
C104 N11 C103 Si1 180.0 . . . . ?
Mg N11 C103 Si1 0.0 . . . . ?
C109 N12 C103 N11 0.000(0) . . . . ?
C110 N12 C103 N11 180.000(0) . . . . ?
C109 N12 C103 Si1 180.0 . . . . ?
C110 N12 C103 Si1 0.000(0) . . . . ?
C103 N11 C104 C105 180.0 . . . . ?
Mg N11 C104 C105 0.000(0) . . . . ?
C103 N11 C104 C109 0.0 . . . . ?
Mg N11 C104 C109 180.000(0) . . . . ?
N11 C104 C105 C106 180.0 . . . . ?
C109 C104 C105 C106 0.000(0) . . . . ?
C104 C105 C106 C107 0.000(0) . . . . ?
C105 C106 C107 C108 0.000(0) . . . . ?
C106 C107 C108 C109 0.000(0) . . . . ?
C103 N12 C109 C108 180.000(0) . . . . ?
C110 N12 C109 C108 0.000(0) . . . . ?
C103 N12 C109 C104 0.000(0) . . . . ?
C110 N12 C109 C104 180.000(0) . . . . ?
C107 C108 C109 N12 180.000(0) . . . . ?
C107 C108 C109 C104 0.000(0) . . . . ?
N11 C104 C109 N12 0.000(0) . . . . ?
C105 C104 C109 N12 180.0 . . . . ?
N11 C104 C109 C108 180.000(0) . . . . ?
C105 C104 C109 C108 0.000(0) . . . . ?
C103 N12 C110 C111 -116.90(11) . . . 4_575 ?
C109 N12 C110 C111 63.10(11) . . . 4_575 ?
C103 N12 C110 C111 116.90(11) . . . . ?
C109 N12 C110 C111 -63.10(11) . . . . ?
C204 N21 C203 N22 -0.05(12) . . . . ?
Mg N21 C203 N22 179.89(7) . . . . ?
C204 N21 C203 Si2 -179.22(8) . . . . ?
Mg N21 C203 Si2 0.72(11) . . . . ?
C209 N22 C203 N21 0.68(13) . . . . ?
C210 N22 C203 N21 -172.49(11) . . . . ?
C209 N22 C203 Si2 179.72(9) . . . . ?
C210 N22 C203 Si2 6.56(18) . . . . ?
C203 N21 C204 C205 179.48(12) . . . . ?
Mg N21 C204 C205 -0.45(19) . . . . ?
C203 N21 C204 C209 -0.59(12) . . . . ?
Mg N21 C204 C209 179.48(8) . . . . ?
N21 C204 C205 C206 178.61(12) . . . . ?
C209 C204 C205 C206 -1.32(18) . . . . ?
C204 C205 C206 C207 -1.15(19) . . . . ?
C205 C206 C207 C208 2.2(2) . . . . ?
C206 C207 C208 C209 -0.6(2) . . . . ?
C203 N22 C209 C208 176.70(13) . . . . ?
C210 N22 C209 C208 -10.2(2) . . . . ?
C203 N22 C209 C204 -1.00(13) . . . . ?
C210 N22 C209 C204 172.08(11) . . . . ?
C207 C208 C209 N22 -179.30(12) . . . . ?
C207 C208 C209 C204 -1.92(19) . . . . ?
N21 C204 C209 N22 0.99(13) . . . . ?
C205 C204 C209 N22 -179.08(10) . . . . ?
N21 C204 C209 C208 -177.01(11) . . . . ?
C205 C204 C209 C208 2.93(18) . . . . ?
C203 N22 C210 C212 -116.05(14) . . . . ?
C209 N22 C210 C212 72.04(16) . . . . ?
C203 N22 C210 C211 117.15(13) . . . . ?
C209 N22 C210 C211 -54.76(16) . . . . ?

_refine_diff_density_max         0.482
_refine_diff_density_min         -0.348
_refine_diff_density_rms         0.057

