# 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. 
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data_sn_mb_290
_database_code_depnum_ccdc_archive 'CCDC 1506291'
_audit_update_record             
;
2016-09-26 deposited with the CCDC.
2017-02-23 downloaded from the CCDC.
;
_audit_creation_date             2015-09-25
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C33 H58 Mg N4 O Si2'
_chemical_formula_sum            'C33 H58 Mg N4 O Si2'
_chemical_formula_weight         607.32
_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'
O O 0.0106 0.0060 '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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   30.059(5)
_cell_length_b                   19.808(5)
_cell_length_c                   15.024(5)
_cell_angle_alpha                90
_cell_angle_beta                 117.992(5)
_cell_angle_gamma                90
_cell_volume                     7899(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9982
_cell_measurement_temperature    100
_cell_measurement_theta_max      30.03
_cell_measurement_theta_min      2.52
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.133
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6253
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0788 before and 0.0531 after correction.
The Ratio of minimum to maximum transmission is 0.8381.
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    1.021
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2656
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0573
_diffrn_reflns_av_unetI/netI     0.0395
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            78753
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         30.585
_diffrn_reflns_theta_min         1.283
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8923
_reflns_number_total             12074
_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    ?
_refine_diff_density_max         0.459
_refine_diff_density_min         -0.251
_refine_diff_density_rms         0.059
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     384
_refine_ls_number_reflns         12074
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0643
_refine_ls_R_factor_gt           0.0440
_refine_ls_restrained_S_all      1.063
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0740P)²+0.9980P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1234
_refine_ls_wR_factor_ref         0.1316
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C18(H18), C21(H21)
2.b Secondary CH2 refined with riding coordinates:
 C33(H33A,H33B), C30(H30A,H30B), C31(H31A,H31B), C32(H32A,H32B)
2.c Aromatic/amide H refined with riding coordinates:
 C15(H15), C13(H13), C5(H5), C14(H14), C7(H7), C6(H6)
2.d Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C17(H17A,H17B,H17C), C20(H20A,H20B,H20C), C22(H22A,H22B,
 H22C), C4(H4A,H4B,H4C), C9(H9A,H9B,H9C), C19(H19A,H19B,H19C), C29(H29A,H29B,
 H29C), C23(H23A,H23B,H23C), C27(H27A,H27B,H27C), C26(H26A,H26B,H26C), C24(H24A,
 H24B,H24C), C25(H25A,H25B,H25C), C28(H28A,H28B,H28C)
;
_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
Si1 Si 0.79623(2) 0.26721(2) 0.80789(3) 0.02364(9) Uani 1 1 d . . . . .
Si2 Si 0.80294(2) 0.12129(2) 0.87148(3) 0.02350(9) Uani 1 1 d . . . . .
Mg1 Mg 0.70982(2) 0.16879(2) 0.66871(3) 0.01893(9) Uani 1 1 d . . . . .
O1 O 0.73058(3) 0.12084(4) 0.57415(7) 0.02528(19) Uani 1 1 d . . . . .
N3 N 0.56488(3) 0.18661(5) 0.56438(8) 0.0224(2) Uani 1 1 d . . . . .
N1 N 0.64564(3) 0.22935(5) 0.59042(7) 0.02025(19) Uani 1 1 d . . . . .
N4 N 0.77470(3) 0.18682(5) 0.79141(7) 0.02048(19) Uani 1 1 d . . . . .
N2 N 0.64345(3) 0.12685(5) 0.65320(7) 0.01908(19) Uani 1 1 d . . . . .
C10 C 0.62850(4) 0.09176(6) 0.71718(8) 0.0207(2) Uani 1 1 d . . . . .
C1 C 0.61681(4) 0.18181(6) 0.60176(8) 0.0188(2) Uani 1 1 d . . . . .
C11 C 0.61972(4) 0.02182(6) 0.70542(9) 0.0241(2) Uani 1 1 d . . . . .
C33 C 0.78203(5) 0.11595(7) 0.58936(10) 0.0288(3) Uani 1 1 d . . . . .
H33A H 0.8061 0.1350 0.6556 0.035 Uiso 1 1 calc R . . . .
H33B H 0.7857 0.1405 0.5357 0.035 Uiso 1 1 calc R . . . .
C2 C 0.62592(4) 0.27840(6) 0.51234(9) 0.0230(2) Uani 1 1 d . . . . .
C16 C 0.62622(5) 0.12560(7) 0.79744(9) 0.0257(3) Uani 1 1 d . . . . .
C18 C 0.53471(4) 0.12438(7) 0.52342(10) 0.0266(3) Uani 1 1 d . . . . .
H18 H 0.5595 0.0879 0.5328 0.032 Uiso 1 1 calc R . . . .
C3 C 0.62762(5) 0.34727(6) 0.53718(11) 0.0290(3) Uani 1 1 d . . . . .
C8 C 0.60792(5) 0.25956(7) 0.41106(10) 0.0285(3) Uani 1 1 d . . . . .
C21 C 0.54259(5) 0.25248(7) 0.56771(11) 0.0305(3) Uani 1 1 d . . . . .
H21 H 0.5715 0.2846 0.5999 0.037 Uiso 1 1 calc R . . . .
C12 C 0.62714(5) -0.01716(7) 0.62744(10) 0.0302(3) Uani 1 1 d . . . . .
H12A H 0.6096 0.0058 0.5622 0.045 Uiso 1 1 calc GR . . . .
H12B H 0.6134 -0.0628 0.6216 0.045 Uiso 1 1 calc GR . . . .
H12C H 0.6632 -0.0199 0.6477 0.045 Uiso 1 1 calc GR . . . .
C17 C 0.64380(5) 0.19780(7) 0.82263(11) 0.0334(3) Uani 1 1 d . . . . .
H17A H 0.6796 0.2006 0.8411 0.050 Uiso 1 1 calc GR . . . .
H17B H 0.6388 0.2131 0.8793 0.050 Uiso 1 1 calc GR . . . .
H17C H 0.6244 0.2265 0.7638 0.050 Uiso 1 1 calc GR . . . .
C15 C 0.60983(5) 0.09060(8) 0.85717(10) 0.0337(3) Uani 1 1 d . . . . .
H15 H 0.6069 0.1137 0.9096 0.040 Uiso 1 1 calc R . . . .
C20 C 0.49942(5) 0.12816(8) 0.40958(11) 0.0378(3) Uani 1 1 d . . . . .
H20A H 0.4698 0.1554 0.3969 0.057 Uiso 1 1 calc GR . . . .
H20B H 0.4887 0.0825 0.3829 0.057 Uiso 1 1 calc GR . . . .
H20C H 0.5172 0.1489 0.3762 0.057 Uiso 1 1 calc GR . . . .
C13 C 0.60406(5) -0.01136(7) 0.76773(10) 0.0309(3) Uani 1 1 d . . . . .
H13 H 0.5976 -0.0585 0.7594 0.037 Uiso 1 1 calc R . . . .
C30 C 0.70348(5) 0.06561(7) 0.50734(10) 0.0312(3) Uani 1 1 d . . . . .
H30A H 0.6944 0.0768 0.4366 0.037 Uiso 1 1 calc R . . . .
H30B H 0.6724 0.0550 0.5117 0.037 Uiso 1 1 calc R . . . .
C5 C 0.60858(6) 0.39477(7) 0.45977(13) 0.0389(3) Uani 1 1 d . . . . .
H5 H 0.6092 0.4412 0.4761 0.047 Uiso 1 1 calc R . . . .
C22 C 0.51719(6) 0.25185(9) 0.63590(15) 0.0462(4) Uani 1 1 d . . . . .
H22A H 0.4841 0.2301 0.6003 0.069 Uiso 1 1 calc GR . . . .
H22B H 0.5130 0.2983 0.6531 0.069 Uiso 1 1 calc GR . . . .
H22C H 0.5383 0.2267 0.6978 0.069 Uiso 1 1 calc GR . . . .
C4 C 0.64881(6) 0.37022(7) 0.64500(12) 0.0379(3) Uani 1 1 d . . . . .
H4A H 0.6508 0.3317 0.6877 0.057 Uiso 1 1 calc GR . . . .
H4B H 0.6268 0.4049 0.6499 0.057 Uiso 1 1 calc GR . . . .
H4C H 0.6826 0.3890 0.6676 0.057 Uiso 1 1 calc GR . . . .
C9 C 0.61004(6) 0.18739(8) 0.38201(11) 0.0344(3) Uani 1 1 d . . . . .
H9A H 0.6447 0.1760 0.3978 0.052 Uiso 1 1 calc GR . . . .
H9B H 0.5879 0.1816 0.3096 0.052 Uiso 1 1 calc GR . . . .
H9C H 0.5989 0.1575 0.4197 0.052 Uiso 1 1 calc GR . . . .
C19 C 0.50509(5) 0.09965(8) 0.57656(12) 0.0366(3) Uani 1 1 d . . . . .
H19A H 0.5265 0.1018 0.6497 0.055 Uiso 1 1 calc GR . . . .
H19B H 0.4943 0.0529 0.5567 0.055 Uiso 1 1 calc GR . . . .
H19C H 0.4754 0.1283 0.5574 0.055 Uiso 1 1 calc GR . . . .
C29 C 0.76180(5) 0.04444(7) 0.82373(11) 0.0320(3) Uani 1 1 d . . . . .
H29A H 0.7296 0.0530 0.8232 0.048 Uiso 1 1 calc GR . . . .
H29B H 0.7786 0.0060 0.8679 0.048 Uiso 1 1 calc GR . . . .
H29C H 0.7558 0.0342 0.7552 0.048 Uiso 1 1 calc GR . . . .
C23 C 0.50667(5) 0.28337(8) 0.46548(13) 0.0425(4) Uani 1 1 d . . . . .
H23A H 0.5221 0.2813 0.4208 0.064 Uiso 1 1 calc GR . . . .
H23B H 0.5000 0.3306 0.4748 0.064 Uiso 1 1 calc GR . . . .
H23C H 0.4750 0.2580 0.4354 0.064 Uiso 1 1 calc GR . . . .
C14 C 0.59778(5) 0.02266(8) 0.84111(10) 0.0364(3) Uani 1 1 d . . . . .
H14 H 0.5853 -0.0003 0.8803 0.044 Uiso 1 1 calc R . . . .
C31 C 0.73981(6) 0.00735(8) 0.54437(12) 0.0388(3) Uani 1 1 d . . . . .
H31A H 0.7338 -0.0241 0.4886 0.047 Uiso 1 1 calc R . . . .
H31B H 0.7367 -0.0178 0.5982 0.047 Uiso 1 1 calc R . . . .
C32 C 0.79129(6) 0.04046(8) 0.58499(14) 0.0454(4) Uani 1 1 d . . . . .
H32A H 0.8062 0.0317 0.5397 0.055 Uiso 1 1 calc R . . . .
H32B H 0.8144 0.0230 0.6530 0.055 Uiso 1 1 calc R . . . .
C7 C 0.58908(6) 0.30917(8) 0.33628(11) 0.0390(3) Uani 1 1 d . . . . .
H7 H 0.5761 0.2964 0.2676 0.047 Uiso 1 1 calc R . . . .
C27 C 0.81513(7) 0.13722(8) 1.00346(11) 0.0434(4) Uani 1 1 d . . . . .
H27A H 0.8381 0.1756 1.0314 0.065 Uiso 1 1 calc GR . . . .
H27B H 0.8304 0.0970 1.0446 0.065 Uiso 1 1 calc GR . . . .
H27C H 0.7833 0.1474 1.0037 0.065 Uiso 1 1 calc GR . . . .
C6 C 0.58897(6) 0.37608(9) 0.36026(14) 0.0457(4) Uani 1 1 d . . . . .
H6 H 0.5754 0.4092 0.3085 0.055 Uiso 1 1 calc R . . . .
C26 C 0.77345(6) 0.31991(8) 0.88160(12) 0.0415(4) Uani 1 1 d . . . . .
H26A H 0.7365 0.3207 0.8471 0.062 Uiso 1 1 calc GR . . . .
H26B H 0.7863 0.3660 0.8873 0.062 Uiso 1 1 calc GR . . . .
H26C H 0.7856 0.3006 0.9491 0.062 Uiso 1 1 calc GR . . . .
C24 C 0.77434(5) 0.30763(8) 0.68099(12) 0.0370(3) Uani 1 1 d . . . . .
H24A H 0.7897 0.2844 0.6446 0.056 Uiso 1 1 calc GR . . . .
H24B H 0.7843 0.3553 0.6899 0.056 Uiso 1 1 calc GR . . . .
H24C H 0.7376 0.3043 0.6423 0.056 Uiso 1 1 calc GR . . . .
C25 C 0.86668(5) 0.27413(8) 0.87452(14) 0.0418(4) Uani 1 1 d . . . . .
H25A H 0.8800 0.2538 0.9417 0.063 Uiso 1 1 calc GR . . . .
H25B H 0.8764 0.3218 0.8811 0.063 Uiso 1 1 calc GR . . . .
H25C H 0.8804 0.2504 0.8356 0.063 Uiso 1 1 calc GR . . . .
C28 C 0.86550(5) 0.09607(8) 0.88156(13) 0.0421(4) Uani 1 1 d . . . . .
H28A H 0.8619 0.0892 0.8139 0.063 Uiso 1 1 calc GR . . . .
H28B H 0.8770 0.0541 0.9202 0.063 Uiso 1 1 calc GR . . . .
H28C H 0.8902 0.1318 0.9158 0.063 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 3.1339(7) . ?
Si1 N4 1.6926(11) . ?
Si1 C26 1.8698(16) . ?
Si1 C24 1.8792(16) . ?
Si1 C25 1.8750(14) . ?
Si2 Mg1 3.1616(8) . ?
Si2 N4 1.7012(11) . ?
Si2 C29 1.8783(14) . ?
Si2 C27 1.8664(17) . ?
Si2 C28 1.8820(15) . ?
Mg1 O1 2.0351(10) . ?
Mg1 N1 2.1011(11) . ?
Mg1 N4 1.9887(11) . ?
Mg1 N2 2.0707(10) . ?
Mg1 C1 2.5012(12) . ?
O1 C33 1.4568(15) . ?
O1 C30 1.4492(15) . ?
N3 C1 1.3920(14) . ?
N3 C18 1.4823(15) . ?
N3 C21 1.4781(16) . ?
N1 C1 1.3438(15) . ?
N1 C2 1.4207(16) . ?
N2 C10 1.4194(15) . ?
N2 C1 1.3575(15) . ?
C10 C11 1.4059(17) . ?
C10 C16 1.4092(18) . ?
C11 C12 1.5045(19) . ?
C11 C13 1.3940(18) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 C32 1.528(2) . ?
C2 C3 1.4089(18) . ?
C2 C8 1.4051(19) . ?
C16 C17 1.5098(19) . ?
C16 C15 1.3941(19) . ?
C18 H18 1.0000 . ?
C18 C20 1.5340(19) . ?
C18 C19 1.5288(19) . ?
C3 C5 1.393(2) . ?
C3 C4 1.506(2) . ?
C8 C9 1.505(2) . ?
C8 C7 1.3969(19) . ?
C21 H21 1.0000 . ?
C21 C22 1.538(2) . ?
C21 C23 1.531(2) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C15 H15 0.9500 . ?
C15 C14 1.385(2) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C13 H13 0.9500 . ?
C13 C14 1.379(2) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C31 1.505(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.376(3) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C14 H14 0.9500 . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C32 1.520(2) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C7 H7 0.9500 . ?
C7 C6 1.374(2) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C6 H6 0.9500 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 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
N4 Si1 Mg1 34.61(3) . . ?
N4 Si1 C26 113.00(7) . . ?
N4 Si1 C24 108.95(6) . . ?
N4 Si1 C25 113.91(6) . . ?
C26 Si1 Mg1 108.86(5) . . ?
C26 Si1 C24 108.17(8) . . ?
C26 Si1 C25 106.19(8) . . ?
C24 Si1 Mg1 78.60(5) . . ?
C25 Si1 Mg1 140.93(5) . . ?
C25 Si1 C24 106.28(7) . . ?
N4 Si2 Mg1 33.84(3) . . ?
N4 Si2 C29 109.14(6) . . ?
N4 Si2 C27 113.97(7) . . ?
N4 Si2 C28 114.05(6) . . ?
C29 Si2 Mg1 75.34(5) . . ?
C29 Si2 C28 105.63(7) . . ?
C27 Si2 Mg1 128.10(6) . . ?
C27 Si2 C29 107.98(7) . . ?
C27 Si2 C28 105.59(8) . . ?
C28 Si2 Mg1 123.77(6) . . ?
Si1 Mg1 Si2 57.354(17) . . ?
O1 Mg1 Si1 109.06(3) . . ?
O1 Mg1 Si2 96.37(4) . . ?
O1 Mg1 N1 112.18(5) . . ?
O1 Mg1 N2 109.21(4) . . ?
O1 Mg1 C1 114.74(4) . . ?
N1 Mg1 Si1 105.90(3) . . ?
N1 Mg1 Si2 150.97(3) . . ?
N1 Mg1 C1 32.50(4) . . ?
N4 Mg1 Si1 28.91(3) . . ?
N4 Mg1 Si2 28.45(3) . . ?
N4 Mg1 O1 104.03(5) . . ?
N4 Mg1 N1 131.28(4) . . ?
N4 Mg1 N2 130.56(5) . . ?
N4 Mg1 C1 141.17(4) . . ?
N2 Mg1 Si1 141.04(3) . . ?
N2 Mg1 Si2 111.07(3) . . ?
N2 Mg1 N1 65.36(4) . . ?
N2 Mg1 C1 32.86(4) . . ?
C1 Mg1 Si1 128.62(3) . . ?
C1 Mg1 Si2 137.32(3) . . ?
C33 O1 Mg1 124.91(7) . . ?
C30 O1 Mg1 125.38(8) . . ?
C30 O1 C33 105.60(9) . . ?
C1 N3 C18 117.55(10) . . ?
C1 N3 C21 119.14(10) . . ?
C21 N3 C18 123.32(10) . . ?
C1 N1 Mg1 90.36(7) . . ?
C1 N1 C2 122.67(9) . . ?
C2 N1 Mg1 140.39(8) . . ?
Si1 N4 Si2 125.79(6) . . ?
Si1 N4 Mg1 116.47(5) . . ?
Si2 N4 Mg1 117.72(6) . . ?
C10 N2 Mg1 135.62(7) . . ?
C1 N2 Mg1 91.27(7) . . ?
C1 N2 C10 119.24(10) . . ?
C11 C10 N2 119.86(11) . . ?
C11 C10 C16 119.65(11) . . ?
C16 C10 N2 120.30(11) . . ?
N3 C1 Mg1 178.00(8) . . ?
N1 C1 Mg1 57.14(6) . . ?
N1 C1 N3 124.67(10) . . ?
N1 C1 N2 113.00(10) . . ?
N2 C1 Mg1 55.86(5) . . ?
N2 C1 N3 122.33(10) . . ?
C10 C11 C12 121.05(11) . . ?
C13 C11 C10 118.87(12) . . ?
C13 C11 C12 120.08(12) . . ?
O1 C33 H33A 110.7 . . ?
O1 C33 H33B 110.7 . . ?
O1 C33 C32 105.04(11) . . ?
H33A C33 H33B 108.8 . . ?
C32 C33 H33A 110.7 . . ?
C32 C33 H33B 110.7 . . ?
C3 C2 N1 119.62(12) . . ?
C8 C2 N1 120.79(11) . . ?
C8 C2 C3 119.45(12) . . ?
C10 C16 C17 120.87(11) . . ?
C15 C16 C10 119.21(12) . . ?
C15 C16 C17 119.83(12) . . ?
N3 C18 H18 105.8 . . ?
N3 C18 C20 112.98(11) . . ?
N3 C18 C19 116.26(11) . . ?
C20 C18 H18 105.8 . . ?
C19 C18 H18 105.8 . . ?
C19 C18 C20 109.30(11) . . ?
C2 C3 C4 121.44(12) . . ?
C5 C3 C2 118.89(14) . . ?
C5 C3 C4 119.66(13) . . ?
C2 C8 C9 121.28(12) . . ?
C7 C8 C2 119.27(13) . . ?
C7 C8 C9 119.43(13) . . ?
N3 C21 H21 105.9 . . ?
N3 C21 C22 112.95(12) . . ?
N3 C21 C23 115.88(12) . . ?
C22 C21 H21 105.9 . . ?
C23 C21 H21 105.9 . . ?
C23 C21 C22 109.55(12) . . ?
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 . . ?
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 . . ?
C16 C15 H15 119.6 . . ?
C14 C15 C16 120.90(13) . . ?
C14 C15 H15 119.6 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C11 C13 H13 119.2 . . ?
C14 C13 C11 121.51(13) . . ?
C14 C13 H13 119.2 . . ?
O1 C30 H30A 110.9 . . ?
O1 C30 H30B 110.9 . . ?
O1 C30 C31 104.38(11) . . ?
H30A C30 H30B 108.9 . . ?
C31 C30 H30A 110.9 . . ?
C31 C30 H30B 110.9 . . ?
C3 C5 H5 119.2 . . ?
C6 C5 C3 121.61(14) . . ?
C6 C5 H5 119.2 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 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 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C15 C14 H14 120.3 . . ?
C13 C14 C15 119.44(13) . . ?
C13 C14 H14 120.3 . . ?
C30 C31 H31A 110.9 . . ?
C30 C31 H31B 110.9 . . ?
C30 C31 C32 104.06(12) . . ?
H31A C31 H31B 109.0 . . ?
C32 C31 H31A 110.9 . . ?
C32 C31 H31B 110.9 . . ?
C33 C32 H32A 110.6 . . ?
C33 C32 H32B 110.6 . . ?
C31 C32 C33 105.54(12) . . ?
C31 C32 H32A 110.6 . . ?
C31 C32 H32B 110.6 . . ?
H32A C32 H32B 108.8 . . ?
C8 C7 H7 119.4 . . ?
C6 C7 C8 121.17(15) . . ?
C6 C7 H7 119.4 . . ?
Si2 C27 H27A 109.5 . . ?
Si2 C27 H27B 109.5 . . ?
Si2 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C5 C6 H6 120.3 . . ?
C7 C6 C5 119.47(14) . . ?
C7 C6 H6 120.3 . . ?
Si1 C26 H26A 109.5 . . ?
Si1 C26 H26B 109.5 . . ?
Si1 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si1 C24 H24A 109.5 . . ?
Si1 C24 H24B 109.5 . . ?
Si1 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si1 C25 H25A 109.5 . . ?
Si1 C25 H25B 109.5 . . ?
Si1 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
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 . . ?

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 N4 Si2 -178.54(12) . . . . ?
Mg1 Si2 N4 Si1 178.53(12) . . . . ?
Mg1 O1 C33 C32 125.50(11) . . . . ?
Mg1 O1 C30 C31 -117.37(10) . . . . ?
Mg1 N1 C1 N3 -178.96(10) . . . . ?
Mg1 N1 C1 N2 0.23(10) . . . . ?
Mg1 N1 C2 C3 -101.89(14) . . . . ?
Mg1 N1 C2 C8 73.67(16) . . . . ?
Mg1 N2 C10 C11 -106.05(12) . . . . ?
Mg1 N2 C10 C16 68.98(15) . . . . ?
Mg1 N2 C1 N3 178.98(10) . . . . ?
Mg1 N2 C1 N1 -0.23(10) . . . . ?
O1 C33 C32 C31 12.10(16) . . . . ?
O1 C30 C31 C32 -31.71(14) . . . . ?
N1 C2 C3 C5 179.36(11) . . . . ?
N1 C2 C3 C4 -1.53(18) . . . . ?
N1 C2 C8 C9 -1.51(18) . . . . ?
N1 C2 C8 C7 -179.59(11) . . . . ?
N2 C10 C11 C12 1.52(16) . . . . ?
N2 C10 C11 C13 -178.69(10) . . . . ?
N2 C10 C16 C17 -5.31(17) . . . . ?
N2 C10 C16 C15 177.89(11) . . . . ?
C10 N2 C1 Mg1 146.28(11) . . . . ?
C10 N2 C1 N3 -34.74(15) . . . . ?
C10 N2 C1 N1 146.05(10) . . . . ?
C10 C11 C13 C14 -0.96(18) . . . . ?
C10 C16 C15 C14 2.61(19) . . . . ?
C1 N3 C18 C20 -113.86(13) . . . . ?
C1 N3 C18 C19 118.58(12) . . . . ?
C1 N3 C21 C22 -116.10(13) . . . . ?
C1 N3 C21 C23 116.36(13) . . . . ?
C1 N1 C2 C3 116.24(13) . . . . ?
C1 N1 C2 C8 -68.20(16) . . . . ?
C1 N2 C10 C11 126.46(11) . . . . ?
C1 N2 C10 C16 -58.51(14) . . . . ?
C11 C10 C16 C17 169.73(11) . . . . ?
C11 C10 C16 C15 -7.06(17) . . . . ?
C11 C13 C14 C15 -3.5(2) . . . . ?
C33 O1 C30 C31 40.58(13) . . . . ?
C2 N1 C1 Mg1 156.81(12) . . . . ?
C2 N1 C1 N3 -22.15(18) . . . . ?
C2 N1 C1 N2 157.04(11) . . . . ?
C2 C3 C5 C6 -1.0(2) . . . . ?
C2 C8 C7 C6 1.6(2) . . . . ?
C16 C10 C11 C12 -173.54(11) . . . . ?
C16 C10 C11 C13 6.24(17) . . . . ?
C16 C15 C14 C13 2.7(2) . . . . ?
C18 N3 C1 N1 141.73(12) . . . . ?
C18 N3 C1 N2 -37.39(16) . . . . ?
C18 N3 C21 C22 63.56(17) . . . . ?
C18 N3 C21 C23 -63.98(16) . . . . ?
C3 C2 C8 C9 174.06(12) . . . . ?
C3 C2 C8 C7 -4.02(18) . . . . ?
C3 C5 C6 C7 -1.5(2) . . . . ?
C8 C2 C3 C5 3.74(18) . . . . ?
C8 C2 C3 C4 -177.15(12) . . . . ?
C8 C7 C6 C5 1.2(2) . . . . ?
C21 N3 C1 N1 -38.59(17) . . . . ?
C21 N3 C1 N2 142.29(12) . . . . ?
C21 N3 C18 C20 66.48(16) . . . . ?
C21 N3 C18 C19 -61.09(16) . . . . ?
C12 C11 C13 C14 178.83(12) . . . . ?
C17 C16 C15 C14 -174.22(13) . . . . ?
C30 O1 C33 C32 -32.59(14) . . . . ?
C30 C31 C32 C33 11.75(16) . . . . ?
C4 C3 C5 C6 179.88(14) . . . . ?
C9 C8 C7 C6 -176.56(14) . . . . ?
C29 Si2 N4 Si1 175.98(7) . . . . ?
C29 Si2 N4 Mg1 -2.55(8) . . . . ?
C27 Si2 N4 Si1 55.20(10) . . . . ?
C27 Si2 N4 Mg1 -123.33(8) . . . . ?
C26 Si1 N4 Si2 -88.35(9) . . . . ?
C26 Si1 N4 Mg1 90.19(8) . . . . ?
C24 Si1 N4 Si2 151.39(8) . . . . ?
C24 Si1 N4 Mg1 -30.07(8) . . . . ?
C25 Si1 N4 Si2 32.94(10) . . . . ?
C25 Si1 N4 Mg1 -148.52(8) . . . . ?
C28 Si2 N4 Si1 -66.17(10) . . . . ?
C28 Si2 N4 Mg1 115.31(8) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 -0.385 507.4 123.6 ?
2 0.500 0.500 -0.041 507.4 123.6 ?

_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_sn_mb_205_m
_database_code_depnum_ccdc_archive 'CCDC 1506292'
_audit_update_record             
;
2016-09-26 deposited with the CCDC.
2017-02-23 downloaded from the CCDC.
;
_audit_creation_date             2015-08-31
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C41 H74 Mg N4 O Si2'
_chemical_formula_sum            'C41 H74 Mg N4 O Si2'
_chemical_formula_weight         719.53
_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'
O O 0.0106 0.0060 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.752(5)
_cell_length_b                   36.875(5)
_cell_length_c                   11.551(5)
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 107.486(5)
_cell_angle_gamma                90.000(5)
_cell_volume                     4368(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9868
_cell_measurement_temperature    100
_cell_measurement_theta_max      29.531
_cell_measurement_theta_min      2.588
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.129
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.6311
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1341 before and 0.0534 after correction.
The Ratio of minimum to maximum transmission is 0.8461.
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    1.094
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1584
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0593
_diffrn_reflns_av_unetI/netI     0.0455
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_k_min       -51
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            64589
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         29.626
_diffrn_reflns_theta_min         2.061
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9522
_reflns_number_total             11918
_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    ?
_refine_diff_density_max         0.445
_refine_diff_density_min         -0.277
_refine_diff_density_rms         0.057
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         11918
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0773
_refine_ls_R_factor_gt           0.0602
_refine_ls_restrained_S_all      1.097
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0415P)²+3.8654P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1286
_refine_ls_wR_factor_ref         0.1355
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C11(H11), C26(H26), C8(H8), C29(H29), C20(H20), C23(H23)
2.b Secondary CH2 refined with riding coordinates:
 C38(H38A,H38B), C41(H41A,H41B), C40(H40A,H40B), C39(H39A,H39B)
2.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C18(H18), C4(H4), C16(H16), C17(H17), C5(H5)
2.d Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C), C10(H10A,H10B,H10C), C31(H31A,H31B,H31C), C21(H21A,H21B,
 H21C), C9(H9A,H9B,H9C), C22(H22A,H22B,H22C), C13(H13A,H13B,H13C), C25(H25A,
 H25B,H25C), C24(H24A,H24B,H24C), C28(H28A,H28B,H28C), C34(H34A,H34B,H34C),
 C35(H35A,H35B,H35C), C12(H12A,H12B,H12C), C36(H36A,H36B,H36C), C32(H32A,H32B,
 H32C), C37(H37A,H37B,H37C), C33(H33A,H33B,H33C), C27(H27A,H27B,H27C)
;
_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
Si1 Si 0.47526(5) 0.05652(2) 0.68584(5) 0.02021(11) Uani 1 1 d . . . . .
Si2 Si 0.66824(5) 0.05537(2) 0.93581(5) 0.01939(11) Uani 1 1 d . . . . .
Mg1 Mg 0.75376(5) 0.09457(2) 0.73010(5) 0.01477(12) Uani 1 1 d . . . . .
O4 O 0.86731(12) 0.05179(3) 0.70586(13) 0.0224(3) Uani 1 1 d . . . . .
N3 N 0.89226(13) 0.18664(4) 0.65726(13) 0.0157(3) Uani 1 1 d . . . . .
N2 N 0.87636(13) 0.13841(4) 0.79185(13) 0.0137(3) Uani 1 1 d . . . . .
C7 C 0.75908(16) 0.13320(5) 0.39582(16) 0.0177(3) Uani 1 1 d . . . . .
C2 C 0.68743(16) 0.14289(5) 0.47560(15) 0.0152(3) Uani 1 1 d . . . . .
N1 N 0.73649(13) 0.13652(4) 0.60332(13) 0.0139(3) Uani 1 1 d . . . . .
C19 C 0.83451(17) 0.18210(5) 0.93926(16) 0.0173(3) Uani 1 1 d . . . . .
C1 C 0.83452(15) 0.15509(5) 0.68144(15) 0.0134(3) Uani 1 1 d . . . . .
N4 N 0.62178(14) 0.06741(4) 0.78654(14) 0.0181(3) Uani 1 1 d . . . . .
C11 C 0.47238(16) 0.16453(5) 0.50666(17) 0.0204(4) Uani 1 1 d . . . . .
H11 H 0.5084 0.1508 0.5842 0.025 Uiso 1 1 calc R . . . .
C26 C 1.03313(16) 0.19166(5) 0.72088(17) 0.0188(3) Uani 1 1 d . . . . .
H26 H 1.0532 0.1750 0.7926 0.023 Uiso 1 1 calc R . . . .
C14 C 0.91959(16) 0.15787(5) 0.90386(15) 0.0146(3) Uani 1 1 d . . . . .
C6 C 0.70893(19) 0.14187(6) 0.27283(17) 0.0259(4) Uani 1 1 d . . . . .
H6 H 0.7578 0.1360 0.2192 0.031 Uiso 1 1 calc R . . . .
C3 C 0.56034(16) 0.15736(5) 0.42777(16) 0.0177(3) Uani 1 1 d . . . . .
C18 C 0.87363(19) 0.19678(5) 1.05567(17) 0.0230(4) Uani 1 1 d . . . . .
H18 H 0.8167 0.2129 1.0794 0.028 Uiso 1 1 calc R . . . .
C8 C 0.88185(17) 0.11020(5) 0.43922(17) 0.0204(4) Uani 1 1 d . . . . .
H8 H 0.9199 0.1138 0.5288 0.025 Uiso 1 1 calc R . . . .
C15 C 1.04379(17) 0.15025(5) 0.98731(16) 0.0180(3) Uani 1 1 d . . . . .
C29 C 0.81897(17) 0.21297(5) 0.56461(17) 0.0190(3) Uani 1 1 d . . . . .
H29 H 0.7315 0.2018 0.5261 0.023 Uiso 1 1 calc R . . . .
C20 C 0.69810(17) 0.19085(5) 0.85593(17) 0.0193(3) Uani 1 1 d . . . . .
H20 H 0.7005 0.1893 0.7702 0.023 Uiso 1 1 calc R . . . .
C38 C 1.00864(18) 0.05191(6) 0.7306(2) 0.0288(4) Uani 1 1 d . . . . .
H38A H 1.0526 0.0576 0.8170 0.035 Uiso 1 1 calc R . . . .
H38B H 1.0348 0.0702 0.6796 0.035 Uiso 1 1 calc R . . . .
C23 C 1.14446(17) 0.12650(5) 0.95553(18) 0.0220(4) Uani 1 1 d . . . . .
H23 H 1.1073 0.1183 0.8695 0.026 Uiso 1 1 calc R . . . .
C30 C 0.7930(2) 0.24926(5) 0.6179(2) 0.0288(4) Uani 1 1 d . . . . .
H30A H 0.7717 0.2449 0.6935 0.043 Uiso 1 1 calc GR . . . .
H30B H 0.7198 0.2616 0.5597 0.043 Uiso 1 1 calc GR . . . .
H30C H 0.8710 0.2645 0.6348 0.043 Uiso 1 1 calc GR . . . .
C4 C 0.51450(18) 0.16555(6) 0.30447(17) 0.0256(4) Uani 1 1 d . . . . .
H4 H 0.4303 0.1760 0.2724 0.031 Uiso 1 1 calc R . . . .
C10 C 0.98715(18) 0.11925(6) 0.37904(19) 0.0264(4) Uani 1 1 d . . . . .
H10A H 0.9549 0.1134 0.2923 0.040 Uiso 1 1 calc GR . . . .
H10B H 1.0656 0.1050 0.4171 0.040 Uiso 1 1 calc GR . . . .
H10C H 1.0082 0.1451 0.3892 0.040 Uiso 1 1 calc GR . . . .
C16 C 1.07709(19) 0.16562(5) 1.10281(17) 0.0236(4) Uani 1 1 d . . . . .
H16 H 1.1596 0.1602 1.1589 0.028 Uiso 1 1 calc R . . . .
C17 C 0.9937(2) 0.18847(6) 1.13786(18) 0.0269(4) Uani 1 1 d . . . . .
H17 H 1.0181 0.1984 1.2174 0.032 Uiso 1 1 calc R . . . .
C41 C 0.8193(2) 0.01471(5) 0.6796(2) 0.0273(4) Uani 1 1 d . . . . .
H41A H 0.7795 0.0112 0.5912 0.033 Uiso 1 1 calc R . . . .
H41B H 0.7534 0.0091 0.7212 0.033 Uiso 1 1 calc R . . . .
C31 C 0.8787(2) 0.21947(6) 0.46188(19) 0.0289(4) Uani 1 1 d . . . . .
H31A H 0.9584 0.2339 0.4923 0.043 Uiso 1 1 calc GR . . . .
H31B H 0.8161 0.2325 0.3956 0.043 Uiso 1 1 calc GR . . . .
H31C H 0.8999 0.1961 0.4319 0.043 Uiso 1 1 calc GR . . . .
C40 C 0.9386(2) -0.00901(6) 0.7273(2) 0.0366(5) Uani 1 1 d . . . . .
H40A H 0.9279 -0.0325 0.6839 0.044 Uiso 1 1 calc R . . . .
H40B H 0.9580 -0.0135 0.8154 0.044 Uiso 1 1 calc R . . . .
C5 C 0.58904(19) 0.15885(6) 0.22781(18) 0.0297(5) Uani 1 1 d . . . . .
H5 H 0.5583 0.1658 0.1449 0.036 Uiso 1 1 calc R . . . .
C21 C 0.6522(2) 0.22912(6) 0.8755(2) 0.0292(4) Uani 1 1 d . . . . .
H21A H 0.6354 0.2302 0.9543 0.044 Uiso 1 1 calc GR . . . .
H21B H 0.5718 0.2348 0.8109 0.044 Uiso 1 1 calc GR . . . .
H21C H 0.7199 0.2467 0.8740 0.044 Uiso 1 1 calc GR . . . .
C9 C 0.8416(2) 0.07028(6) 0.4161(2) 0.0303(4) Uani 1 1 d . . . . .
H9A H 0.7735 0.0647 0.4538 0.045 Uiso 1 1 calc GR . . . .
H9B H 0.9175 0.0547 0.4512 0.045 Uiso 1 1 calc GR . . . .
H9C H 0.8082 0.0659 0.3284 0.045 Uiso 1 1 calc GR . . . .
C22 C 0.59778(19) 0.16325(6) 0.87145(19) 0.0264(4) Uani 1 1 d . . . . .
H22A H 0.6211 0.1390 0.8499 0.040 Uiso 1 1 calc GR . . . .
H22B H 0.5111 0.1698 0.8183 0.040 Uiso 1 1 calc GR . . . .
H22C H 0.5970 0.1633 0.9561 0.040 Uiso 1 1 calc GR . . . .
C13 C 0.33297(18) 0.15094(6) 0.44613(19) 0.0289(4) Uani 1 1 d . . . . .
H13A H 0.2906 0.1664 0.3764 0.043 Uiso 1 1 calc GR . . . .
H13B H 0.2834 0.1518 0.5048 0.043 Uiso 1 1 calc GR . . . .
H13C H 0.3359 0.1259 0.4186 0.043 Uiso 1 1 calc GR . . . .
C25 C 1.1794(2) 0.09276(6) 1.0364(2) 0.0327(5) Uani 1 1 d . . . . .
H25A H 1.2188 0.1002 1.1210 0.049 Uiso 1 1 calc GR . . . .
H25B H 1.2415 0.0778 1.0104 0.049 Uiso 1 1 calc GR . . . .
H25C H 1.1002 0.0787 1.0296 0.049 Uiso 1 1 calc GR . . . .
C24 C 1.27013(18) 0.14785(6) 0.96605(19) 0.0274(4) Uani 1 1 d . . . . .
H24A H 1.2488 0.1700 0.9175 0.041 Uiso 1 1 calc GR . . . .
H24B H 1.3294 0.1329 0.9362 0.041 Uiso 1 1 calc GR . . . .
H24C H 1.3124 0.1542 1.0512 0.041 Uiso 1 1 calc GR . . . .
C28 C 1.12028(19) 0.17917(8) 0.6458(2) 0.0383(6) Uani 1 1 d . . . . .
H28A H 1.0923 0.1551 0.6119 0.058 Uiso 1 1 calc GR . . . .
H28B H 1.2109 0.1780 0.6978 0.058 Uiso 1 1 calc GR . . . .
H28C H 1.1136 0.1964 0.5797 0.058 Uiso 1 1 calc GR . . . .
C34 C 0.7136(2) 0.00606(6) 0.9612(2) 0.0341(5) Uani 1 1 d . . . . .
H34A H 0.6425 -0.0089 0.9110 0.051 Uiso 1 1 calc GR . . . .
H34B H 0.7286 0.0000 1.0470 0.051 Uiso 1 1 calc GR . . . .
H34C H 0.7932 0.0014 0.9390 0.051 Uiso 1 1 calc GR . . . .
C35 C 0.33847(19) 0.08710(6) 0.6946(2) 0.0292(4) Uani 1 1 d . . . . .
H35A H 0.3199 0.0830 0.7716 0.044 Uiso 1 1 calc GR . . . .
H35B H 0.2604 0.0818 0.6270 0.044 Uiso 1 1 calc GR . . . .
H35C H 0.3639 0.1124 0.6899 0.044 Uiso 1 1 calc GR . . . .
C12 C 0.46762(19) 0.20460(6) 0.5386(2) 0.0291(4) Uani 1 1 d . . . . .
H12A H 0.5547 0.2126 0.5867 0.044 Uiso 1 1 calc GR . . . .
H12B H 0.4065 0.2080 0.5859 0.044 Uiso 1 1 calc GR . . . .
H12C H 0.4386 0.2189 0.4639 0.044 Uiso 1 1 calc GR . . . .
C39 C 1.0443(2) 0.01405(6) 0.7002(2) 0.0327(5) Uani 1 1 d . . . . .
H39A H 1.1322 0.0070 0.7521 0.039 Uiso 1 1 calc R . . . .
H39B H 1.0411 0.0121 0.6139 0.039 Uiso 1 1 calc R . . . .
C36 C 0.48754(19) 0.05869(6) 0.52709(18) 0.0276(4) Uani 1 1 d . . . . .
H36A H 0.5230 0.0823 0.5140 0.041 Uiso 1 1 calc GR . . . .
H36B H 0.4007 0.0556 0.4688 0.041 Uiso 1 1 calc GR . . . .
H36C H 0.5453 0.0394 0.5157 0.041 Uiso 1 1 calc GR . . . .
C32 C 0.8203(2) 0.08027(6) 1.02065(19) 0.0301(5) Uani 1 1 d . . . . .
H32A H 0.8870 0.0768 0.9796 0.045 Uiso 1 1 calc GR . . . .
H32B H 0.8523 0.0709 1.1037 0.045 Uiso 1 1 calc GR . . . .
H32C H 0.8010 0.1062 1.0230 0.045 Uiso 1 1 calc GR . . . .
C37 C 0.4175(2) 0.00935(6) 0.7056(2) 0.0306(5) Uani 1 1 d . . . . .
H37A H 0.4823 -0.0084 0.6976 0.046 Uiso 1 1 calc GR . . . .
H37B H 0.3342 0.0047 0.6433 0.046 Uiso 1 1 calc GR . . . .
H37C H 0.4057 0.0071 0.7862 0.046 Uiso 1 1 calc GR . . . .
C33 C 0.5434(2) 0.06559(7) 1.0139(2) 0.0321(5) Uani 1 1 d . . . . .
H33A H 0.5235 0.0916 1.0076 0.048 Uiso 1 1 calc GR . . . .
H33B H 0.5773 0.0588 1.0997 0.048 Uiso 1 1 calc GR . . . .
H33C H 0.4638 0.0518 0.9755 0.048 Uiso 1 1 calc GR . . . .
C27 C 1.0710(2) 0.22919(7) 0.7724(3) 0.0504(7) Uani 1 1 d . . . . .
H27A H 1.0604 0.2465 0.7058 0.076 Uiso 1 1 calc GR . . . .
H27B H 1.1622 0.2290 0.8233 0.076 Uiso 1 1 calc GR . . . .
H27C H 1.0150 0.2363 0.8216 0.076 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 N4 1.7015(17) . ?
Si1 C35 1.880(2) . ?
Si1 C36 1.879(2) . ?
Si1 C37 1.884(2) . ?
Si2 N4 1.7036(17) . ?
Si2 C34 1.883(2) . ?
Si2 C32 1.874(2) . ?
Si2 C33 1.867(2) . ?
Mg1 O4 2.0649(14) . ?
Mg1 N2 2.0724(15) . ?
Mg1 N1 2.0996(16) . ?
Mg1 N4 1.9995(16) . ?
O4 C38 1.459(2) . ?
O4 C41 1.461(2) . ?
N3 C1 1.386(2) . ?
N3 C26 1.483(2) . ?
N3 C29 1.484(2) . ?
N2 C1 1.365(2) . ?
N2 C14 1.429(2) . ?
C7 C2 1.413(2) . ?
C7 C6 1.397(3) . ?
C7 C8 1.522(2) . ?
C2 N1 1.429(2) . ?
C2 C3 1.415(2) . ?
N1 C1 1.350(2) . ?
C19 C14 1.424(2) . ?
C19 C18 1.392(3) . ?
C19 C20 1.528(2) . ?
C11 H11 1.0000 . ?
C11 C3 1.521(2) . ?
C11 C13 1.535(3) . ?
C11 C12 1.528(3) . ?
C26 H26 1.0000 . ?
C26 C28 1.526(3) . ?
C26 C27 1.513(3) . ?
C14 C15 1.420(2) . ?
C6 H6 0.9500 . ?
C6 C5 1.386(3) . ?
C3 C4 1.393(3) . ?
C18 H18 0.9500 . ?
C18 C17 1.388(3) . ?
C8 H8 1.0000 . ?
C8 C10 1.533(3) . ?
C8 C9 1.535(3) . ?
C15 C23 1.521(3) . ?
C15 C16 1.394(3) . ?
C29 H29 1.0000 . ?
C29 C30 1.534(3) . ?
C29 C31 1.528(3) . ?
C20 H20 1.0000 . ?
C20 C21 1.534(3) . ?
C20 C22 1.532(3) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C38 C39 1.517(3) . ?
C23 H23 1.0000 . ?
C23 C25 1.533(3) . ?
C23 C24 1.537(3) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C4 H4 0.9500 . ?
C4 C5 1.383(3) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C16 H16 0.9500 . ?
C16 C17 1.377(3) . ?
C17 H17 0.9500 . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C41 C40 1.513(3) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 C39 1.525(3) . ?
C5 H5 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 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 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 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
N4 Si1 C35 113.58(9) . . ?
N4 Si1 C36 109.57(9) . . ?
N4 Si1 C37 113.98(9) . . ?
C35 Si1 C37 104.79(10) . . ?
C36 Si1 C35 108.22(10) . . ?
C36 Si1 C37 106.28(10) . . ?
N4 Si2 C34 113.15(9) . . ?
N4 Si2 C32 110.24(9) . . ?
N4 Si2 C33 113.68(9) . . ?
C32 Si2 C34 104.33(11) . . ?
C33 Si2 C34 108.03(11) . . ?
C33 Si2 C32 106.81(11) . . ?
O4 Mg1 N2 107.57(6) . . ?
O4 Mg1 N1 113.60(6) . . ?
N2 Mg1 N1 65.11(6) . . ?
N4 Mg1 O4 99.67(7) . . ?
N4 Mg1 N2 135.96(7) . . ?
N4 Mg1 N1 132.36(6) . . ?
C38 O4 Mg1 126.46(11) . . ?
C38 O4 C41 109.03(14) . . ?
C41 O4 Mg1 123.83(11) . . ?
C1 N3 C26 117.22(14) . . ?
C1 N3 C29 121.43(14) . . ?
C26 N3 C29 121.18(14) . . ?
C1 N2 Mg1 91.89(10) . . ?
C1 N2 C14 123.09(14) . . ?
C14 N2 Mg1 134.68(11) . . ?
C2 C7 C8 121.00(16) . . ?
C6 C7 C2 119.07(16) . . ?
C6 C7 C8 119.62(16) . . ?
C7 C2 N1 121.81(15) . . ?
C7 C2 C3 119.49(16) . . ?
C3 C2 N1 118.59(15) . . ?
C2 N1 Mg1 140.26(11) . . ?
C1 N1 Mg1 91.14(10) . . ?
C1 N1 C2 125.35(14) . . ?
C14 C19 C20 121.99(16) . . ?
C18 C19 C14 119.19(16) . . ?
C18 C19 C20 118.73(16) . . ?
N2 C1 N3 121.65(14) . . ?
N1 C1 N3 126.73(15) . . ?
N1 C1 N2 111.59(15) . . ?
Si1 N4 Si2 124.06(9) . . ?
Si1 N4 Mg1 119.83(9) . . ?
Si2 N4 Mg1 116.08(8) . . ?
C3 C11 H11 107.8 . . ?
C3 C11 C13 111.61(16) . . ?
C3 C11 C12 112.65(16) . . ?
C13 C11 H11 107.8 . . ?
C12 C11 H11 107.8 . . ?
C12 C11 C13 109.07(16) . . ?
N3 C26 H26 105.6 . . ?
N3 C26 C28 113.00(16) . . ?
N3 C26 C27 115.04(16) . . ?
C28 C26 H26 105.6 . . ?
C27 C26 H26 105.6 . . ?
C27 C26 C28 111.15(19) . . ?
C19 C14 N2 120.84(14) . . ?
C15 C14 N2 119.92(15) . . ?
C15 C14 C19 118.90(16) . . ?
C7 C6 H6 119.5 . . ?
C5 C6 C7 121.08(18) . . ?
C5 C6 H6 119.5 . . ?
C2 C3 C11 122.20(16) . . ?
C4 C3 C2 118.96(16) . . ?
C4 C3 C11 118.83(16) . . ?
C19 C18 H18 119.2 . . ?
C17 C18 C19 121.59(18) . . ?
C17 C18 H18 119.2 . . ?
C7 C8 H8 108.2 . . ?
C7 C8 C10 114.53(16) . . ?
C7 C8 C9 107.82(15) . . ?
C10 C8 H8 108.2 . . ?
C10 C8 C9 109.73(16) . . ?
C9 C8 H8 108.2 . . ?
C14 C15 C23 122.84(16) . . ?
C16 C15 C14 119.21(17) . . ?
C16 C15 C23 117.94(16) . . ?
N3 C29 H29 106.1 . . ?
N3 C29 C30 113.73(16) . . ?
N3 C29 C31 113.99(15) . . ?
C30 C29 H29 106.1 . . ?
C31 C29 H29 106.1 . . ?
C31 C29 C30 110.16(16) . . ?
C19 C20 H20 107.8 . . ?
C19 C20 C21 113.08(16) . . ?
C19 C20 C22 111.24(16) . . ?
C21 C20 H20 107.8 . . ?
C22 C20 H20 107.8 . . ?
C22 C20 C21 108.94(16) . . ?
O4 C38 H38A 110.6 . . ?
O4 C38 H38B 110.6 . . ?
O4 C38 C39 105.81(16) . . ?
H38A C38 H38B 108.7 . . ?
C39 C38 H38A 110.6 . . ?
C39 C38 H38B 110.6 . . ?
C15 C23 H23 108.2 . . ?
C15 C23 C25 112.47(17) . . ?
C15 C23 C24 111.01(16) . . ?
C25 C23 H23 108.2 . . ?
C25 C23 C24 108.59(15) . . ?
C24 C23 H23 108.2 . . ?
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 . . ?
C3 C4 H4 119.3 . . ?
C5 C4 C3 121.37(18) . . ?
C5 C4 H4 119.3 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C15 C16 H16 119.1 . . ?
C17 C16 C15 121.85(17) . . ?
C17 C16 H16 119.1 . . ?
C18 C17 H17 120.4 . . ?
C16 C17 C18 119.22(18) . . ?
C16 C17 H17 120.4 . . ?
O4 C41 H41A 110.8 . . ?
O4 C41 H41B 110.8 . . ?
O4 C41 C40 104.90(16) . . ?
H41A C41 H41B 108.8 . . ?
C40 C41 H41A 110.8 . . ?
C40 C41 H41B 110.8 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C41 C40 H40A 111.4 . . ?
C41 C40 H40B 111.4 . . ?
C41 C40 C39 101.86(18) . . ?
H40A C40 H40B 109.3 . . ?
C39 C40 H40A 111.4 . . ?
C39 C40 H40B 111.4 . . ?
C6 C5 H5 120.2 . . ?
C4 C5 C6 119.53(18) . . ?
C4 C5 H5 120.2 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si2 C34 H34A 109.5 . . ?
Si2 C34 H34B 109.5 . . ?
Si2 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si1 C35 H35A 109.5 . . ?
Si1 C35 H35B 109.5 . . ?
Si1 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
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 . . ?
C38 C39 C40 102.14(17) . . ?
C38 C39 H39A 111.3 . . ?
C38 C39 H39B 111.3 . . ?
C40 C39 H39A 111.3 . . ?
C40 C39 H39B 111.3 . . ?
H39A C39 H39B 109.2 . . ?
Si1 C36 H36A 109.5 . . ?
Si1 C36 H36B 109.5 . . ?
Si1 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si2 C32 H32A 109.5 . . ?
Si2 C32 H32B 109.5 . . ?
Si2 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si1 C37 H37A 109.5 . . ?
Si1 C37 H37B 109.5 . . ?
Si1 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si2 C33 H33A 109.5 . . ?
Si2 C33 H33B 109.5 . . ?
Si2 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
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 . . ?

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 O4 C38 C39 178.98(13) . . . . ?
Mg1 O4 C41 C40 -153.81(14) . . . . ?
Mg1 N2 C1 N3 -173.44(14) . . . . ?
Mg1 N2 C1 N1 4.87(13) . . . . ?
Mg1 N2 C14 C19 -73.9(2) . . . . ?
Mg1 N2 C14 C15 99.32(18) . . . . ?
Mg1 N1 C1 N3 173.40(15) . . . . ?
Mg1 N1 C1 N2 -4.81(13) . . . . ?
O4 C38 C39 C40 -29.9(2) . . . . ?
O4 C41 C40 C39 -35.4(2) . . . . ?
N2 C14 C15 C23 10.3(3) . . . . ?
N2 C14 C15 C16 -171.04(16) . . . . ?
C7 C2 N1 Mg1 -80.7(2) . . . . ?
C7 C2 N1 C1 72.4(2) . . . . ?
C7 C2 C3 C11 173.23(17) . . . . ?
C7 C2 C3 C4 -7.2(3) . . . . ?
C7 C6 C5 C4 -3.6(3) . . . . ?
C2 C7 C6 C5 -1.8(3) . . . . ?
C2 C7 C8 C10 -146.27(17) . . . . ?
C2 C7 C8 C9 91.3(2) . . . . ?
C2 N1 C1 N3 10.3(3) . . . . ?
C2 N1 C1 N2 -167.95(15) . . . . ?
C2 C3 C4 C5 1.9(3) . . . . ?
N1 C2 C3 C11 -3.1(3) . . . . ?
N1 C2 C3 C4 176.45(17) . . . . ?
C19 C14 C15 C23 -176.39(16) . . . . ?
C19 C14 C15 C16 2.3(3) . . . . ?
C19 C18 C17 C16 1.1(3) . . . . ?
C1 N3 C26 C28 95.0(2) . . . . ?
C1 N3 C26 C27 -135.9(2) . . . . ?
C1 N3 C29 C30 112.20(18) . . . . ?
C1 N3 C29 C31 -120.38(18) . . . . ?
C1 N2 C14 C19 60.5(2) . . . . ?
C1 N2 C14 C15 -126.28(17) . . . . ?
C11 C3 C4 C5 -178.52(19) . . . . ?
C26 N3 C1 N2 31.2(2) . . . . ?
C26 N3 C1 N1 -146.88(16) . . . . ?
C26 N3 C29 C30 -72.6(2) . . . . ?
C26 N3 C29 C31 54.8(2) . . . . ?
C14 N2 C1 N3 37.1(2) . . . . ?
C14 N2 C1 N1 -144.58(15) . . . . ?
C14 C19 C18 C17 0.3(3) . . . . ?
C14 C19 C20 C21 -149.91(17) . . . . ?
C14 C19 C20 C22 87.1(2) . . . . ?
C14 C15 C23 C25 -118.88(19) . . . . ?
C14 C15 C23 C24 119.23(19) . . . . ?
C14 C15 C16 C17 -1.0(3) . . . . ?
C6 C7 C2 N1 -176.65(17) . . . . ?
C6 C7 C2 C3 7.1(3) . . . . ?
C6 C7 C8 C10 40.2(2) . . . . ?
C6 C7 C8 C9 -82.3(2) . . . . ?
C3 C2 N1 Mg1 95.6(2) . . . . ?
C3 C2 N1 C1 -111.39(19) . . . . ?
C3 C4 C5 C6 3.5(3) . . . . ?
C18 C19 C14 N2 171.36(16) . . . . ?
C18 C19 C14 C15 -1.9(3) . . . . ?
C18 C19 C20 C21 33.7(2) . . . . ?
C18 C19 C20 C22 -89.3(2) . . . . ?
C8 C7 C2 N1 9.8(3) . . . . ?
C8 C7 C2 C3 -166.44(16) . . . . ?
C8 C7 C6 C5 171.91(19) . . . . ?
C15 C16 C17 C18 -0.7(3) . . . . ?
C29 N3 C1 N2 -153.44(15) . . . . ?
C29 N3 C1 N1 28.5(3) . . . . ?
C29 N3 C26 C28 -80.4(2) . . . . ?
C29 N3 C26 C27 48.7(3) . . . . ?
C20 C19 C14 N2 -5.1(3) . . . . ?
C20 C19 C14 C15 -178.35(16) . . . . ?
C20 C19 C18 C17 176.79(18) . . . . ?
C38 O4 C41 C40 17.3(2) . . . . ?
C23 C15 C16 C17 177.72(18) . . . . ?
C16 C15 C23 C25 62.4(2) . . . . ?
C16 C15 C23 C24 -59.5(2) . . . . ?
C41 O4 C38 C39 8.2(2) . . . . ?
C41 C40 C39 C38 39.6(2) . . . . ?
C13 C11 C3 C2 -134.81(18) . . . . ?
C13 C11 C3 C4 45.6(2) . . . . ?
C34 Si2 N4 Si1 74.90(14) . . . . ?
C34 Si2 N4 Mg1 -103.02(11) . . . . ?
C35 Si1 N4 Si2 80.43(13) . . . . ?
C35 Si1 N4 Mg1 -101.72(11) . . . . ?
C12 C11 C3 C2 102.1(2) . . . . ?
C12 C11 C3 C4 -77.5(2) . . . . ?
C36 Si1 N4 Si2 -158.43(11) . . . . ?
C36 Si1 N4 Mg1 19.42(13) . . . . ?
C32 Si2 N4 Si1 -168.72(11) . . . . ?
C32 Si2 N4 Mg1 13.37(13) . . . . ?
C37 Si1 N4 Si2 -39.50(14) . . . . ?
C37 Si1 N4 Mg1 138.34(10) . . . . ?
C33 Si2 N4 Si1 -48.82(15) . . . . ?
C33 Si2 N4 Mg1 133.26(11) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
