# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_try1
_database_code_depnum_ccdc_archive 'CCDC 1517519'
_audit_update_record             
;
2016-11-16 deposited with the CCDC.
2017-03-28 downloaded from the CCDC.
;
_audit_creation_date             2015-01-05
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2014.12.26 svn.r3119 for OlexSys, GUI svn.r4975)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H53 Mg N3 Si2'
_chemical_formula_sum            'C36 H53 Mg N3 Si2'
_chemical_formula_weight         608.30
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.1877(3)
_cell_length_b                   11.2375(3)
_cell_length_c                   18.5799(5)
_cell_angle_alpha                85.9850(10)
_cell_angle_beta                 77.6490(10)
_cell_angle_gamma                77.783(2)
_cell_volume                     1830.86(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7516
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.19
_cell_measurement_theta_min      2.88
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.141
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6356
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.0843 before and 0.0486 after correction.
The Ratio of minimum to maximum transmission is 0.8519.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.103
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             660
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_av_unetI/netI     0.0518
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            29800
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.570
_diffrn_reflns_theta_min         2.245
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8168
_reflns_number_total             10999
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2008)'
_refine_diff_density_max         0.727
_refine_diff_density_min         -0.375
_refine_diff_density_rms         0.091
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     394
_refine_ls_number_reflns         10999
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0736
_refine_ls_R_factor_gt           0.0505
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0808P)²+0.3185P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1344
_refine_ls_wR_factor_ref         0.1521
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H12A,H12B,H12C} of C12
 At 1.5 times of:
  {H28A,H28B,H28C} of C28, {H36A,H36B,H36C} of C36, {H37A,H37B,H37C} of C37,
  {H35A,H35B,H35C} of C35, {H34A,H34B,H34C} of C34, {H17A,H17B,H17C} of C17,
  {H33A,H33B,H33C} of C33, {H32A,H32B,H32C} of C32, {H11A,H11B,H11C} of C11,
  {H10A,H10B,H10C} of C10, {H31A,H31B,H31C} of C31, {H30A,H30B,H30C} of C30,
  {H20A,H20B,H20C} of C20, {H21A,H21B,H21C} of C21
2.a Aromatic/amide H refined with riding coordinates:
 C27(H27), C18(H18), C2(H2), C3(H3), C6(H6), C8(H8), C15(H15), C24(H24)
2.b Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C28(H28A,H28B,H28C), C17(H17A,H17B,H17C), C33(H33A,H33B,
 H33C), C34(H34A,H34B,H34C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C37(H37A,
 H37B,H37C), C32(H32A,H32B,H32C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C),
 C21(H21A,H21B,H21C), C20(H20A,H20B,H20C), C31(H31A,H31B,H31C), C30(H30A,H30B,
 H30C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
Si1 Si -0.07226(5) 0.86090(4) 0.29996(2) 0.02351(10) Uani 1 1 d . . . . .
Si2 Si 0.09490(5) 0.74973(4) 0.41757(2) 0.02872(12) Uani 1 1 d . . . . .
Mg1 Mg 0.17947(6) 0.62932(4) 0.25578(3) 0.02130(12) Uani 1 1 d . . . . .
N2 N 0.54747(14) 0.54347(11) 0.23938(7) 0.0208(2) Uani 1 1 d . . . . .
N1 N 0.50079(14) 0.70298(11) 0.17196(7) 0.0205(2) Uani 1 1 d . . . . .
C4 C 0.42861(16) 0.79853(13) 0.12780(8) 0.0197(3) Uani 1 1 d . . . . .
C12 C 0.2356(2) 1.08072(18) -0.01165(11) 0.0409(4) Uani 1 1 d . . . . .
H12A H 0.3075 1.0825 -0.0588 0.049 Uiso 1 1 calc GR . . . .
H12B H 0.2151 1.1597 0.0117 0.049 Uiso 1 1 calc GR . . . .
H12C H 0.1404 1.0638 -0.0202 0.049 Uiso 1 1 calc GR . . . .
C28 C -0.0982(2) 0.21968(17) 0.12553(13) 0.0464(5) Uani 1 1 d . . . . .
H28A H -0.1131 0.2424 0.0753 0.070 Uiso 1 1 calc GR . . . .
H28B H -0.1964 0.2152 0.1579 0.070 Uiso 1 1 calc GR . . . .
H28C H -0.0292 0.1401 0.1254 0.070 Uiso 1 1 calc GR . . . .
C26 C -0.0299(2) 0.31457(15) 0.15339(11) 0.0338(4) Uani 1 1 d . . . . .
C27 C 0.02900(19) 0.40220(15) 0.10604(10) 0.0319(4) Uani 1 1 d . . . . .
H27 H 0.0298 0.4008 0.0549 0.038 Uiso 1 1 calc R . . . .
C29 C 0.08727(18) 0.49271(14) 0.13246(9) 0.0271(3) Uani 1 1 d . . . . .
C22 C 0.09175(17) 0.49731(14) 0.20777(9) 0.0253(3) Uani 1 1 d . . . . .
C1 C 0.42923(16) 0.62432(12) 0.21886(8) 0.0196(3) Uani 1 1 d . . . . .
C13 C 0.53289(16) 0.43780(13) 0.28740(8) 0.0206(3) Uani 1 1 d . . . . .
C19 C 0.56168(17) 0.43773(13) 0.35820(8) 0.0228(3) Uani 1 1 d . . . . .
C18 C 0.55061(19) 0.33418(14) 0.40276(8) 0.0261(3) Uani 1 1 d . . . . .
H18 H 0.5705 0.3326 0.4510 0.031 Uiso 1 1 calc R . . . .
C16 C 0.51148(18) 0.23292(13) 0.37917(9) 0.0257(3) Uani 1 1 d . . . . .
C17 C 0.4991(2) 0.12270(15) 0.42942(10) 0.0351(4) Uani 1 1 d . . . . .
H17A H 0.5994 0.0688 0.4248 0.053 Uiso 1 1 calc GR . . . .
H17B H 0.4278 0.0790 0.4157 0.053 Uiso 1 1 calc GR . . . .
H17C H 0.4621 0.1486 0.4805 0.053 Uiso 1 1 calc GR . . . .
C33 C -0.2708(2) 0.83411(16) 0.33334(10) 0.0336(4) Uani 1 1 d . . . . .
H33A H -0.2797 0.7583 0.3132 0.050 Uiso 1 1 calc GR . . . .
H33B H -0.3433 0.9022 0.3170 0.050 Uiso 1 1 calc GR . . . .
H33C H -0.2931 0.8278 0.3873 0.050 Uiso 1 1 calc GR . . . .
C34 C -0.0751(2) 1.01990(15) 0.32557(11) 0.0352(4) Uani 1 1 d . . . . .
H34A H -0.0910 1.0241 0.3793 0.053 Uiso 1 1 calc GR . . . .
H34B H -0.1580 1.0764 0.3081 0.053 Uiso 1 1 calc GR . . . .
H34C H 0.0221 1.0424 0.3028 0.053 Uiso 1 1 calc GR . . . .
N3 N 0.06473(15) 0.75406(11) 0.32991(7) 0.0245(3) Uani 1 1 d . . . . .
C35 C -0.0836(2) 0.7952(2) 0.48896(10) 0.0468(5) Uani 1 1 d . . . . .
H35A H -0.1378 0.8761 0.4760 0.070 Uiso 1 1 calc GR . . . .
H35B H -0.0574 0.7975 0.5372 0.070 Uiso 1 1 calc GR . . . .
H35C H -0.1488 0.7360 0.4909 0.070 Uiso 1 1 calc GR . . . .
C36 C 0.2267(3) 0.85032(18) 0.42999(10) 0.0424(5) Uani 1 1 d . . . . .
H36A H 0.3282 0.8204 0.4004 0.064 Uiso 1 1 calc GR . . . .
H36B H 0.2325 0.8492 0.4821 0.064 Uiso 1 1 calc GR . . . .
H36C H 0.1880 0.9338 0.4140 0.064 Uiso 1 1 calc GR . . . .
C37 C 0.1837(2) 0.59132(17) 0.44491(10) 0.0385(4) Uani 1 1 d . . . . .
H37A H 0.1076 0.5398 0.4533 0.058 Uiso 1 1 calc GR . . . .
H37B H 0.2211 0.5939 0.4903 0.058 Uiso 1 1 calc GR . . . .
H37C H 0.2688 0.5577 0.4054 0.058 Uiso 1 1 calc GR . . . .
C32 C -0.0405(2) 0.85728(17) 0.19648(9) 0.0345(4) Uani 1 1 d . . . . .
H32A H 0.0611 0.8723 0.1747 0.052 Uiso 1 1 calc GR . . . .
H32B H -0.1173 0.9204 0.1790 0.052 Uiso 1 1 calc GR . . . .
H32C H -0.0490 0.7772 0.1819 0.052 Uiso 1 1 calc GR . . . .
C2 C 0.68703(17) 0.57122(14) 0.20680(9) 0.0257(3) Uani 1 1 d . . . . .
H2 H 0.7843 0.5280 0.2132 0.031 Uiso 1 1 calc R . . . .
C3 C 0.65738(18) 0.67164(14) 0.16424(9) 0.0267(3) Uani 1 1 d . . . . .
H3 H 0.7299 0.7131 0.1346 0.032 Uiso 1 1 calc R . . . .
C5 C 0.36307(17) 0.91307(13) 0.15739(8) 0.0215(3) Uani 1 1 d . . . . .
C6 C 0.30121(18) 1.00377(14) 0.11106(9) 0.0254(3) Uani 1 1 d . . . . .
H6 H 0.2566 1.0825 0.1300 0.031 Uiso 1 1 calc R . . . .
C7 C 0.30292(18) 0.98245(15) 0.03809(9) 0.0272(3) Uani 1 1 d . . . . .
C8 C 0.37055(19) 0.86738(15) 0.01089(8) 0.0279(3) Uani 1 1 d . . . . .
H8 H 0.3721 0.8520 -0.0389 0.034 Uiso 1 1 calc R . . . .
C9 C 0.43589(18) 0.77436(13) 0.05414(8) 0.0238(3) Uani 1 1 d . . . . .
C10 C 0.5176(2) 0.65361(15) 0.02108(10) 0.0350(4) Uani 1 1 d . . . . .
H10A H 0.6261 0.6541 0.0046 0.052 Uiso 1 1 calc GR . . . .
H10B H 0.4752 0.6399 -0.0211 0.052 Uiso 1 1 calc GR . . . .
H10C H 0.5044 0.5883 0.0582 0.052 Uiso 1 1 calc GR . . . .
C11 C 0.3590(2) 0.93759(16) 0.23625(9) 0.0320(4) Uani 1 1 d . . . . .
H11A H 0.2923 0.8901 0.2688 0.048 Uiso 1 1 calc GR . . . .
H11B H 0.3200 1.0245 0.2453 0.048 Uiso 1 1 calc GR . . . .
H11C H 0.4619 0.9142 0.2462 0.048 Uiso 1 1 calc GR . . . .
C15 C 0.48659(19) 0.23602(14) 0.30779(9) 0.0272(3) Uani 1 1 d . . . . .
H15 H 0.4607 0.1669 0.2908 0.033 Uiso 1 1 calc R . . . .
C14 C 0.49806(17) 0.33631(14) 0.26027(8) 0.0235(3) Uani 1 1 d . . . . .
C21 C 0.4765(2) 0.33459(16) 0.18230(9) 0.0316(4) Uani 1 1 d . . . . .
H21A H 0.3771 0.3843 0.1782 0.047 Uiso 1 1 calc GR . . . .
H21B H 0.4814 0.2506 0.1693 0.047 Uiso 1 1 calc GR . . . .
H21C H 0.5569 0.3677 0.1487 0.047 Uiso 1 1 calc GR . . . .
C20 C 0.6040(2) 0.54627(14) 0.38564(9) 0.0309(4) Uani 1 1 d . . . . .
H20A H 0.7083 0.5513 0.3612 0.046 Uiso 1 1 calc GR . . . .
H20B H 0.5972 0.5374 0.4390 0.046 Uiso 1 1 calc GR . . . .
H20C H 0.5340 0.6207 0.3745 0.046 Uiso 1 1 calc GR . . . .
C23 C 0.03271(19) 0.40587(15) 0.25453(10) 0.0306(3) Uani 1 1 d . . . . .
C24 C -0.0261(2) 0.31768(15) 0.22727(11) 0.0360(4) Uani 1 1 d . . . . .
H24 H -0.0647 0.2581 0.2604 0.043 Uiso 1 1 calc R . . . .
C31 C 0.0347(3) 0.40207(19) 0.33566(11) 0.0453(5) Uani 1 1 d . . . . .
H31A H 0.1396 0.3755 0.3426 0.068 Uiso 1 1 calc GR . . . .
H31B H -0.0270 0.3448 0.3615 0.068 Uiso 1 1 calc GR . . . .
H31C H -0.0074 0.4835 0.3556 0.068 Uiso 1 1 calc GR . . . .
C30 C 0.1437(2) 0.58683(18) 0.07778(10) 0.0388(4) Uani 1 1 d . . . . .
H30A H 0.1927 0.5485 0.0305 0.058 Uiso 1 1 calc GR . . . .
H30B H 0.2174 0.6214 0.0965 0.058 Uiso 1 1 calc GR . . . .
H30C H 0.0577 0.6518 0.0708 0.058 Uiso 1 1 calc GR . . . .


_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
Si1 Mg1 3.1201(7) . ?
Si1 C33 1.8777(18) . ?
Si1 C34 1.8745(17) . ?
Si1 N3 1.7034(13) . ?
Si1 C32 1.8839(17) . ?
Si2 Mg1 3.2553(7) . ?
Si2 N3 1.7055(13) . ?
Si2 C35 1.876(2) . ?
Si2 C36 1.879(2) . ?
Si2 C37 1.8785(18) . ?
Mg1 C22 2.1552(16) . ?
Mg1 C1 2.2398(15) . ?
Mg1 N3 1.9993(14) . ?
N2 C1 1.3645(17) . ?
N2 C13 1.4463(18) . ?
N2 C2 1.385(2) . ?
N1 C4 1.4401(17) . ?
N1 C1 1.3661(18) . ?
N1 C3 1.3851(19) . ?
C4 C5 1.397(2) . ?
C4 C9 1.399(2) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C12 C7 1.506(2) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C28 C26 1.516(2) . ?
C26 C27 1.392(3) . ?
C26 C24 1.383(3) . ?
C27 H27 0.9500 . ?
C27 C29 1.405(2) . ?
C29 C22 1.414(2) . ?
C29 C30 1.509(2) . ?
C22 C23 1.419(2) . ?
C13 C19 1.3960(19) . ?
C13 C14 1.400(2) . ?
C19 C18 1.389(2) . ?
C19 C20 1.507(2) . ?
C18 H18 0.9500 . ?
C18 C16 1.388(2) . ?
C16 C17 1.507(2) . ?
C16 C15 1.390(2) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 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 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C2 H2 0.9500 . ?
C2 C3 1.345(2) . ?
C3 H3 0.9500 . ?
C5 C6 1.394(2) . ?
C5 C11 1.501(2) . ?
C6 H6 0.9500 . ?
C6 C7 1.390(2) . ?
C7 C8 1.389(2) . ?
C8 H8 0.9500 . ?
C8 C9 1.386(2) . ?
C9 C10 1.507(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 . ?
C15 H15 0.9500 . ?
C15 C14 1.390(2) . ?
C14 C21 1.506(2) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C23 C24 1.395(2) . ?
C23 C31 1.509(3) . ?
C24 H24 0.9500 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 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
C33 Si1 Mg1 115.87(6) . . ?
C33 Si1 C32 104.52(8) . . ?
C34 Si1 Mg1 135.37(6) . . ?
C34 Si1 C33 106.58(8) . . ?
C34 Si1 C32 107.91(8) . . ?
N3 Si1 Mg1 35.63(4) . . ?
N3 Si1 C33 114.38(8) . . ?
N3 Si1 C34 113.56(7) . . ?
N3 Si1 C32 109.32(7) . . ?
C32 Si1 Mg1 74.93(6) . . ?
N3 Si2 Mg1 31.09(4) . . ?
N3 Si2 C35 113.75(8) . . ?
N3 Si2 C36 113.42(8) . . ?
N3 Si2 C37 110.79(7) . . ?
C35 Si2 Mg1 135.53(8) . . ?
C35 Si2 C36 106.25(10) . . ?
C35 Si2 C37 105.86(9) . . ?
C36 Si2 Mg1 113.54(7) . . ?
C37 Si2 Mg1 81.77(6) . . ?
C37 Si2 C36 106.19(9) . . ?
Si1 Mg1 Si2 55.876(14) . . ?
C22 Mg1 Si1 110.86(4) . . ?
C22 Mg1 Si2 133.35(5) . . ?
C22 Mg1 C1 115.92(6) . . ?
C1 Mg1 Si1 126.04(4) . . ?
C1 Mg1 Si2 103.82(4) . . ?
N3 Mg1 Si1 29.76(4) . . ?
N3 Mg1 Si2 26.14(4) . . ?
N3 Mg1 C22 127.67(6) . . ?
N3 Mg1 C1 116.41(6) . . ?
C1 N2 C13 125.08(12) . . ?
C1 N2 C2 112.22(12) . . ?
C2 N2 C13 122.67(12) . . ?
C1 N1 C4 125.60(12) . . ?
C1 N1 C3 111.84(12) . . ?
C3 N1 C4 122.13(12) . . ?
C5 C4 N1 120.08(12) . . ?
C5 C4 C9 122.12(13) . . ?
C9 C4 N1 117.67(13) . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C7 C12 H12A 109.5 . . ?
C7 C12 H12B 109.5 . . ?
C7 C12 H12C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
C27 C26 C28 121.38(18) . . ?
C24 C26 C28 120.79(18) . . ?
C24 C26 C27 117.82(15) . . ?
C26 C27 H27 119.4 . . ?
C26 C27 C29 121.25(16) . . ?
C29 C27 H27 119.4 . . ?
C27 C29 C22 121.64(15) . . ?
C27 C29 C30 117.78(15) . . ?
C22 C29 C30 120.57(14) . . ?
C29 C22 Mg1 125.69(12) . . ?
C29 C22 C23 115.80(14) . . ?
C23 C22 Mg1 118.51(11) . . ?
N2 C1 Mg1 128.40(10) . . ?
N2 C1 N1 102.83(12) . . ?
N1 C1 Mg1 128.75(10) . . ?
C19 C13 N2 118.91(12) . . ?
C19 C13 C14 121.94(13) . . ?
C14 C13 N2 119.07(12) . . ?
C13 C19 C20 121.24(13) . . ?
C18 C19 C13 117.96(13) . . ?
C18 C19 C20 120.80(13) . . ?
C19 C18 H18 118.9 . . ?
C16 C18 C19 122.17(14) . . ?
C16 C18 H18 118.9 . . ?
C18 C16 C17 120.61(14) . . ?
C18 C16 C15 117.95(14) . . ?
C15 C16 C17 121.43(15) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si1 C33 H33A 109.5 . . ?
Si1 C33 H33B 109.5 . . ?
Si1 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si1 C34 H34A 109.5 . . ?
Si1 C34 H34B 109.5 . . ?
Si1 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si1 N3 Si2 122.55(8) . . ?
Si1 N3 Mg1 114.61(7) . . ?
Si2 N3 Mg1 122.77(7) . . ?
Si2 C35 H35A 109.5 . . ?
Si2 C35 H35B 109.5 . . ?
Si2 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si2 C36 H36A 109.5 . . ?
Si2 C36 H36B 109.5 . . ?
Si2 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si2 C37 H37A 109.5 . . ?
Si2 C37 H37B 109.5 . . ?
Si2 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si1 C32 H32A 109.5 . . ?
Si1 C32 H32B 109.5 . . ?
Si1 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N2 C2 H2 126.9 . . ?
C3 C2 N2 106.29(13) . . ?
C3 C2 H2 126.9 . . ?
N1 C3 H3 126.6 . . ?
C2 C3 N1 106.81(14) . . ?
C2 C3 H3 126.6 . . ?
C4 C5 C11 121.22(13) . . ?
C6 C5 C4 117.60(13) . . ?
C6 C5 C11 121.18(14) . . ?
C5 C6 H6 119.0 . . ?
C7 C6 C5 121.96(14) . . ?
C7 C6 H6 119.0 . . ?
C6 C7 C12 121.73(16) . . ?
C6 C7 C8 118.40(14) . . ?
C8 C7 C12 119.86(15) . . ?
C7 C8 H8 119.0 . . ?
C9 C8 C7 122.08(14) . . ?
C9 C8 H8 119.0 . . ?
C4 C9 C10 121.79(14) . . ?
C8 C9 C4 117.80(14) . . ?
C8 C9 C10 120.35(14) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C5 C11 H11A 109.5 . . ?
C5 C11 H11B 109.5 . . ?
C5 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C16 C15 H15 118.7 . . ?
C14 C15 C16 122.52(14) . . ?
C14 C15 H15 118.7 . . ?
C13 C14 C21 121.51(14) . . ?
C15 C14 C13 117.41(13) . . ?
C15 C14 C21 121.08(14) . . ?
C14 C21 H21A 109.5 . . ?
C14 C21 H21B 109.5 . . ?
C14 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C23 C31 119.74(15) . . ?
C24 C23 C22 121.60(16) . . ?
C24 C23 C31 118.66(16) . . ?
C26 C24 C23 121.87(17) . . ?
C26 C24 H24 119.1 . . ?
C23 C24 H24 119.1 . . ?
C23 C31 H31A 109.5 . . ?
C23 C31 H31B 109.5 . . ?
C23 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 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
Mg1 Si1 N3 Si2 -176.93(15) . . . . ?
Mg1 Si2 N3 Si1 176.67(16) . . . . ?
Mg1 C22 C23 C24 179.88(13) . . . . ?
Mg1 C22 C23 C31 -0.8(2) . . . . ?
N2 C13 C19 C18 -178.46(14) . . . . ?
N2 C13 C19 C20 1.3(2) . . . . ?
N2 C13 C14 C15 179.33(13) . . . . ?
N2 C13 C14 C21 0.4(2) . . . . ?
N2 C2 C3 N1 0.16(17) . . . . ?
N1 C4 C5 C6 177.01(13) . . . . ?
N1 C4 C5 C11 -3.2(2) . . . . ?
N1 C4 C9 C8 -178.07(13) . . . . ?
N1 C4 C9 C10 -0.7(2) . . . . ?
C4 N1 C1 Mg1 -9.2(2) . . . . ?
C4 N1 C1 N2 172.42(12) . . . . ?
C4 N1 C3 C2 -172.89(13) . . . . ?
C4 C5 C6 C7 0.3(2) . . . . ?
C12 C7 C8 C9 179.12(16) . . . . ?
C28 C26 C27 C29 177.69(16) . . . . ?
C28 C26 C24 C23 -178.41(17) . . . . ?
C26 C27 C29 C22 1.4(3) . . . . ?
C26 C27 C29 C30 -177.85(16) . . . . ?
C27 C26 C24 C23 0.7(3) . . . . ?
C27 C29 C22 Mg1 179.40(12) . . . . ?
C27 C29 C22 C23 -0.5(2) . . . . ?
C29 C22 C23 C24 -0.2(2) . . . . ?
C29 C22 C23 C31 179.10(16) . . . . ?
C22 C23 C24 C26 0.1(3) . . . . ?
C1 N2 C13 C19 -109.37(16) . . . . ?
C1 N2 C13 C14 73.89(18) . . . . ?
C1 N2 C2 C3 -0.31(17) . . . . ?
C1 N1 C4 C5 86.49(18) . . . . ?
C1 N1 C4 C9 -97.59(17) . . . . ?
C1 N1 C3 C2 0.03(18) . . . . ?
C13 N2 C1 Mg1 3.93(19) . . . . ?
C13 N2 C1 N1 -177.65(12) . . . . ?
C13 N2 C2 C3 177.71(13) . . . . ?
C13 C19 C18 C16 -0.4(2) . . . . ?
C19 C13 C14 C15 2.7(2) . . . . ?
C19 C13 C14 C21 -176.27(15) . . . . ?
C19 C18 C16 C17 -179.39(15) . . . . ?
C19 C18 C16 C15 1.6(2) . . . . ?
C18 C16 C15 C14 -0.6(2) . . . . ?
C16 C15 C14 C13 -1.4(2) . . . . ?
C16 C15 C14 C21 177.53(15) . . . . ?
C17 C16 C15 C14 -179.66(16) . . . . ?
C33 Si1 N3 Si2 -75.97(11) . . . . ?
C33 Si1 N3 Mg1 100.95(9) . . . . ?
C34 Si1 N3 Si2 46.68(12) . . . . ?
C34 Si1 N3 Mg1 -136.40(9) . . . . ?
C35 Si2 N3 Si1 35.41(13) . . . . ?
C35 Si2 N3 Mg1 -141.26(10) . . . . ?
C36 Si2 N3 Si1 -86.17(12) . . . . ?
C36 Si2 N3 Mg1 97.15(11) . . . . ?
C37 Si2 N3 Si1 154.52(10) . . . . ?
C37 Si2 N3 Mg1 -22.16(12) . . . . ?
C32 Si1 N3 Si2 167.25(9) . . . . ?
C32 Si1 N3 Mg1 -15.83(10) . . . . ?
C2 N2 C1 Mg1 -178.10(10) . . . . ?
C2 N2 C1 N1 0.32(15) . . . . ?
C2 N2 C13 C19 72.86(19) . . . . ?
C2 N2 C13 C14 -103.87(16) . . . . ?
C3 N1 C4 C5 -101.59(17) . . . . ?
C3 N1 C4 C9 74.33(18) . . . . ?
C3 N1 C1 Mg1 178.20(10) . . . . ?
C3 N1 C1 N2 -0.21(15) . . . . ?
C5 C4 C9 C8 -2.2(2) . . . . ?
C5 C4 C9 C10 175.12(15) . . . . ?
C5 C6 C7 C12 179.87(16) . . . . ?
C5 C6 C7 C8 -0.9(2) . . . . ?
C6 C7 C8 C9 -0.1(2) . . . . ?
C7 C8 C9 C4 1.6(2) . . . . ?
C7 C8 C9 C10 -175.75(16) . . . . ?
C9 C4 C5 C6 1.3(2) . . . . ?
C9 C4 C5 C11 -178.90(15) . . . . ?
C11 C5 C6 C7 -179.49(15) . . . . ?
C14 C13 C19 C18 -1.8(2) . . . . ?
C14 C13 C19 C20 177.99(15) . . . . ?
C20 C19 C18 C16 179.81(15) . . . . ?
C24 C26 C27 C29 -1.4(3) . . . . ?
C31 C23 C24 C26 -179.19(17) . . . . ?
C30 C29 C22 Mg1 -1.4(2) . . . . ?
C30 C29 C22 C23 178.66(15) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_retry
_database_code_depnum_ccdc_archive 'CCDC 1517518'
_audit_update_record             
;
2017-03-24 deposited with the CCDC.
2017-03-28 downloaded from the CCDC.
;
_audit_creation_date             2017-03-22
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.02 svn.r3394 for OlexSys, GUI svn.r5324)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C35 H51 Mg N3 Si2, C7 H8'
_chemical_formula_sum            'C42 H59 Mg N3 Si2'
_chemical_formula_weight         686.41
_chemical_melting_point          ?
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'
Mg Mg 0.0486 0.0363 '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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.4770(4)
_cell_length_b                   12.9087(6)
_cell_length_c                   18.2858(8)
_cell_angle_alpha                72.347(3)
_cell_angle_beta                 76.154(3)
_cell_angle_gamma                89.454(3)
_cell_volume                     2064.92(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8712
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.05
_cell_measurement_theta_min      3.69
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.132
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.5830
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.0840 before and 0.0484 after correction.
The Ratio of minimum to maximum transmission is 0.7815.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.104
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0443
_diffrn_reflns_av_unetI/netI     0.0567
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            31544
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.113
_diffrn_reflns_theta_min         3.685
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8156
_reflns_number_total             11856
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2008)'
_refine_diff_density_max         0.387
_refine_diff_density_min         -0.505
_refine_diff_density_rms         0.056
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     576
_refine_ls_number_reflns         11856
_refine_ls_number_restraints     369
_refine_ls_R_factor_all          0.0836
_refine_ls_R_factor_gt           0.0500
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0620P)²+0.8207P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1242
_refine_ls_wR_factor_ref         0.1436
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C1A-C1B
 1.51 with sigma of 0.02
 C1H-C1I
 1.51 with sigma of 0.02
 C1O-C1P
 1.51 with sigma of 0.02
 C1B-C1C \\sim C1C-C1D \\sim C1D-C1E \\sim C1E-C1F \\sim C1F-C1G \\sim C1G-C1B
 with sigma of 0.02
 C1B-C1F \\sim C1B-C1D \\sim C1G-C1E \\sim C1C-C1G \\sim C1D-C1F \\sim C1C-C1E
 with sigma of 0.04
 C1A-C1G \\sim C1A-C1C
 with sigma of 0.04
 C1I-C1J \\sim C1J-C1K \\sim C1K-C1L \\sim C1L-C1M \\sim C1M-C1N \\sim C1N-C1I
 with sigma of 0.02
 C1I-C1M \\sim C1I-C1K \\sim C1N-C1L \\sim C1J-C1N \\sim C1K-C1M \\sim C1J-C1L
 with sigma of 0.04
 C1H-C1N \\sim C1H-C1J
 with sigma of 0.04
 C1P-C1Q \\sim C1Q-C1R \\sim C1R-C1S \\sim C1S-C1T \\sim C1T-C1U \\sim C1U-C1P
 with sigma of 0.02
 C1P-C1T \\sim C1P-C1R \\sim C1U-C1S \\sim C1Q-C1U \\sim C1R-C1T \\sim C1Q-C1S
 with sigma of 0.04
 C1O-C1U \\sim C1O-C1Q
 with sigma of 0.04
3. Restrained planarity
 C1A, C1B, C1C, C1D, C1E, C1F, C1G
 with sigma of 0.1
 C1H, C1I, C1J, C1K, C1L, C1M, C1N
 with sigma of 0.1
 C1O, C1P, C1Q, C1R, C1S, C1T, C1U
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
C1A \\sim C1B \\sim C1C \\sim C1D \\sim C1E \\sim C1F \\sim C1G: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08
C1H \\sim C1I \\sim C1J \\sim C1K \\sim C1L \\sim C1M \\sim C1N: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08
C1O \\sim C1P \\sim C1Q \\sim C1R \\sim C1S \\sim C1T \\sim C1U: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08
5. Rigid body (RIGU) restrains
 C1A, C1B, C1C, C1D, C1E, C1F, C1G
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C1H, C1I, C1J, C1K, C1L, C1M, C1N
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C1O, C1P, C1Q, C1R, C1S, C1T, C1U
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C1G, C1A, C1B, C1C, C1D, C1F, C1E
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C1N, C1H, C1I, C1J, C1K, C1M, C1L
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C1A, C1B, C1C, C1G, C1D, C1F, C1E
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Fixed Sof: C1A(0.4) H1AD(0.4) H1AE(0.4) H1AF(0.4) C1B(0.4) C1C(0.4) H1C(0.4)
 C1D(0.4) H1D(0.4) C1E(0.4) H1E(0.4) C1F(0.4) H1F(0.4) C1G(0.4) H1G(0.4)
 C1H(0.4) H1HA(0.4) H1HB(0.4) H1HC(0.4) C1I(0.4) C1J(0.4) H1J(0.4) C1K(0.4)
 H1K(0.4) C1L(0.4) H1L(0.4) C1M(0.4) H1M(0.4) C1N(0.4) H1N(0.4) C1O(0.2)
 H1OA(0.2) H1OB(0.2) H1OC(0.2) C1P(0.2) C1Q(0.2) H1Q(0.2) C1R(0.2) H1R(0.2)
 C1S(0.2) H1S(0.2) C1T(0.2) H1T(0.2) C1U(0.2) H1U(0.2)
7.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C24(H24), C23(H23), C6(H6), C25(H25), C18(H18), C16(H16),
 C10(H10), C1C(H1C), C1D(H1D), C1E(H1E), C1F(H1F), C1G(H1G), C1J(H1J), C1K(H1K),
  C1L(H1L), C1M(H1M), C1N(H1N), C1Q(H1Q), C1R(H1R), C1S(H1S), C1T(H1T), C1U(H1U)
7.b Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C30(H30A,H30B,
 H30C), C29(H29A,H29B,H29C), C32(H32A,H32B,H32C), C31(H31A,H31B,H31C), C33(H33A,
 H33B,H33C), C15(H15A,H15B,H15C), C2AA(H2AA,H2AB,H2AC), C20(H20A,H20B,H20C),
 C8(H8A,H8B,H8C), C12(H12A,H12B,H12C), C1AA(H1AA,H1AB,H1AC), C1A(H1AD,H1AE,
 H1AF), C1H(H1HA,H1HB,H1HC), C1O(H1OA,H1OB,H1OC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Mg1 Mg 0.36539(6) 0.65471(4) 0.19949(3) 0.02055(12) Uani 1 1 d . . . . .
Si2 Si 0.43269(5) 0.39858(4) 0.28314(3) 0.02471(11) Uani 1 1 d . . . . .
Si1 Si 0.15712(5) 0.49403(4) 0.34281(3) 0.02581(12) Uani 1 1 d . . . . .
N2 N 0.68043(15) 0.78465(12) 0.14727(8) 0.0228(3) Uani 1 1 d . . . . .
C1 C 0.54912(18) 0.76068(13) 0.20147(9) 0.0210(3) Uani 1 1 d . . . . .
C4 C 0.44725(18) 0.82795(14) 0.31630(9) 0.0224(3) Uani 1 1 d . . . . .
C2 C 0.6954(2) 0.87586(16) 0.22821(11) 0.0315(4) Uani 1 1 d . . . . .
H2 H 0.7281 0.9213 0.2540 0.038 Uiso 1 1 calc R . . . .
C3 C 0.7709(2) 0.85425(16) 0.16277(11) 0.0313(4) Uani 1 1 d . . . . .
H3 H 0.8671 0.8814 0.1331 0.038 Uiso 1 1 calc R . . . .
C13 C 0.72597(18) 0.74258(13) 0.08137(9) 0.0219(3) Uani 1 1 d . . . . .
C14 C 0.68797(18) 0.79432(13) 0.01052(9) 0.0230(3) Uani 1 1 d . . . . .
C24 C 0.1600(2) 0.83379(19) -0.03145(11) 0.0413(5) Uani 1 1 d . . . . .
H24 H 0.1239 0.8674 -0.0766 0.050 Uiso 1 1 calc R . . . .
C23 C 0.1403(2) 0.87896(16) 0.02931(11) 0.0326(4) Uani 1 1 d . . . . .
H23 H 0.0919 0.9444 0.0255 0.039 Uiso 1 1 calc R . . . .
C22 C 0.19139(18) 0.82886(14) 0.09676(9) 0.0246(3) Uani 1 1 d . . . . .
C21 C 0.26613(18) 0.73244(13) 0.10415(9) 0.0225(3) Uani 1 1 d . . . . .
N1 N 0.56123(15) 0.81917(12) 0.25070(8) 0.0231(3) Uani 1 1 d . . . . .
C5 C 0.37793(19) 0.92522(14) 0.30761(9) 0.0231(3) Uani 1 1 d . . . . .
C6 C 0.27203(19) 0.93431(14) 0.37237(10) 0.0251(3) Uani 1 1 d . . . . .
H6 H 0.2236 0.9999 0.3677 0.030 Uiso 1 1 calc R . . . .
C7 C 0.23503(19) 0.85040(15) 0.44366(10) 0.0263(3) Uani 1 1 d . . . . .
C9 C 0.1193(2) 0.86237(18) 0.51262(11) 0.0359(4) Uani 1 1 d . . . . .
H9A H 0.1196 0.9388 0.5113 0.054 Uiso 1 1 calc GR . . . .
H9B H 0.1393 0.8172 0.5623 0.054 Uiso 1 1 calc GR . . . .
H9C H 0.0238 0.8389 0.5091 0.054 Uiso 1 1 calc GR . . . .
C26 C 0.28610(19) 0.69023(15) 0.04001(10) 0.0268(4) Uani 1 1 d . . . . .
C27 C 0.3743(2) 0.59209(16) 0.04031(11) 0.0339(4) Uani 1 1 d . . . . .
H27A H 0.4784 0.6151 0.0239 0.051 Uiso 1 1 calc GR . . . .
H27B H 0.3506 0.5576 0.0034 0.051 Uiso 1 1 calc GR . . . .
H27C H 0.3513 0.5398 0.0938 0.051 Uiso 1 1 calc GR . . . .
C25 C 0.2321(2) 0.73984(18) -0.02624(11) 0.0371(4) Uani 1 1 d . . . . .
H25 H 0.2454 0.7084 -0.0679 0.045 Uiso 1 1 calc R . . . .
N3 N 0.32426(16) 0.50509(11) 0.27885(7) 0.0230(3) Uani 1 1 d . . . . .
C28 C 0.5557(2) 0.41004(18) 0.18356(11) 0.0388(5) Uani 1 1 d . . . . .
H28A H 0.4996 0.3904 0.1506 0.058 Uiso 1 1 calc GR . . . .
H28B H 0.6341 0.3606 0.1902 0.058 Uiso 1 1 calc GR . . . .
H28C H 0.5978 0.4851 0.1579 0.058 Uiso 1 1 calc GR . . . .
C30 C 0.3297(2) 0.26166(16) 0.31610(12) 0.0361(4) Uani 1 1 d . . . . .
H30A H 0.2659 0.2488 0.3692 0.054 Uiso 1 1 calc GR . . . .
H30B H 0.3988 0.2046 0.3172 0.054 Uiso 1 1 calc GR . . . .
H30C H 0.2707 0.2603 0.2790 0.054 Uiso 1 1 calc GR . . . .
C29 C 0.5541(2) 0.38590(16) 0.35276(11) 0.0323(4) Uani 1 1 d . . . . .
H29A H 0.6233 0.4499 0.3334 0.048 Uiso 1 1 calc GR . . . .
H29B H 0.6076 0.3201 0.3555 0.048 Uiso 1 1 calc GR . . . .
H29C H 0.4946 0.3811 0.4056 0.048 Uiso 1 1 calc GR . . . .
C32 C 0.0141(2) 0.41380(17) 0.32332(12) 0.0374(4) Uani 1 1 d . . . . .
H32A H 0.0105 0.4437 0.2678 0.056 Uiso 1 1 calc GR . . . .
H32B H -0.0809 0.4183 0.3578 0.056 Uiso 1 1 calc GR . . . .
H32C H 0.0380 0.3375 0.3343 0.056 Uiso 1 1 calc GR . . . .
C31 C 0.1585(2) 0.43135(18) 0.44978(10) 0.0392(5) Uani 1 1 d . . . . .
H31A H 0.2048 0.3620 0.4566 0.059 Uiso 1 1 calc GR . . . .
H31B H 0.0582 0.4184 0.4826 0.059 Uiso 1 1 calc GR . . . .
H31C H 0.2132 0.4809 0.4660 0.059 Uiso 1 1 calc GR . . . .
C33 C 0.0890(2) 0.63398(16) 0.33054(10) 0.0335(4) Uani 1 1 d . . . . .
H33A H 0.1611 0.6812 0.3380 0.050 Uiso 1 1 calc GR . . . .
H33B H -0.0032 0.6293 0.3700 0.050 Uiso 1 1 calc GR . . . .
H33C H 0.0736 0.6643 0.2772 0.050 Uiso 1 1 calc GR . . . .
C19 C 0.81495(19) 0.65514(15) 0.08951(10) 0.0263(3) Uani 1 1 d . . . . .
C18 C 0.8640(2) 0.61879(15) 0.02421(10) 0.0303(4) Uani 1 1 d . . . . .
H18 H 0.9232 0.5585 0.0288 0.036 Uiso 1 1 calc R . . . .
C17 C 0.8292(2) 0.66764(15) -0.04724(10) 0.0286(4) Uani 1 1 d . . . . .
C16 C 0.7415(2) 0.75499(15) -0.05314(9) 0.0270(4) Uani 1 1 d . . . . .
H16 H 0.7172 0.7890 -0.1020 0.032 Uiso 1 1 calc R . . . .
C15 C 0.5949(2) 0.89019(14) 0.00264(10) 0.0279(4) Uani 1 1 d . . . . .
H15A H 0.5013 0.8689 0.0421 0.042 Uiso 1 1 calc GR . . . .
H15B H 0.5780 0.9141 -0.0506 0.042 Uiso 1 1 calc GR . . . .
H15C H 0.6447 0.9500 0.0113 0.042 Uiso 1 1 calc GR . . . .
C2AA C 0.8906(2) 0.62801(18) -0.11751(11) 0.0391(5) Uani 1 1 d . . . . .
H2AA H 0.9939 0.6527 -0.1392 0.059 Uiso 1 1 calc GR . . . .
H2AB H 0.8373 0.6574 -0.1583 0.059 Uiso 1 1 calc GR . . . .
H2AC H 0.8805 0.5482 -0.1006 0.059 Uiso 1 1 calc GR . . . .
C20 C 0.8622(2) 0.60345(17) 0.16468(11) 0.0361(4) Uani 1 1 d . . . . .
H20A H 0.9558 0.6386 0.1613 0.054 Uiso 1 1 calc GR . . . .
H20B H 0.8728 0.5256 0.1718 0.054 Uiso 1 1 calc GR . . . .
H20C H 0.7889 0.6124 0.2098 0.054 Uiso 1 1 calc GR . . . .
C8 C 0.4192(2) 1.01942(15) 0.23165(10) 0.0299(4) Uani 1 1 d . . . . .
H8A H 0.5059 1.0607 0.2310 0.045 Uiso 1 1 calc GR . . . .
H8B H 0.3384 1.0672 0.2284 0.045 Uiso 1 1 calc GR . . . .
H8C H 0.4399 0.9914 0.1863 0.045 Uiso 1 1 calc GR . . . .
C10 C 0.3082(2) 0.75535(14) 0.45030(9) 0.0273(4) Uani 1 1 d . . . . .
H10 H 0.2838 0.6976 0.4989 0.033 Uiso 1 1 calc R . . . .
C11 C 0.4159(2) 0.74250(14) 0.38772(9) 0.0255(3) Uani 1 1 d . . . . .
C12 C 0.4981(2) 0.64078(15) 0.39689(11) 0.0349(4) Uani 1 1 d . . . . .
H12A H 0.4698 0.5986 0.3656 0.052 Uiso 1 1 calc GR . . . .
H12B H 0.4750 0.5967 0.4528 0.052 Uiso 1 1 calc GR . . . .
H12C H 0.6030 0.6608 0.3782 0.052 Uiso 1 1 calc GR . . . .
C1AA C 0.1638(2) 0.88201(15) 0.16153(11) 0.0301(4) Uani 1 1 d . . . . .
H1AA H 0.1624 0.9610 0.1381 0.045 Uiso 1 1 calc GR . . . .
H1AB H 0.2414 0.8664 0.1896 0.045 Uiso 1 1 calc GR . . . .
H1AC H 0.0697 0.8532 0.1988 0.045 Uiso 1 1 calc GR . . . .
C1A C 0.6329(8) -0.1096(6) 0.4741(4) 0.0521(17) Uani 0.4 1 d D U P A 2
H1AD H 0.6534 -0.0912 0.5189 0.078 Uiso 0.4 1 calc GR . P A 2
H1AE H 0.6500 -0.1864 0.4799 0.078 Uiso 0.4 1 calc GR . P A 2
H1AF H 0.5312 -0.0974 0.4730 0.078 Uiso 0.4 1 calc GR . P A 2
C1B C 0.7307(6) -0.0395(4) 0.3986(3) 0.0313(9) Uani 0.4 1 d D U P A 2
C1C C 0.6860(15) 0.0569(10) 0.3547(8) 0.034(3) Uani 0.4 1 d D U P A 2
H1C H 0.5908 0.0781 0.3726 0.040 Uiso 0.4 1 calc R . P A 2
C1D C 0.7769(8) 0.1228(5) 0.2857(4) 0.0486(14) Uani 0.4 1 d D U P A 2
H1D H 0.7435 0.1885 0.2568 0.058 Uiso 0.4 1 calc R . P A 2
C1E C 0.9134(8) 0.0950(7) 0.2584(4) 0.0546(16) Uani 0.4 1 d D U P A 2
H1E H 0.9760 0.1412 0.2112 0.065 Uiso 0.4 1 calc R . P A 2
C1F C 0.9592(7) -0.0002(6) 0.2998(4) 0.0457(15) Uani 0.4 1 d D U P A 2
H1F H 1.0541 -0.0208 0.2806 0.055 Uiso 0.4 1 calc R . P A 2
C1G C 0.8698(11) -0.0674(9) 0.3693(7) 0.036(2) Uani 0.4 1 d D U P A 2
H1G H 0.9040 -0.1335 0.3972 0.044 Uiso 0.4 1 calc R . P A 2
C1H C 0.8721(11) 0.1635(6) 0.2586(4) 0.066(2) Uani 0.4 1 d D U P B 1
H1HA H 0.8026 0.1844 0.2255 0.099 Uiso 0.4 1 calc GR . P B 1
H1HB H 0.9680 0.1579 0.2254 0.099 Uiso 0.4 1 calc GR . P B 1
H1HC H 0.8794 0.2189 0.2844 0.099 Uiso 0.4 1 calc GR . P B 1
C1I C 0.8211(9) 0.0562(5) 0.3200(3) 0.0313(14) Uani 0.4 1 d D U P B 1
C1J C 0.6767(13) 0.0427(10) 0.3657(8) 0.030(2) Uani 0.4 1 d D U P B 1
H1J H 0.6163 0.1021 0.3574 0.036 Uiso 0.4 1 calc R . P B 1
C1K C 0.6202(7) -0.0551(6) 0.4227(4) 0.0311(14) Uani 0.4 1 d D U P B 1
H1K H 0.5211 -0.0636 0.4516 0.037 Uiso 0.4 1 calc R . P B 1
C1L C 0.7107(9) -0.1411(5) 0.4370(4) 0.0365(13) Uani 0.4 1 d D U P B 1
H1L H 0.6742 -0.2080 0.4770 0.044 Uiso 0.4 1 calc R . P B 1
C1M C 0.8517(8) -0.1290(6) 0.3936(4) 0.0368(13) Uani 0.4 1 d D U P B 1
H1M H 0.9121 -0.1883 0.4032 0.044 Uiso 0.4 1 calc R . P B 1
C1N C 0.9089(9) -0.0311(7) 0.3353(5) 0.0332(15) Uani 0.4 1 d D U P B 1
H1N H 1.0077 -0.0239 0.3060 0.040 Uiso 0.4 1 calc R . P B 1
C1O C 0.988(2) 0.1053(15) 0.2556(8) 0.072(5) Uani 0.2 1 d D U P C 3
H1OA H 1.0183 0.1638 0.2735 0.108 Uiso 0.2 1 calc GR . P C 3
H1OB H 0.9523 0.1369 0.2080 0.108 Uiso 0.2 1 calc GR . P C 3
H1OC H 1.0708 0.0622 0.2435 0.108 Uiso 0.2 1 calc GR . P C 3
C1P C 0.8719(16) 0.0354(12) 0.3178(7) 0.038(3) Uani 0.2 1 d D U P C 3
C1Q C 0.893(2) -0.0692(15) 0.3591(13) 0.037(5) Uani 0.2 1 d D U P C 3
H1Q H 0.9850 -0.0986 0.3471 0.044 Uiso 0.2 1 calc R . P C 3
C1R C 0.7790(18) -0.1315(12) 0.4183(8) 0.041(3) Uani 0.2 1 d D U P C 3
H1R H 0.7917 -0.2041 0.4473 0.049 Uiso 0.2 1 calc R . P C 3
C1S C 0.6470(18) -0.0871(16) 0.4349(11) 0.048(4) Uani 0.2 1 d D U P C 3
H1S H 0.5690 -0.1287 0.4765 0.058 Uiso 0.2 1 calc R . P C 3
C1T C 0.6276(16) 0.0167(15) 0.3916(10) 0.048(3) Uani 0.2 1 d D U P C 3
H1T H 0.5350 0.0455 0.4026 0.058 Uiso 0.2 1 calc R . P C 3
C1U C 0.7392(18) 0.0798(14) 0.3328(10) 0.046(3) Uani 0.2 1 d D U P C 3
H1U H 0.7255 0.1520 0.3032 0.055 Uiso 0.2 1 calc R . P C 3


_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 C1 2.2382(18) . ?
Mg1 C21 2.1533(16) . ?
Mg1 N3 2.0080(14) . ?
Si2 N3 1.7026(14) . ?
Si2 C28 1.8765(19) . ?
Si2 C30 1.883(2) . ?
Si2 C29 1.8819(19) . ?
Si1 N3 1.7069(15) . ?
Si1 C32 1.875(2) . ?
Si1 C31 1.8796(18) . ?
Si1 C33 1.8794(19) . ?
N2 C1 1.363(2) . ?
N2 C3 1.381(2) . ?
N2 C13 1.441(2) . ?
C1 N1 1.363(2) . ?
C4 N1 1.442(2) . ?
C4 C5 1.395(2) . ?
C4 C11 1.399(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.345(2) . ?
C2 N1 1.381(2) . ?
C3 H3 0.9500 . ?
C13 C14 1.396(2) . ?
C13 C19 1.396(2) . ?
C14 C16 1.393(2) . ?
C14 C15 1.504(2) . ?
C24 H24 0.9500 . ?
C24 C23 1.379(3) . ?
C24 C25 1.376(3) . ?
C23 H23 0.9500 . ?
C23 C22 1.403(2) . ?
C22 C21 1.413(2) . ?
C22 C1AA 1.511(2) . ?
C21 C26 1.410(2) . ?
C5 C6 1.392(2) . ?
C5 C8 1.512(2) . ?
C6 H6 0.9500 . ?
C6 C7 1.388(2) . ?
C7 C9 1.507(2) . ?
C7 C10 1.391(2) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C26 C27 1.511(3) . ?
C26 C25 1.400(2) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C25 H25 0.9500 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C19 C18 1.390(2) . ?
C19 C20 1.506(2) . ?
C18 H18 0.9500 . ?
C18 C17 1.384(2) . ?
C17 C16 1.388(2) . ?
C17 C2AA 1.512(2) . ?
C16 H16 0.9500 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C2AA H2AA 0.9800 . ?
C2AA H2AB 0.9800 . ?
C2AA H2AC 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C10 H10 0.9500 . ?
C10 C11 1.390(2) . ?
C11 C12 1.506(2) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C1AA H1AA 0.9800 . ?
C1AA H1AB 0.9800 . ?
C1AA H1AC 0.9800 . ?
C1A H1AD 0.9800 . ?
C1A H1AE 0.9800 . ?
C1A H1AF 0.9800 . ?
C1A C1B 1.493(8) . ?
C1B C1C 1.386(10) . ?
C1B C1G 1.387(9) . ?
C1C H1C 0.9500 . ?
C1C C1D 1.379(10) . ?
C1D H1D 0.9500 . ?
C1D C1E 1.357(9) . ?
C1E H1E 0.9500 . ?
C1E C1F 1.361(9) . ?
C1F H1F 0.9500 . ?
C1F C1G 1.385(9) . ?
C1G H1G 0.9500 . ?
C1H H1HA 0.9800 . ?
C1H H1HB 0.9800 . ?
C1H H1HC 0.9800 . ?
C1H C1I 1.491(8) . ?
C1I C1J 1.404(11) . ?
C1I C1N 1.394(9) . ?
C1J H1J 0.9500 . ?
C1J C1K 1.383(10) . ?
C1K H1K 0.9500 . ?
C1K C1L 1.397(8) . ?
C1L H1L 0.9500 . ?
C1L C1M 1.364(8) . ?
C1M H1M 0.9500 . ?
C1M C1N 1.395(8) . ?
C1N H1N 0.9500 . ?
C1O H1OA 0.9800 . ?
C1O H1OB 0.9800 . ?
C1O H1OC 0.9800 . ?
C1O C1P 1.453(15) . ?
C1P C1Q 1.373(14) . ?
C1P C1U 1.379(13) . ?
C1Q H1Q 0.9500 . ?
C1Q C1R 1.385(13) . ?
C1R H1R 0.9500 . ?
C1R C1S 1.376(14) . ?
C1S H1S 0.9500 . ?
C1S C1T 1.370(14) . ?
C1T H1T 0.9500 . ?
C1T C1U 1.371(13) . ?
C1U H1U 0.9500 . ?

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
C21 Mg1 C1 111.55(6) . . ?
N3 Mg1 C1 118.19(6) . . ?
N3 Mg1 C21 130.17(7) . . ?
N3 Si2 C28 111.58(8) . . ?
N3 Si2 C30 114.04(8) . . ?
N3 Si2 C29 113.75(8) . . ?
C28 Si2 C30 105.12(10) . . ?
C28 Si2 C29 106.44(9) . . ?
C29 Si2 C30 105.18(9) . . ?
N3 Si1 C32 113.94(8) . . ?
N3 Si1 C31 113.62(8) . . ?
N3 Si1 C33 108.74(8) . . ?
C32 Si1 C31 106.96(10) . . ?
C32 Si1 C33 105.30(9) . . ?
C33 Si1 C31 107.80(9) . . ?
C1 N2 C3 112.31(13) . . ?
C1 N2 C13 125.72(14) . . ?
C3 N2 C13 121.95(14) . . ?
N2 C1 Mg1 125.37(11) . . ?
N1 C1 Mg1 131.90(12) . . ?
N1 C1 N2 102.69(14) . . ?
C5 C4 N1 118.23(14) . . ?
C5 C4 C11 122.12(15) . . ?
C11 C4 N1 119.53(14) . . ?
C3 C2 H2 126.7 . . ?
C3 C2 N1 106.69(16) . . ?
N1 C2 H2 126.7 . . ?
N2 C3 H3 126.9 . . ?
C2 C3 N2 106.26(16) . . ?
C2 C3 H3 126.9 . . ?
C14 C13 N2 119.39(14) . . ?
C19 C13 N2 118.15(14) . . ?
C19 C13 C14 122.34(14) . . ?
C13 C14 C15 121.33(14) . . ?
C16 C14 C13 117.51(15) . . ?
C16 C14 C15 121.15(15) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 H24 120.2 . . ?
C25 C24 C23 119.60(17) . . ?
C24 C23 H23 119.8 . . ?
C24 C23 C22 120.46(18) . . ?
C22 C23 H23 119.8 . . ?
C23 C22 C21 121.54(16) . . ?
C23 C22 C1AA 117.52(16) . . ?
C21 C22 C1AA 120.95(14) . . ?
C22 C21 Mg1 125.34(12) . . ?
C26 C21 Mg1 118.38(12) . . ?
C26 C21 C22 116.07(14) . . ?
C1 N1 C4 125.46(14) . . ?
C1 N1 C2 112.05(14) . . ?
C2 N1 C4 122.40(14) . . ?
C4 C5 C8 121.56(15) . . ?
C6 C5 C4 117.71(15) . . ?
C6 C5 C8 120.70(15) . . ?
C5 C6 H6 119.0 . . ?
C7 C6 C5 121.99(16) . . ?
C7 C6 H6 119.0 . . ?
C6 C7 C9 120.79(16) . . ?
C6 C7 C10 118.53(15) . . ?
C10 C7 C9 120.67(16) . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C21 C26 C27 119.56(15) . . ?
C25 C26 C21 121.81(17) . . ?
C25 C26 C27 118.56(16) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C24 C25 C26 120.50(18) . . ?
C24 C25 H25 119.7 . . ?
C26 C25 H25 119.7 . . ?
Si2 N3 Mg1 126.92(8) . . ?
Si2 N3 Si1 122.32(8) . . ?
Si1 N3 Mg1 110.72(7) . . ?
Si2 C28 H28A 109.5 . . ?
Si2 C28 H28B 109.5 . . ?
Si2 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si2 C30 H30A 109.5 . . ?
Si2 C30 H30B 109.5 . . ?
Si2 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si2 C29 H29A 109.5 . . ?
Si2 C29 H29B 109.5 . . ?
Si2 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si1 C32 H32A 109.5 . . ?
Si1 C32 H32B 109.5 . . ?
Si1 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si1 C31 H31A 109.5 . . ?
Si1 C31 H31B 109.5 . . ?
Si1 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si1 C33 H33A 109.5 . . ?
Si1 C33 H33B 109.5 . . ?
Si1 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C13 C19 C20 122.14(15) . . ?
C18 C19 C13 117.58(15) . . ?
C18 C19 C20 120.24(16) . . ?
C19 C18 H18 119.0 . . ?
C17 C18 C19 122.09(16) . . ?
C17 C18 H18 119.0 . . ?
C18 C17 C16 118.56(15) . . ?
C18 C17 C2AA 120.00(16) . . ?
C16 C17 C2AA 121.41(16) . . ?
C14 C16 H16 119.0 . . ?
C17 C16 C14 121.91(15) . . ?
C17 C16 H16 119.0 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C2AA H2AA 109.5 . . ?
C17 C2AA H2AB 109.5 . . ?
C17 C2AA H2AC 109.5 . . ?
H2AA C2AA H2AB 109.5 . . ?
H2AA C2AA H2AC 109.5 . . ?
H2AB C2AA H2AC 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C10 H10 119.1 . . ?
C11 C10 C7 121.81(15) . . ?
C11 C10 H10 119.1 . . ?
C4 C11 C12 121.06(15) . . ?
C10 C11 C4 117.81(15) . . ?
C10 C11 C12 121.13(15) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C22 C1AA H1AA 109.5 . . ?
C22 C1AA H1AB 109.5 . . ?
C22 C1AA H1AC 109.5 . . ?
H1AA C1AA H1AB 109.5 . . ?
H1AA C1AA H1AC 109.5 . . ?
H1AB C1AA H1AC 109.5 . . ?
H1AD C1A H1AE 109.5 . . ?
H1AD C1A H1AF 109.5 . . ?
H1AE C1A H1AF 109.5 . . ?
C1B C1A H1AD 109.5 . . ?
C1B C1A H1AE 109.5 . . ?
C1B C1A H1AF 109.5 . . ?
C1C C1B C1A 121.1(7) . . ?
C1C C1B C1G 117.0(7) . . ?
C1G C1B C1A 121.8(6) . . ?
C1B C1C H1C 119.4 . . ?
C1D C1C C1B 121.3(9) . . ?
C1D C1C H1C 119.4 . . ?
C1C C1D H1D 119.5 . . ?
C1E C1D C1C 120.9(8) . . ?
C1E C1D H1D 119.5 . . ?
C1D C1E H1E 120.5 . . ?
C1D C1E C1F 119.0(7) . . ?
C1F C1E H1E 120.5 . . ?
C1E C1F H1F 119.5 . . ?
C1E C1F C1G 121.1(7) . . ?
C1G C1F H1F 119.5 . . ?
C1B C1G H1G 119.6 . . ?
C1F C1G C1B 120.7(8) . . ?
C1F C1G H1G 119.6 . . ?
H1HA C1H H1HB 109.5 . . ?
H1HA C1H H1HC 109.5 . . ?
H1HB C1H H1HC 109.5 . . ?
C1I C1H H1HA 109.5 . . ?
C1I C1H H1HB 109.5 . . ?
C1I C1H H1HC 109.5 . . ?
C1J C1I C1H 118.1(8) . . ?
C1N C1I C1H 123.8(8) . . ?
C1N C1I C1J 118.0(7) . . ?
C1I C1J H1J 119.2 . . ?
C1K C1J C1I 121.6(9) . . ?
C1K C1J H1J 119.2 . . ?
C1J C1K H1K 120.5 . . ?
C1J C1K C1L 119.1(8) . . ?
C1L C1K H1K 120.5 . . ?
C1K C1L H1L 120.0 . . ?
C1M C1L C1K 120.0(6) . . ?
C1M C1L H1L 120.0 . . ?
C1L C1M H1M 119.4 . . ?
C1L C1M C1N 121.2(7) . . ?
C1N C1M H1M 119.4 . . ?
C1I C1N C1M 120.0(7) . . ?
C1I C1N H1N 120.0 . . ?
C1M C1N H1N 120.0 . . ?
H1OA C1O H1OB 109.5 . . ?
H1OA C1O H1OC 109.5 . . ?
H1OB C1O H1OC 109.5 . . ?
C1P C1O H1OA 109.5 . . ?
C1P C1O H1OB 109.5 . . ?
C1P C1O H1OC 109.5 . . ?
C1Q C1P C1O 121.8(14) . . ?
C1Q C1P C1U 121.8(13) . . ?
C1U C1P C1O 116.3(14) . . ?
C1P C1Q H1Q 120.4 . . ?
C1P C1Q C1R 119.2(13) . . ?
C1R C1Q H1Q 120.4 . . ?
C1Q C1R H1R 120.3 . . ?
C1S C1R C1Q 119.5(12) . . ?
C1S C1R H1R 120.3 . . ?
C1R C1S H1S 119.9 . . ?
C1T C1S C1R 120.2(13) . . ?
C1T C1S H1S 119.9 . . ?
C1S C1T H1T 119.4 . . ?
C1S C1T C1U 121.3(13) . . ?
C1U C1T H1T 119.4 . . ?
C1P C1U H1U 121.0 . . ?
C1T C1U C1P 118.0(13) . . ?
C1T C1U H1U 121.0 . . ?

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
Mg1 C1 N1 C4 -1.8(2) . . . . ?
Mg1 C1 N1 C2 -178.39(13) . . . . ?
Mg1 C21 C26 C27 0.6(2) . . . . ?
Mg1 C21 C26 C25 -176.33(14) . . . . ?
N2 C1 N1 C4 175.91(14) . . . . ?
N2 C1 N1 C2 -0.71(18) . . . . ?
N2 C13 C14 C16 176.26(15) . . . . ?
N2 C13 C14 C15 -2.7(2) . . . . ?
N2 C13 C19 C18 -176.90(16) . . . . ?
N2 C13 C19 C20 0.8(3) . . . . ?
C1 N2 C3 C2 -0.3(2) . . . . ?
C1 N2 C13 C14 84.9(2) . . . . ?
C1 N2 C13 C19 -99.10(19) . . . . ?
C4 C5 C6 C7 0.0(3) . . . . ?
C3 N2 C1 Mg1 178.51(12) . . . . ?
C3 N2 C1 N1 0.63(18) . . . . ?
C3 N2 C13 C14 -96.4(2) . . . . ?
C3 N2 C13 C19 79.6(2) . . . . ?
C3 C2 N1 C1 0.5(2) . . . . ?
C3 C2 N1 C4 -176.19(15) . . . . ?
C13 N2 C1 Mg1 -2.7(2) . . . . ?
C13 N2 C1 N1 179.40(14) . . . . ?
C13 N2 C3 C2 -179.16(15) . . . . ?
C13 C14 C16 C17 0.1(3) . . . . ?
C13 C19 C18 C17 1.1(3) . . . . ?
C14 C13 C19 C18 -1.1(3) . . . . ?
C14 C13 C19 C20 176.64(17) . . . . ?
C24 C23 C22 C21 1.1(3) . . . . ?
C24 C23 C22 C1AA -179.04(18) . . . . ?
C23 C24 C25 C26 -0.3(3) . . . . ?
C23 C22 C21 Mg1 174.66(13) . . . . ?
C23 C22 C21 C26 0.1(2) . . . . ?
C22 C21 C26 C27 175.57(16) . . . . ?
C22 C21 C26 C25 -1.3(3) . . . . ?
C21 C26 C25 C24 1.5(3) . . . . ?
N1 C4 C5 C6 -177.55(15) . . . . ?
N1 C4 C5 C8 0.4(2) . . . . ?
N1 C4 C11 C10 178.17(15) . . . . ?
N1 C4 C11 C12 -0.8(2) . . . . ?
N1 C2 C3 N2 -0.1(2) . . . . ?
C5 C4 N1 C1 -105.52(19) . . . . ?
C5 C4 N1 C2 70.8(2) . . . . ?
C5 C4 C11 C10 2.3(3) . . . . ?
C5 C4 C11 C12 -176.62(17) . . . . ?
C5 C6 C7 C9 -179.66(17) . . . . ?
C5 C6 C7 C10 1.0(3) . . . . ?
C6 C7 C10 C11 -0.3(3) . . . . ?
C7 C10 C11 C4 -1.3(3) . . . . ?
C7 C10 C11 C12 177.61(17) . . . . ?
C9 C7 C10 C11 -179.63(17) . . . . ?
C27 C26 C25 C24 -175.45(19) . . . . ?
C25 C24 C23 C22 -1.0(3) . . . . ?
C28 Si2 N3 Mg1 -25.39(14) . . . . ?
C28 Si2 N3 Si1 152.07(11) . . . . ?
C30 Si2 N3 Mg1 -144.31(10) . . . . ?
C30 Si2 N3 Si1 33.15(12) . . . . ?
C29 Si2 N3 Mg1 95.05(11) . . . . ?
C29 Si2 N3 Si1 -87.49(12) . . . . ?
C32 Si1 N3 Mg1 104.67(9) . . . . ?
C32 Si1 N3 Si2 -73.16(12) . . . . ?
C31 Si1 N3 Mg1 -132.48(10) . . . . ?
C31 Si1 N3 Si2 49.69(13) . . . . ?
C33 Si1 N3 Mg1 -12.43(10) . . . . ?
C33 Si1 N3 Si2 169.74(10) . . . . ?
C19 C13 C14 C16 0.5(3) . . . . ?
C19 C13 C14 C15 -178.48(17) . . . . ?
C19 C18 C17 C16 -0.6(3) . . . . ?
C19 C18 C17 C2AA 177.40(19) . . . . ?
C18 C17 C16 C14 0.0(3) . . . . ?
C15 C14 C16 C17 179.05(17) . . . . ?
C2AA C17 C16 C14 -178.01(18) . . . . ?
C20 C19 C18 C17 -176.63(19) . . . . ?
C8 C5 C6 C7 -178.02(16) . . . . ?
C11 C4 N1 C1 78.5(2) . . . . ?
C11 C4 N1 C2 -105.2(2) . . . . ?
C11 C4 C5 C6 -1.7(2) . . . . ?
C11 C4 C5 C8 176.31(16) . . . . ?
C1AA C22 C21 Mg1 -5.2(2) . . . . ?
C1AA C22 C21 C26 -179.80(16) . . . . ?
C1A C1B C1C C1D 179.0(11) . . . . ?
C1A C1B C1G C1F -179.0(9) . . . . ?
C1B C1C C1D C1E 0(2) . . . . ?
C1C C1B C1G C1F 1.0(17) . . . . ?
C1C C1D C1E C1F 0.9(14) . . . . ?
C1D C1E C1F C1G -1.0(13) . . . . ?
C1E C1F C1G C1B 0.0(17) . . . . ?
C1G C1B C1C C1D -1.0(19) . . . . ?
C1H C1I C1J C1K 178.6(10) . . . . ?
C1H C1I C1N C1M -179.6(6) . . . . ?
C1I C1J C1K C1L 2.5(18) . . . . ?
C1J C1I C1N C1M 1.2(11) . . . . ?
C1J C1K C1L C1M -1.8(12) . . . . ?
C1K C1L C1M C1N 1.0(10) . . . . ?
C1L C1M C1N C1I -0.7(10) . . . . ?
C1N C1I C1J C1K -2.2(17) . . . . ?
C1O C1P C1Q C1R 179.2(17) . . . . ?
C1O C1P C1U C1T -179.3(13) . . . . ?
C1P C1Q C1R C1S 0(3) . . . . ?
C1Q C1P C1U C1T 1(2) . . . . ?
C1Q C1R C1S C1T 2(3) . . . . ?
C1R C1S C1T C1U -2(3) . . . . ?
C1S C1T C1U C1P 1(2) . . . . ?
C1U C1P C1Q C1R -1(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
