# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_compound1b
_database_code_depnum_ccdc_archive 'CCDC 1569294'
_audit_update_record             
;
2017-08-16 deposited with the CCDC.
2017-10-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        Mg-TIPSTEP-C6H4Hex
_chemical_name_common            Mg-TIPSTEP-C6H4Hex
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C70 H84 Mg N4 Si2'
_chemical_formula_weight         1061.90

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Mg Mg 0.1719 0.1771 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2

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

_cell_length_a                   8.4747(5)
_cell_length_b                   13.7672(8)
_cell_length_c                   13.9878(8)
_cell_angle_alpha                82.573(3)
_cell_angle_beta                 83.187(3)
_cell_angle_gamma                82.072(3)
_cell_volume                     1594.37(16)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5742
_cell_measurement_theta_min      3.20
_cell_measurement_theta_max      68.22

_exptl_crystal_description       prism
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.106
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             572
_exptl_absorpt_coefficient_mu    0.915
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.8382
_exptl_absorpt_correction_T_max  0.9141
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     1.54187
_diffrn_radiation_type           'Cu K?a'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean 10.00
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10552
_diffrn_reflns_av_R_equivalents  0.0590
_diffrn_reflns_av_sigmaI/netI    0.0798
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.20
_diffrn_reflns_theta_max         68.22
_reflns_number_total             5742
_reflns_number_gt                2286
_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/[?²(Fo²)+(0.2000P)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     empirical
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5742
_refine_ls_number_parameters     356
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.2042
_refine_ls_R_factor_gt           0.1249
_refine_ls_wR_factor_ref         0.4056
_refine_ls_wR_factor_gt          0.3398
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_restrained_S_all      1.127
_refine_ls_shift/su_max          0.003
_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
Si2 Si 0.2825(2) 0.26433(15) -0.48795(13) 0.1155(8) Uani 1 1 d . . .
Mg1 Mg 0.0000 0.5000 0.0000 0.0935(9) Uani 1 2 d S . .
N1 N 0.1950(5) 0.5029(3) -0.1017(3) 0.0885(13) Uani 1 1 d . . .
N2 N 0.1060(5) 0.5804(3) 0.0814(3) 0.0862(12) Uani 1 1 d . . .
C1 C 0.2165(7) 0.4574(4) -0.1861(4) 0.0938(16) Uani 1 1 d . . .
C2 C 0.3688(7) 0.4764(5) -0.2378(4) 0.1029(18) Uani 1 1 d . . .
H1 H 0.4135 0.4541 -0.2962 0.124 Uiso 1 1 calc R . .
C3 C 0.4335(7) 0.5325(5) -0.1849(4) 0.1001(17) Uani 1 1 d . . .
H2 H 0.5312 0.5571 -0.2007 0.120 Uiso 1 1 calc R . .
C4 C 0.3263(6) 0.5476(4) -0.1006(4) 0.0838(15) Uani 1 1 d . . .
C5 C 0.3550(6) 0.6013(4) -0.0258(4) 0.0880(16) Uani 1 1 d . . .
C6 C 0.2505(6) 0.6163(4) 0.0582(4) 0.0804(14) Uani 1 1 d . . .
C7 C 0.2769(7) 0.6723(5) 0.1336(5) 0.1031(18) Uani 1 1 d . . .
H3 H 0.3674 0.7029 0.1358 0.124 Uiso 1 1 calc R . .
C8 C 0.1507(7) 0.6728(5) 0.1994(4) 0.1016(18) Uani 1 1 d . . .
H4 H 0.1362 0.7044 0.2553 0.122 Uiso 1 1 calc R . .
C9 C 0.0414(7) 0.6163(4) 0.1688(4) 0.0935(16) Uani 1 1 d . . .
C10 C 0.1080(7) 0.4024(4) -0.2151(4) 0.0950(16) Uani 1 1 d . . .
C11 C 0.5004(7) 0.6432(4) -0.0376(4) 0.0939(16) Uani 1 1 d . . .
C12 C 0.6253(7) 0.6780(4) -0.0487(4) 0.0981(17) Uani 1 1 d . . .
C13 C 0.7727(7) 0.7187(4) -0.0616(5) 0.0967(17) Uani 1 1 d . . .
C14 C 0.8844(8) 0.7042(5) -0.1404(5) 0.116(2) Uani 1 1 d . . .
H5 H 0.8631 0.6653 -0.1858 0.139 Uiso 1 1 calc R . .
C15 C 1.0251(8) 0.7447(6) -0.1541(6) 0.124(2) Uani 1 1 d . . .
H6 H 1.0969 0.7324 -0.2081 0.149 Uiso 1 1 calc R . .
C16 C 1.0615(8) 0.8015(6) -0.0916(7) 0.131(3) Uani 1 1 d . . .
C17 C 0.9526(10) 0.8183(5) -0.0118(6) 0.129(2) Uani 1 1 d . . .
H7 H 0.9752 0.8595 0.0311 0.155 Uiso 1 1 calc R . .
C18 C 0.8124(7) 0.7766(5) 0.0064(5) 0.1101(19) Uani 1 1 d . . .
H8 H 0.7447 0.7862 0.0627 0.132 Uiso 1 1 calc R . .
C19 C 1.2183(10) 0.8488(7) -0.1041(8) 0.185(4) Uani 1 1 d . . .
H9 H 1.2464 0.8570 -0.0406 0.222 Uiso 1 1 calc R . .
H10 H 1.3035 0.8044 -0.1338 0.222 Uiso 1 1 calc R . .
C20 C 1.2081(13) 0.9404(9) -0.1607(8) 0.217(5) Uani 1 1 d D . .
H11 H 1.1057 0.9763 -0.1400 0.260 Uiso 1 1 calc R . .
H12 H 1.2026 0.9275 -0.2267 0.260 Uiso 1 1 calc R . .
C21 C 1.3307(18) 1.0100(11) -0.1653(12) 0.291(7) Uani 1 1 d DU . .
H13 H 1.3169 1.0569 -0.2226 0.349 Uiso 1 1 calc R . .
H14 H 1.3031 1.0469 -0.1098 0.349 Uiso 1 1 calc R . .
C22 C 1.4988(18) 0.9749(10) -0.1675(12) 0.276(7) Uani 1 1 d DU . .
H15 H 1.5338 0.9402 -0.2239 0.331 Uiso 1 1 calc R . .
H16 H 1.5197 0.9297 -0.1099 0.331 Uiso 1 1 calc R . .
C23 C 1.758(2) 1.0362(12) -0.2013(12) 0.294(8) Uani 1 1 d D . .
H17 H 1.7813 0.9658 -0.1878 0.441 Uiso 1 1 calc R . .
H18 H 1.8226 1.0678 -0.1660 0.441 Uiso 1 1 calc R . .
H19 H 1.7804 1.0552 -0.2695 0.441 Uiso 1 1 calc R . .
C24 C 1.589(2) 1.0659(10) -0.1719(12) 0.270(7) Uani 1 1 d D . .
H20 H 1.5464 1.1186 -0.2182 0.324 Uiso 1 1 calc R . .
H21 H 1.5772 1.0897 -0.1088 0.324 Uiso 1 1 calc R . .
C25 C 0.1571(7) 0.3563(5) -0.3026(5) 0.1029(18) Uani 1 1 d . . .
C26 C 0.2061(8) 0.3194(5) -0.3752(5) 0.117(2) Uani 1 1 d . . .
C27 C 0.5089(12) 0.2467(11) -0.4993(9) 0.223(5) Uani 1 1 d . . .
H22 H 0.5141 0.1770 -0.4725 0.268 Uiso 1 1 calc R . .
C28 C 0.5886(10) 0.2234(9) -0.5926(7) 0.207(5) Uani 1 1 d . . .
H23 H 0.5588 0.2759 -0.6417 0.311 Uiso 1 1 calc R . .
H24 H 0.5573 0.1630 -0.6073 0.311 Uiso 1 1 calc R . .
H25 H 0.7025 0.2158 -0.5905 0.311 Uiso 1 1 calc R . .
C29 C 0.5876(12) 0.2701(12) -0.4286(11) 0.264(7) Uani 1 1 d . . .
H26 H 0.6469 0.3241 -0.4535 0.396 Uiso 1 1 calc R . .
H27 H 0.6599 0.2140 -0.4064 0.396 Uiso 1 1 calc R . .
H28 H 0.5118 0.2889 -0.3755 0.396 Uiso 1 1 calc R . .
C30 C 0.2115(12) 0.3558(7) -0.5894(5) 0.156(3) Uani 1 1 d . . .
H29 H 0.2593 0.3304 -0.6499 0.187 Uiso 1 1 calc R . .
C31 C 0.2674(15) 0.4545(8) -0.5893(8) 0.233(6) Uani 1 1 d . . .
H30 H 0.1923 0.5052 -0.6182 0.350 Uiso 1 1 calc R . .
H31 H 0.3705 0.4555 -0.6259 0.350 Uiso 1 1 calc R . .
H32 H 0.2752 0.4658 -0.5239 0.350 Uiso 1 1 calc R . .
C32 C 0.0278(15) 0.3654(11) -0.5902(8) 0.261(7) Uani 1 1 d . . .
H33 H -0.0225 0.3635 -0.5249 0.392 Uiso 1 1 calc R . .
H34 H 0.0004 0.3118 -0.6199 0.392 Uiso 1 1 calc R . .
H35 H -0.0085 0.4269 -0.6264 0.392 Uiso 1 1 calc R . .
C33 C 0.2072(14) 0.1437(9) -0.4853(9) 0.214(4) Uani 1 1 d DU . .
H36 H 0.3008 0.1049 -0.4582 0.257 Uiso 1 1 calc R . .
C34 C 0.0927(17) 0.1152(9) -0.4014(8) 0.262(5) Uani 1 1 d DU . .
H37 H -0.0089 0.1109 -0.4234 0.392 Uiso 1 1 calc R . .
H38 H 0.0796 0.1640 -0.3569 0.392 Uiso 1 1 calc R . .
H39 H 0.1330 0.0523 -0.3694 0.392 Uiso 1 1 calc R . .
C35 C 0.2273(16) 0.0945(9) -0.5748(8) 0.254(5) Uani 1 1 d DU . .
H40 H 0.3041 0.1244 -0.6213 0.380 Uiso 1 1 calc R . .
H41 H 0.1264 0.1013 -0.6013 0.380 Uiso 1 1 calc R . .
H42 H 0.2643 0.0257 -0.5598 0.380 Uiso 1 1 calc R . .


_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
Si2 C26 1.848(8) . ?
Si2 C33 1.854(12) . ?
Si2 C30 1.869(9) . ?
Si2 C27 1.891(11) . ?
Mg1 N2 2.042(4) 2_565 ?
Mg1 N2 2.042(4) . ?
Mg1 N1 2.050(4) . ?
Mg1 N1 2.050(4) 2_565 ?
N1 C4 1.347(6) . ?
N1 C1 1.388(7) . ?
N2 C6 1.372(6) . ?
N2 C9 1.400(6) . ?
C1 C10 1.394(8) . ?
C1 C2 1.443(7) . ?
C2 C3 1.344(7) . ?
C2 H1 0.9300 . ?
C3 C4 1.420(7) . ?
C3 H2 0.9300 . ?
C4 C5 1.416(7) . ?
C5 C6 1.405(7) . ?
C5 C11 1.415(7) . ?
C6 C7 1.439(7) . ?
C7 C8 1.326(7) . ?
C7 H3 0.9300 . ?
C8 C9 1.424(7) . ?
C8 H4 0.9300 . ?
C9 C10 1.392(7) 2_565 ?
C10 C9 1.392(7) 2_565 ?
C10 C25 1.443(8) . ?
C11 C12 1.207(6) . ?
C12 C13 1.422(7) . ?
C13 C14 1.381(8) . ?
C13 C18 1.414(8) . ?
C14 C15 1.369(8) . ?
C14 H5 0.9300 . ?
C15 C16 1.333(10) . ?
C15 H6 0.9300 . ?
C16 C17 1.383(10) . ?
C16 C19 1.541(10) . ?
C17 C18 1.373(8) . ?
C17 H7 0.9300 . ?
C18 H8 0.9300 . ?
C19 C20 1.397(12) . ?
C19 H9 0.9700 . ?
C19 H10 0.9700 . ?
C20 C21 1.499(9) . ?
C20 H11 0.9700 . ?
C20 H12 0.9700 . ?
C21 C22 1.438(9) . ?
C21 H13 0.9700 . ?
C21 H14 0.9700 . ?
C22 C24 1.549(9) . ?
C22 H15 0.9700 . ?
C22 H16 0.9700 . ?
C23 C24 1.454(9) . ?
C23 H17 0.9600 . ?
C23 H18 0.9600 . ?
C23 H19 0.9600 . ?
C24 H20 0.9700 . ?
C24 H21 0.9700 . ?
C25 C26 1.198(8) . ?
C27 C29 1.351(11) . ?
C27 C28 1.450(10) . ?
C27 H22 0.9800 . ?
C28 H23 0.9600 . ?
C28 H24 0.9600 . ?
C28 H25 0.9600 . ?
C29 H26 0.9600 . ?
C29 H27 0.9600 . ?
C29 H28 0.9600 . ?
C30 C31 1.499(12) . ?
C30 C32 1.545(13) . ?
C30 H29 0.9800 . ?
C31 H30 0.9600 . ?
C31 H31 0.9600 . ?
C31 H32 0.9600 . ?
C32 H33 0.9600 . ?
C32 H34 0.9600 . ?
C32 H35 0.9600 . ?
C33 C34 1.480(8) . ?
C33 C35 1.481(12) . ?
C33 H36 0.9800 . ?
C34 H37 0.9600 . ?
C34 H38 0.9600 . ?
C34 H39 0.9600 . ?
C35 H40 0.9600 . ?
C35 H41 0.9600 . ?
C35 H42 0.9600 . ?

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
C26 Si2 C33 109.9(4) . . ?
C26 Si2 C30 106.0(3) . . ?
C33 Si2 C30 112.3(5) . . ?
C26 Si2 C27 109.2(4) . . ?
C33 Si2 C27 109.9(6) . . ?
C30 Si2 C27 109.4(5) . . ?
N2 Mg1 N2 180.00(17) 2_565 . ?
N2 Mg1 N1 90.52(17) 2_565 . ?
N2 Mg1 N1 89.48(17) . . ?
N2 Mg1 N1 89.48(17) 2_565 2_565 ?
N2 Mg1 N1 90.52(17) . 2_565 ?
N1 Mg1 N1 180.0 . 2_565 ?
C4 N1 C1 106.6(4) . . ?
C4 N1 Mg1 127.7(4) . . ?
C1 N1 Mg1 125.7(3) . . ?
C6 N2 C9 105.7(4) . . ?
C6 N2 Mg1 126.9(4) . . ?
C9 N2 Mg1 127.2(3) . . ?
N1 C1 C10 125.1(5) . . ?
N1 C1 C2 108.7(5) . . ?
C10 C1 C2 126.2(6) . . ?
C3 C2 C1 106.5(5) . . ?
C3 C2 H1 126.8 . . ?
C1 C2 H1 126.8 . . ?
C2 C3 C4 108.0(5) . . ?
C2 C3 H2 126.0 . . ?
C4 C3 H2 126.0 . . ?
N1 C4 C5 125.2(5) . . ?
N1 C4 C3 110.2(5) . . ?
C5 C4 C3 124.6(5) . . ?
C6 C5 C4 125.2(5) . . ?
C6 C5 C11 117.8(5) . . ?
C4 C5 C11 117.0(5) . . ?
N2 C6 C5 125.5(5) . . ?
N2 C6 C7 108.8(5) . . ?
C5 C6 C7 125.7(5) . . ?
C8 C7 C6 108.6(5) . . ?
C8 C7 H3 125.7 . . ?
C6 C7 H3 125.7 . . ?
C7 C8 C9 107.4(5) . . ?
C7 C8 H4 126.3 . . ?
C9 C8 H4 126.3 . . ?
C10 C9 N2 123.1(5) 2_565 . ?
C10 C9 C8 127.4(5) 2_565 . ?
N2 C9 C8 109.4(5) . . ?
C9 C10 C1 128.2(5) 2_565 . ?
C9 C10 C25 115.3(5) 2_565 . ?
C1 C10 C25 116.5(5) . . ?
C12 C11 C5 179.0(6) . . ?
C11 C12 C13 179.8(7) . . ?
C14 C13 C18 116.5(6) . . ?
C14 C13 C12 122.3(6) . . ?
C18 C13 C12 121.2(6) . . ?
C15 C14 C13 122.5(7) . . ?
C15 C14 H5 118.7 . . ?
C13 C14 H5 118.7 . . ?
C16 C15 C14 121.4(7) . . ?
C16 C15 H6 119.3 . . ?
C14 C15 H6 119.3 . . ?
C15 C16 C17 118.0(7) . . ?
C15 C16 C19 123.2(9) . . ?
C17 C16 C19 118.8(9) . . ?
C18 C17 C16 122.6(7) . . ?
C18 C17 H7 118.7 . . ?
C16 C17 H7 118.7 . . ?
C17 C18 C13 118.9(6) . . ?
C17 C18 H8 120.5 . . ?
C13 C18 H8 120.5 . . ?
C20 C19 C16 113.3(8) . . ?
C20 C19 H9 108.9 . . ?
C16 C19 H9 108.9 . . ?
C20 C19 H10 108.9 . . ?
C16 C19 H10 108.9 . . ?
H9 C19 H10 107.7 . . ?
C19 C20 C21 122.8(11) . . ?
C19 C20 H11 106.6 . . ?
C21 C20 H11 106.6 . . ?
C19 C20 H12 106.6 . . ?
C21 C20 H12 106.6 . . ?
H11 C20 H12 106.6 . . ?
C22 C21 C20 121.4(13) . . ?
C22 C21 H13 107.0 . . ?
C20 C21 H13 107.0 . . ?
C22 C21 H14 107.0 . . ?
C20 C21 H14 107.0 . . ?
H13 C21 H14 106.7 . . ?
C21 C22 C24 107.5(12) . . ?
C21 C22 H15 110.2 . . ?
C24 C22 H15 110.2 . . ?
C21 C22 H16 110.2 . . ?
C24 C22 H16 110.2 . . ?
H15 C22 H16 108.5 . . ?
C24 C23 H17 109.5 . . ?
C24 C23 H18 109.5 . . ?
H17 C23 H18 109.5 . . ?
C24 C23 H19 109.5 . . ?
H17 C23 H19 109.5 . . ?
H18 C23 H19 109.5 . . ?
C23 C24 C22 108.1(13) . . ?
C23 C24 H20 110.1 . . ?
C22 C24 H20 110.1 . . ?
C23 C24 H21 110.1 . . ?
C22 C24 H21 110.1 . . ?
H20 C24 H21 108.4 . . ?
C26 C25 C10 176.4(7) . . ?
C25 C26 Si2 179.1(6) . . ?
C29 C27 C28 122.9(10) . . ?
C29 C27 Si2 120.1(8) . . ?
C28 C27 Si2 116.2(8) . . ?
C29 C27 H22 93.0 . . ?
C28 C27 H22 93.0 . . ?
Si2 C27 H22 93.0 . . ?
C27 C28 H23 109.5 . . ?
C27 C28 H24 109.5 . . ?
H23 C28 H24 109.5 . . ?
C27 C28 H25 109.5 . . ?
H23 C28 H25 109.5 . . ?
H24 C28 H25 109.5 . . ?
C27 C29 H26 109.5 . . ?
C27 C29 H27 109.5 . . ?
H26 C29 H27 109.5 . . ?
C27 C29 H28 109.5 . . ?
H26 C29 H28 109.5 . . ?
H27 C29 H28 109.5 . . ?
C31 C30 C32 111.4(9) . . ?
C31 C30 Si2 112.4(8) . . ?
C32 C30 Si2 111.9(7) . . ?
C31 C30 H29 107.0 . . ?
C32 C30 H29 107.0 . . ?
Si2 C30 H29 107.0 . . ?
C30 C31 H30 109.5 . . ?
C30 C31 H31 109.5 . . ?
H30 C31 H31 109.5 . . ?
C30 C31 H32 109.5 . . ?
H30 C31 H32 109.5 . . ?
H31 C31 H32 109.5 . . ?
C30 C32 H33 109.5 . . ?
C30 C32 H34 109.5 . . ?
H33 C32 H34 109.5 . . ?
C30 C32 H35 109.5 . . ?
H33 C32 H35 109.5 . . ?
H34 C32 H35 109.5 . . ?
C34 C33 C35 121.9(9) . . ?
C34 C33 Si2 116.5(9) . . ?
C35 C33 Si2 119.5(7) . . ?
C34 C33 H36 94.8 . . ?
C35 C33 H36 94.8 . . ?
Si2 C33 H36 94.8 . . ?
C33 C34 H37 109.5 . . ?
C33 C34 H38 109.5 . . ?
H37 C34 H38 109.5 . . ?
C33 C34 H39 109.5 . . ?
H37 C34 H39 109.5 . . ?
H38 C34 H39 109.5 . . ?
C33 C35 H40 109.5 . . ?
C33 C35 H41 109.5 . . ?
H40 C35 H41 109.5 . . ?
C33 C35 H42 109.5 . . ?
H40 C35 H42 109.5 . . ?
H41 C35 H42 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 N1 C4 178.6(4) 2_565 . . . ?
N2 Mg1 N1 C4 -1.4(4) . . . . ?
N1 Mg1 N1 C4 141(100) 2_565 . . . ?
N2 Mg1 N1 C1 -1.9(4) 2_565 . . . ?
N2 Mg1 N1 C1 178.1(4) . . . . ?
N1 Mg1 N1 C1 -40(100) 2_565 . . . ?
N2 Mg1 N2 C6 147(100) 2_565 . . . ?
N1 Mg1 N2 C6 2.0(4) . . . . ?
N1 Mg1 N2 C6 -178.0(4) 2_565 . . . ?
N2 Mg1 N2 C9 -38(100) 2_565 . . . ?
N1 Mg1 N2 C9 176.9(4) . . . . ?
N1 Mg1 N2 C9 -3.1(4) 2_565 . . . ?
C4 N1 C1 C10 179.7(5) . . . . ?
Mg1 N1 C1 C10 0.1(8) . . . . ?
C4 N1 C1 C2 -0.1(6) . . . . ?
Mg1 N1 C1 C2 -179.7(4) . . . . ?
N1 C1 C2 C3 -0.6(6) . . . . ?
C10 C1 C2 C3 179.6(6) . . . . ?
C1 C2 C3 C4 1.0(6) . . . . ?
C1 N1 C4 C5 -178.7(5) . . . . ?
Mg1 N1 C4 C5 0.9(8) . . . . ?
C1 N1 C4 C3 0.7(6) . . . . ?
Mg1 N1 C4 C3 -179.7(4) . . . . ?
C2 C3 C4 N1 -1.1(7) . . . . ?
C2 C3 C4 C5 178.3(5) . . . . ?
N1 C4 C5 C6 -0.3(9) . . . . ?
C3 C4 C5 C6 -179.6(5) . . . . ?
N1 C4 C5 C11 -180.0(5) . . . . ?
C3 C4 C5 C11 0.7(8) . . . . ?
C9 N2 C6 C5 -177.9(5) . . . . ?
Mg1 N2 C6 C5 -2.1(7) . . . . ?
C9 N2 C6 C7 1.8(6) . . . . ?
Mg1 N2 C6 C7 177.6(4) . . . . ?
C4 C5 C6 N2 0.9(9) . . . . ?
C11 C5 C6 N2 -179.4(5) . . . . ?
C4 C5 C6 C7 -178.7(5) . . . . ?
C11 C5 C6 C7 1.0(8) . . . . ?
N2 C6 C7 C8 -1.7(7) . . . . ?
C5 C6 C7 C8 178.0(5) . . . . ?
C6 C7 C8 C9 0.8(7) . . . . ?
C6 N2 C9 C10 178.4(5) . . . 2_565 ?
Mg1 N2 C9 C10 2.6(8) . . . 2_565 ?
C6 N2 C9 C8 -1.3(6) . . . . ?
Mg1 N2 C9 C8 -177.1(4) . . . . ?
C7 C8 C9 C10 -179.3(6) . . . 2_565 ?
C7 C8 C9 N2 0.3(7) . . . . ?
N1 C1 C10 C9 1.6(10) . . . 2_565 ?
C2 C1 C10 C9 -178.6(6) . . . 2_565 ?
N1 C1 C10 C25 -176.6(5) . . . . ?
C2 C1 C10 C25 3.2(9) . . . . ?
C6 C5 C11 C12 165(42) . . . . ?
C4 C5 C11 C12 -16(42) . . . . ?
C5 C11 C12 C13 -72(100) . . . . ?
C11 C12 C13 C14 85(100) . . . . ?
C11 C12 C13 C18 -94(100) . . . . ?
C18 C13 C14 C15 -1.4(9) . . . . ?
C12 C13 C14 C15 178.7(6) . . . . ?
C13 C14 C15 C16 -0.4(11) . . . . ?
C14 C15 C16 C17 0.2(11) . . . . ?
C14 C15 C16 C19 -179.9(6) . . . . ?
C15 C16 C17 C18 2.0(11) . . . . ?
C19 C16 C17 C18 -177.9(6) . . . . ?
C16 C17 C18 C13 -3.8(10) . . . . ?
C14 C13 C18 C17 3.3(9) . . . . ?
C12 C13 C18 C17 -176.8(6) . . . . ?
C15 C16 C19 C20 87.3(11) . . . . ?
C17 C16 C19 C20 -92.8(11) . . . . ?
C16 C19 C20 C21 166.3(11) . . . . ?
C19 C20 C21 C22 40(2) . . . . ?
C20 C21 C22 C24 -179.8(12) . . . . ?
C21 C22 C24 C23 -164.3(15) . . . . ?
C9 C10 C25 C26 -168(11) 2_565 . . . ?
C1 C10 C25 C26 11(11) . . . . ?
C10 C25 C26 Si2 -58(49) . . . . ?
C33 Si2 C26 C25 -165(43) . . . . ?
C30 Si2 C26 C25 -44(43) . . . . ?
C27 Si2 C26 C25 74(43) . . . . ?
C26 Si2 C27 C29 2.4(16) . . . . ?
C33 Si2 C27 C29 -118.2(15) . . . . ?
C30 Si2 C27 C29 118.0(14) . . . . ?
C26 Si2 C27 C28 -167.7(9) . . . . ?
C33 Si2 C27 C28 71.7(12) . . . . ?
C30 Si2 C27 C28 -52.1(12) . . . . ?
C26 Si2 C30 C31 57.9(7) . . . . ?
C33 Si2 C30 C31 177.9(7) . . . . ?
C27 Si2 C30 C31 -59.8(8) . . . . ?
C26 Si2 C30 C32 -68.2(8) . . . . ?
C33 Si2 C30 C32 51.8(8) . . . . ?
C27 Si2 C30 C32 174.1(7) . . . . ?
C26 Si2 C33 C34 4.6(12) . . . . ?
C30 Si2 C33 C34 -113.1(10) . . . . ?
C27 Si2 C33 C34 124.8(11) . . . . ?
C26 Si2 C33 C35 168.7(9) . . . . ?
C30 Si2 C33 C35 50.9(11) . . . . ?
C27 Si2 C33 C35 -71.2(11) . . . . ?

_diffrn_measured_fraction_theta_max 0.984
_diffrn_reflns_theta_full        68.22
_diffrn_measured_fraction_theta_full 0.984
_refine_diff_density_max         0.455
_refine_diff_density_min         -0.355
_refine_diff_density_rms         0.067
