# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_intermediate_int_1
_database_code_depnum_ccdc_archive 'CCDC 2494794'
loop_
_audit_author_name
_audit_author_address
'Anubhab Das'
;National Institute of Science Education and Research
India
;
_audit_update_record             
;
2025-10-13 deposited with the CCDC.	2026-03-10 downloaded from the CCDC.
;
_audit_creation_date             2025-10-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            'Magnesium alkoxide complex'
_chemical_name_systematic        Intermediate_Int_1
_chemical_formula_moiety         'C70 H82.50 Mg2 N4 O2'
_chemical_formula_sum            'C70 H82.50 Mg2 N4 O2'
_chemical_formula_weight         1060.52
_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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mg Mg 0.1719 0.1771 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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                   10.6672(2)
_cell_length_b                   12.4690(2)
_cell_length_c                   13.4602(2)
_cell_angle_alpha                70.3430(10)
_cell_angle_beta                 68.974(2)
_cell_angle_gamma                72.7130(10)
_cell_volume                     1541.70(5)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    20387
_cell_measurement_temperature    99.99(10)
_cell_measurement_theta_max      75.0910
_cell_measurement_theta_min      3.6520
_shelx_estimated_absorpt_T_max   0.890
_shelx_estimated_absorpt_T_min   0.872
_exptl_absorpt_coefficient_mu    0.705
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79405
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.89a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic light colourless'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.142
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             570
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0436
_diffrn_reflns_av_unetI/netI     0.0255
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            29965
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.256
_diffrn_reflns_theta_min         3.641
_diffrn_ambient_temperature      99.99(10)
_diffrn_detector_area_resol_mean 5.8140
_diffrn_detector_type            'Pilatus 200K'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -65.00  28.00   0.50    0.99    --  -38.50  82.00  44.00  186
  2  ω    -17.00  75.00   0.50    0.99    --   48.81 -82.00 -77.00  184
  3  ω    103.00 168.00   0.50    3.96    --  102.00  82.00  44.00  130
  4  ω     36.00 128.00   0.50    3.96    --  102.00 -82.00 -77.00  184
  5  ω    -44.00  31.00   0.50    0.99    --  -38.50  19.00  90.00  150
  6  ω    -44.00  31.00   0.50    0.99    --  -38.50  19.00  30.00  150
  7  ω   -101.00 -27.00   0.50    0.99    --  -38.50 -57.00 -90.00  148
  8  ω    -14.00  60.00   0.50    0.99    --   48.81 -57.00 120.00  148
  9  ω     37.00 112.00   0.50    0.99    --   48.81  57.00  60.00  150
 10  ω     28.00  98.00   0.50    0.99    --   48.81-125.00 -60.00  140
 11  ω     99.00 170.00   0.50    3.96    --  102.00  30.00 120.00  142
 12  ω     34.00 106.00   0.50    3.96    --  102.00 -94.00  90.00  144
 13  ω     98.00 167.00   0.50    3.96    --  102.00  45.00-150.00  138
 14  ω     34.00 106.00   0.50    3.96    --  102.00 -94.00-120.00  144
 15  ω     39.00 115.00   0.50    3.96    --  102.00 -61.00  60.00  152
 16  ω    103.00 167.00   0.50    3.96    --  102.00  77.00 -90.00  128
 17  ω     99.00 170.00   0.50    3.96    --  102.00  30.00   0.00  142
 18  ω     38.00 107.00   0.50    3.96    --  102.00 -45.00 -30.00  138
 19  ω     38.00 125.00   0.50    3.96    --  102.00 -77.00  90.00  174
 20  ω     39.00 115.00   0.50    3.96    --  102.00 -61.00 -30.00  152
 21  ω     98.00 167.00   0.50    3.96    --  102.00  45.00-120.00  138
 22  ω    103.00 167.00   0.50    3.96    --  102.00  77.00  30.00  128
 23  ω     38.00 107.00   0.50    3.96    --  102.00 -45.00  90.00  138
 24  ω     39.00 112.00   0.50    3.96    --  102.00-125.00   0.00  146
 25  ω     34.00 106.00   0.50    3.96    --  102.00 -94.00-180.00  144
 26  ω     98.00 167.00   0.50    3.96    --  102.00  45.00 -60.00  138
 27  ω     39.00 115.00   0.50    3.96    --  102.00 -61.00-120.00  152
 28  ω     34.00 106.00   0.50    3.96    --  102.00 -94.00-150.00  144
 29  ω     34.00 106.00   0.50    3.96    --  102.00 -94.00   0.00  144
 30  ω    103.00 167.00   0.50    3.96    --  102.00  77.00-180.00  128
 31  ω     34.00 106.00   0.50    3.96    --  102.00 -94.00 -30.00  144
 32  ω     98.00 167.00   0.50    3.96    --  102.00  45.00 -30.00  138
 33  ω     37.00 112.00   0.50    0.99    --   48.81  57.00 150.00  150
 34  ω     37.00 112.00   0.50    0.99    --   48.81  57.00-150.00  150
 35  ω     37.00 112.00   0.50    0.99    --   48.81  57.00 -30.00  150
 36  ω     37.00 112.00   0.50    0.99    --   48.81  57.00 -90.00  150
 37  ω     37.00 112.00   0.50    0.99    --   48.81  57.00   0.00  150
 38  ω     37.00 112.00   0.50    0.99    --   48.81  57.00-120.00  150
 39  ω     37.00 112.00   0.50    0.99    --   48.81  57.00  90.00  150
 40  ω     98.00 167.00   0.50    3.96    --  102.00  45.00 150.00  138
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'SuperNova, Dual, Cu at home/near, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5894
_reflns_number_total             6263
_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       'CrysAlisPro 1.171.42.89a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.89a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.89a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.437
_refine_diff_density_min         -0.316
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     387
_refine_ls_number_reflns         6263
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0502
_refine_ls_R_factor_gt           0.0481
_refine_ls_restrained_S_all      1.077
_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)+(0.0621P)²+0.9487P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1297
_refine_ls_wR_factor_ref         0.1313
_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. Others
 Fixed Sof: C00Z(0.75) H00P(0.75) H00Q(0.75) C012(0.75) H01G(0.75) H01H(0.75)
 H01I(0.75) C10(0.25) H10A(0.25) H10B(0.25) H10C(0.25) C11(0.25) H11A(0.25)
 H11B(0.25) C4(0.75) H4A(0.75) H4B(0.75) H4C(0.75) C12(0.25)
3.a Ternary CH refined with riding coordinates:
 C1(H1)
3.b Secondary CH2 refined with riding coordinates:
 C00M(H00A,H00B), C00O(H00E,H00G), C00T(H00H,H00I), C00Z(H00P,H00Q), C11(H11A,
 H11B)
3.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C00C(H00C), C00D(H00D), C00F(H00F), C00J(H00J), C00K(H00K),
 C00L(H00L), C00R(H00R), C00U(H00U), C00V(H00V), C00W(H00W), C00X(H00X)
3.d Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C8(H8A,H8B,H8C), C00Y(H00M,H00N,H00O), C010(H01A,H01B,H01C),
 C011(H01D,H01E,H01F), C012(H01G,H01H,H01I), C10(H10A,H10B,H10C), C4(H4A,H4B,
 H4C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.47998(5) 0.45514(4) 0.62021(4) 0.01767(13) Uani 1 1 d . . . . .
O1 O 0.59283(10) 0.55218(9) 0.49266(8) 0.0211(2) Uani 1 1 d . . . . .
N2 N 0.35582(12) 0.51861(11) 0.75276(10) 0.0187(3) Uani 1 1 d . . . . .
N1 N 0.56760(12) 0.30889(11) 0.71920(10) 0.0189(3) Uani 1 1 d . . . . .
C7 C 0.31338(14) 0.44554(13) 0.85068(11) 0.0197(3) Uani 1 1 d . . . . .
C6 C 0.49434(15) 0.26534(13) 0.82133(12) 0.0200(3) Uani 1 1 d . . . . .
C007 C 0.72328(16) 0.15624(13) 0.62777(12) 0.0226(3) Uani 1 1 d . . . . .
C5 C 0.37214(15) 0.32729(13) 0.87864(11) 0.0206(3) Uani 1 1 d . . . . .
H5 H 0.322398 0.282584 0.945831 0.025 Uiso 1 1 calc R U . . .
C009 C 0.30773(15) 0.64079(13) 0.74314(11) 0.0204(3) Uani 1 1 d . . . . .
C00A C 0.70261(15) 0.24429(13) 0.67882(12) 0.0207(3) Uani 1 1 d . . . . .
C00B C 0.20367(15) 0.70354(13) 0.69295(12) 0.0217(3) Uani 1 1 d . . . . .
C00C C 0.16602(16) 0.82384(14) 0.68001(12) 0.0258(3) Uani 1 1 d . . . . .
H00C H 0.095127 0.867522 0.646787 0.031 Uiso 1 1 calc R U . . .
C00D C 0.96715(16) 0.12337(14) 0.60160(13) 0.0276(3) Uani 1 1 d . . . . .
H00D H 1.057196 0.080864 0.576540 0.033 Uiso 1 1 calc R U . . .
C9 C 0.19351(16) 0.49058(15) 0.93931(12) 0.0270(3) Uani 1 1 d . . . . .
H9A H 0.219932 0.544731 0.963044 0.040 Uiso 1 1 calc R U . . .
H9B H 0.167816 0.425203 1.002365 0.040 Uiso 1 1 calc R U . . .
H9C H 0.115359 0.530886 0.909740 0.040 Uiso 1 1 calc R U . . .
C00F C 0.85662(17) 0.09598(14) 0.59138(13) 0.0264(3) Uani 1 1 d . . . . .
H00F H 0.871988 0.034692 0.558799 0.032 Uiso 1 1 calc R U . . .
C00G C 0.81442(16) 0.27371(14) 0.68787(14) 0.0275(3) Uani 1 1 d . . . . .
C00H C 0.83609(16) 0.79184(15) 0.15672(13) 0.0259(3) Uani 1 1 d . . . . .
C00I C 0.37122(16) 0.69643(14) 0.78168(13) 0.0259(3) Uani 1 1 d . . . . .
C00J C 0.94636(17) 0.21253(16) 0.64825(15) 0.0304(4) Uani 1 1 d . . . . .
H00J H 1.022698 0.232449 0.653450 0.036 Uiso 1 1 calc R U . . .
C00K C 0.22961(17) 0.88026(14) 0.71445(13) 0.0278(3) Uani 1 1 d . . . . .
H00K H 0.204367 0.962272 0.703128 0.033 Uiso 1 1 calc R U . . .
C00L C 0.33132(17) 0.81633(15) 0.76605(14) 0.0293(4) Uani 1 1 d . . . . .
H00L H 0.373893 0.855284 0.790847 0.035 Uiso 1 1 calc R U . . .
C00M C 0.13090(17) 0.64485(14) 0.65445(14) 0.0271(3) Uani 1 1 d . . . . .
H00A H 0.166905 0.559965 0.673524 0.033 Uiso 1 1 calc R U . . .
H00B H 0.152372 0.672196 0.573223 0.033 Uiso 1 1 calc R U . . .
C3 C 0.79153(17) 0.72193(15) 0.26718(13) 0.0280(3) Uani 1 1 d . . . . .
C00O C 0.60459(18) 0.13148(16) 0.60853(15) 0.0320(4) Uani 1 1 d . . . . .
H00E H 0.519351 0.156475 0.663843 0.038 Uiso 1 1 calc R U . . .
H00G H 0.596348 0.179883 0.535019 0.038 Uiso 1 1 calc R U . . .
C1 C 0.70210(19) 0.60354(18) 0.47675(13) 0.0329(4) Uani 1 1 d . . . . .
H1 H 0.779264 0.538657 0.493864 0.040 Uiso 1 1 calc R U . A 1
C8 C 0.54161(18) 0.14203(14) 0.88345(14) 0.0301(4) Uani 1 1 d . . . . .
H8A H 0.528889 0.087266 0.851707 0.045 Uiso 1 1 calc R U . . .
H8B H 0.487693 0.129566 0.961130 0.045 Uiso 1 1 calc R U . . .
H8C H 0.638844 0.129486 0.877716 0.045 Uiso 1 1 calc R U . . .
C00R C 0.78174(18) 0.91037(16) 0.13053(15) 0.0334(4) Uani 1 1 d . . . . .
H00R H 0.717283 0.945439 0.186475 0.040 Uiso 1 1 calc R U . . .
C2 C 0.75173(18) 0.66670(17) 0.36027(14) 0.0316(4) Uani 1 1 d . . . . .
C00T C 0.47929(18) 0.62527(16) 0.84059(15) 0.0324(4) Uani 1 1 d . . . . .
H00H H 0.432229 0.584947 0.916220 0.039 Uiso 1 1 calc R U . . .
H00I H 0.538159 0.564823 0.802010 0.039 Uiso 1 1 calc R U . . .
C00U C 0.93305(17) 0.74173(16) 0.07392(14) 0.0310(4) Uani 1 1 d . . . . .
H00U H 0.972904 0.661236 0.091206 0.037 Uiso 1 1 calc R U . . .
C00V C 0.9710(2) 0.80928(18) -0.03312(15) 0.0379(4) Uani 1 1 d . . . . .
H00V H 1.035938 0.774687 -0.089216 0.045 Uiso 1 1 calc R U . . .
C00W C 0.8207(2) 0.97757(18) 0.02377(17) 0.0424(5) Uani 1 1 d . . . . .
H00W H 0.783333 1.058580 0.006636 0.051 Uiso 1 1 calc R U . . .
C00X C 0.9149(2) 0.92664(19) -0.05882(15) 0.0421(5) Uani 1 1 d . . . . .
H00X H 0.940323 0.972501 -0.132537 0.050 Uiso 1 1 calc R U . . .
C00Y C 0.5707(2) 0.69336(17) 0.84820(17) 0.0390(4) Uani 1 1 d . . . . .
H00M H 0.614505 0.737166 0.774185 0.058 Uiso 1 1 calc R U . . .
H00N H 0.641400 0.639455 0.881572 0.058 Uiso 1 1 calc R U . . .
H00O H 0.515360 0.747406 0.893737 0.058 Uiso 1 1 calc R U . . .
C00Z C 0.7963(3) 0.3754(3) 0.7323(3) 0.0239(6) Uani 0.75 1 d . . P B 1
H00P H 0.727418 0.440397 0.704111 0.029 Uiso 0.75 1 calc R U P B 1
H00Q H 0.884207 0.401978 0.704942 0.029 Uiso 0.75 1 calc R U P B 1
C010 C -0.0244(2) 0.6677(2) 0.70424(19) 0.0480(5) Uani 1 1 d . . . . .
H01A H -0.061807 0.751078 0.681674 0.072 Uiso 1 1 calc R U . . .
H01B H -0.046773 0.642000 0.784752 0.072 Uiso 1 1 calc R U . . .
H01C H -0.064361 0.624698 0.678270 0.072 Uiso 1 1 calc R U . . .
C011 C 0.6138(2) 0.0070(2) 0.6142(3) 0.0577(6) Uani 1 1 d . . . . .
H01D H 0.694397 -0.017694 0.556531 0.087 Uiso 1 1 calc R U . . .
H01E H 0.530980 -0.000145 0.603108 0.087 Uiso 1 1 calc R U . . .
H01F H 0.622018 -0.042327 0.686499 0.087 Uiso 1 1 calc R U . . .
C012 C 0.7505(3) 0.3451(3) 0.8574(3) 0.0320(6) Uani 0.75 1 d . . P B 1
H01G H 0.751137 0.410302 0.882175 0.048 Uiso 0.75 1 calc R U P B 1
H01H H 0.813254 0.275787 0.885969 0.048 Uiso 0.75 1 calc R U P B 1
H01I H 0.657506 0.329613 0.884689 0.048 Uiso 0.75 1 calc R U P B 1
C10 C 0.7637(10) 0.2879(11) 0.8965(8) 0.040(2) Uani 0.25 1 d . . P B 2
H10A H 0.828371 0.213625 0.908709 0.060 Uiso 0.25 1 calc R U P B 2
H10B H 0.669720 0.274432 0.927939 0.060 Uiso 0.25 1 calc R U P B 2
H10C H 0.775663 0.339504 0.932174 0.060 Uiso 0.25 1 calc R U P B 2
C11 C 0.7900(12) 0.3429(11) 0.7762(9) 0.032(2) Uani 0.25 1 d . . P B 2
H11A H 0.871500 0.377826 0.752931 0.038 Uiso 0.25 1 calc R U P B 2
H11B H 0.711644 0.408412 0.767349 0.038 Uiso 0.25 1 calc R U P B 2
C4 C 0.6716(2) 0.6796(2) 0.54969(17) 0.0275(4) Uani 0.75 1 d . . P C 1
H4A H 0.600571 0.747413 0.531946 0.041 Uiso 0.75 1 calc R U P C 1
H4B H 0.754983 0.705345 0.538897 0.041 Uiso 0.75 1 calc R U P C 1
H4C H 0.639187 0.636372 0.626612 0.041 Uiso 0.75 1 calc R U P C 1
C12 C 0.7996(10) 0.5635(9) 0.5279(8) 0.056(3) Uani 0.25 1 d . . P C 2


_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 Mg1 2.9602(9) 2_666 ?
Mg1 O1 1.9753(11) 2_666 ?
Mg1 O1 1.9611(11) . ?
Mg1 N2 2.0481(12) . ?
Mg1 N1 2.0544(13) . ?
O1 C1 1.4096(19) . ?
N2 C7 1.3347(19) . ?
N2 C009 1.4323(19) . ?
N1 C6 1.3321(19) . ?
N1 C00A 1.4358(18) . ?
C7 C5 1.398(2) . ?
C7 C9 1.5175(19) . ?
C6 C5 1.404(2) . ?
C6 C8 1.515(2) . ?
C007 C00A 1.408(2) . ?
C007 C00F 1.393(2) . ?
C007 C00O 1.512(2) . ?
C5 H5 0.9500 . ?
C009 C00B 1.403(2) . ?
C009 C00I 1.408(2) . ?
C00A C00G 1.402(2) . ?
C00B C00C 1.399(2) . ?
C00B C00M 1.513(2) . ?
C00C H00C 0.9500 . ?
C00C C00K 1.378(2) . ?
C00D H00D 0.9500 . ?
C00D C00F 1.383(2) . ?
C00D C00J 1.379(2) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C00F H00F 0.9500 . ?
C00G C00J 1.394(2) . ?
C00G C00Z 1.511(4) . ?
C00G C11 1.601(12) . ?
C00H C3 1.437(2) . ?
C00H C00R 1.390(3) . ?
C00H C00U 1.400(2) . ?
C00I C00L 1.391(2) . ?
C00I C00T 1.523(2) . ?
C00J H00J 0.9500 . ?
C00K H00K 0.9500 . ?
C00K C00L 1.396(2) . ?
C00L H00L 0.9500 . ?
C00M H00A 0.9900 . ?
C00M H00B 0.9900 . ?
C00M C010 1.525(3) . ?
C3 C2 1.198(2) . ?
C00O H00E 0.9900 . ?
C00O H00G 0.9900 . ?
C00O C011 1.504(3) . ?
C1 H1 1.0000 . ?
C1 C2 1.476(2) . ?
C1 C4 1.477(3) . ?
C1 C12 1.334(8) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C00R H00R 0.9500 . ?
C00R C00W 1.381(3) . ?
C00T H00H 0.9900 . ?
C00T H00I 0.9900 . ?
C00T C00Y 1.518(3) . ?
C00U H00U 0.9500 . ?
C00U C00V 1.384(2) . ?
C00V H00V 0.9500 . ?
C00V C00X 1.381(3) . ?
C00W H00W 0.9500 . ?
C00W C00X 1.394(3) . ?
C00X H00X 0.9500 . ?
C00Y H00M 0.9800 . ?
C00Y H00N 0.9800 . ?
C00Y H00O 0.9800 . ?
C00Z H00P 0.9900 . ?
C00Z H00Q 0.9900 . ?
C00Z C012 1.519(4) . ?
C010 H01A 0.9800 . ?
C010 H01B 0.9800 . ?
C010 H01C 0.9800 . ?
C011 H01D 0.9800 . ?
C011 H01E 0.9800 . ?
C011 H01F 0.9800 . ?
C012 H01G 0.9800 . ?
C012 H01H 0.9800 . ?
C012 H01I 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C10 C11 1.488(14) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 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
O1 Mg1 Mg1 41.05(3) 2_666 2_666 ?
O1 Mg1 Mg1 41.42(3) . 2_666 ?
O1 Mg1 O1 82.47(5) . 2_666 ?
O1 Mg1 N2 120.48(5) . . ?
O1 Mg1 N2 121.86(5) 2_666 . ?
O1 Mg1 N1 122.46(5) 2_666 . ?
O1 Mg1 N1 121.25(5) . . ?
N2 Mg1 Mg1 133.49(4) . 2_666 ?
N2 Mg1 N1 91.92(5) . . ?
N1 Mg1 Mg1 134.57(4) . 2_666 ?
Mg1 O1 Mg1 97.53(5) . 2_666 ?
C1 O1 Mg1 128.01(9) . 2_666 ?
C1 O1 Mg1 134.17(9) . . ?
C7 N2 Mg1 120.08(10) . . ?
C7 N2 C009 118.05(12) . . ?
C009 N2 Mg1 121.83(9) . . ?
C6 N1 Mg1 119.92(10) . . ?
C6 N1 C00A 117.77(12) . . ?
C00A N1 Mg1 122.05(9) . . ?
N2 C7 C5 124.25(13) . . ?
N2 C7 C9 119.43(13) . . ?
C5 C7 C9 116.32(13) . . ?
N1 C6 C5 124.07(13) . . ?
N1 C6 C8 120.25(13) . . ?
C5 C6 C8 115.69(13) . . ?
C00A C007 C00O 120.78(14) . . ?
C00F C007 C00A 118.22(14) . . ?
C00F C007 C00O 120.94(14) . . ?
C7 C5 C6 129.09(13) . . ?
C7 C5 H5 115.5 . . ?
C6 C5 H5 115.5 . . ?
C00B C009 N2 120.60(13) . . ?
C00B C009 C00I 121.19(14) . . ?
C00I C009 N2 118.16(13) . . ?
C007 C00A N1 121.02(13) . . ?
C00G C00A N1 118.41(13) . . ?
C00G C00A C007 120.53(14) . . ?
C009 C00B C00M 122.01(14) . . ?
C00C C00B C009 118.25(14) . . ?
C00C C00B C00M 119.73(14) . . ?
C00B C00C H00C 119.3 . . ?
C00K C00C C00B 121.38(15) . . ?
C00K C00C H00C 119.3 . . ?
C00F C00D H00D 120.1 . . ?
C00J C00D H00D 120.1 . . ?
C00J C00D C00F 119.86(14) . . ?
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 . . ?
C007 C00F H00F 119.3 . . ?
C00D C00F C007 121.48(15) . . ?
C00D C00F H00F 119.3 . . ?
C00A C00G C00Z 121.54(18) . . ?
C00A C00G C11 119.6(4) . . ?
C00J C00G C00A 119.18(15) . . ?
C00J C00G C00Z 119.14(18) . . ?
C00J C00G C11 118.0(4) . . ?
C00R C00H C3 120.13(15) . . ?
C00R C00H C00U 119.14(15) . . ?
C00U C00H C3 120.73(16) . . ?
C009 C00I C00T 120.03(14) . . ?
C00L C00I C009 118.49(15) . . ?
C00L C00I C00T 121.48(15) . . ?
C00D C00J C00G 120.66(15) . . ?
C00D C00J H00J 119.7 . . ?
C00G C00J H00J 119.7 . . ?
C00C C00K H00K 120.2 . . ?
C00C C00K C00L 119.69(15) . . ?
C00L C00K H00K 120.2 . . ?
C00I C00L C00K 120.96(16) . . ?
C00I C00L H00L 119.5 . . ?
C00K C00L H00L 119.5 . . ?
C00B C00M H00A 108.8 . . ?
C00B C00M H00B 108.8 . . ?
C00B C00M C010 113.82(14) . . ?
H00A C00M H00B 107.7 . . ?
C010 C00M H00A 108.8 . . ?
C010 C00M H00B 108.8 . . ?
C2 C3 C00H 177.9(2) . . ?
C007 C00O H00E 108.3 . . ?
C007 C00O H00G 108.3 . . ?
H00E C00O H00G 107.4 . . ?
C011 C00O C007 115.93(16) . . ?
C011 C00O H00E 108.3 . . ?
C011 C00O H00G 108.3 . . ?
O1 C1 H1 106.9 . . ?
O1 C1 C2 110.82(13) . . ?
O1 C1 C4 114.50(15) . . ?
C2 C1 H1 106.9 . . ?
C2 C1 C4 110.46(16) . . ?
C4 C1 H1 106.9 . . ?
C12 C1 O1 128.2(4) . . ?
C12 C1 C2 112.9(4) . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C00H C00R H00R 119.7 . . ?
C00W C00R C00H 120.51(17) . . ?
C00W C00R H00R 119.7 . . ?
C3 C2 C1 177.26(19) . . ?
C00I C00T H00H 108.4 . . ?
C00I C00T H00I 108.4 . . ?
H00H C00T H00I 107.4 . . ?
C00Y C00T C00I 115.67(15) . . ?
C00Y C00T H00H 108.4 . . ?
C00Y C00T H00I 108.4 . . ?
C00H C00U H00U 119.9 . . ?
C00V C00U C00H 120.11(17) . . ?
C00V C00U H00U 119.9 . . ?
C00U C00V H00V 119.8 . . ?
C00X C00V C00U 120.39(17) . . ?
C00X C00V H00V 119.8 . . ?
C00R C00W H00W 120.0 . . ?
C00R C00W C00X 120.07(18) . . ?
C00X C00W H00W 120.0 . . ?
C00V C00X C00W 119.76(17) . . ?
C00V C00X H00X 120.1 . . ?
C00W C00X H00X 120.1 . . ?
C00T C00Y H00M 109.5 . . ?
C00T C00Y H00N 109.5 . . ?
C00T C00Y H00O 109.5 . . ?
H00M C00Y H00N 109.5 . . ?
H00M C00Y H00O 109.5 . . ?
H00N C00Y H00O 109.5 . . ?
C00G C00Z H00P 109.1 . . ?
C00G C00Z H00Q 109.1 . . ?
C00G C00Z C012 112.6(2) . . ?
H00P C00Z H00Q 107.8 . . ?
C012 C00Z H00P 109.1 . . ?
C012 C00Z H00Q 109.1 . . ?
C00M C010 H01A 109.5 . . ?
C00M C010 H01B 109.5 . . ?
C00M C010 H01C 109.5 . . ?
H01A C010 H01B 109.5 . . ?
H01A C010 H01C 109.5 . . ?
H01B C010 H01C 109.5 . . ?
C00O C011 H01D 109.5 . . ?
C00O C011 H01E 109.5 . . ?
C00O C011 H01F 109.5 . . ?
H01D C011 H01E 109.5 . . ?
H01D C011 H01F 109.5 . . ?
H01E C011 H01F 109.5 . . ?
C00Z C012 H01G 109.5 . . ?
C00Z C012 H01H 109.5 . . ?
C00Z C012 H01I 109.5 . . ?
H01G C012 H01H 109.5 . . ?
H01G C012 H01I 109.5 . . ?
H01H C012 H01I 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C11 C10 H10A 109.5 . . ?
C11 C10 H10B 109.5 . . ?
C11 C10 H10C 109.5 . . ?
C00G C11 H11A 106.5 . . ?
C00G C11 H11B 106.5 . . ?
C10 C11 C00G 123.4(9) . . ?
C10 C11 H11A 106.5 . . ?
C10 C11 H11B 106.5 . . ?
H11A C11 H11B 106.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 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 O1 C1 C2 6.3(2) 2_666 . . . ?
Mg1 O1 C1 C2 178.66(11) . . . . ?
Mg1 O1 C1 C4 132.07(14) 2_666 . . . ?
Mg1 O1 C1 C4 -55.6(2) . . . . ?
Mg1 O1 C1 C12 -139.6(7) 2_666 . . . ?
Mg1 O1 C1 C12 32.7(7) . . . . ?
Mg1 N2 C7 C5 16.06(19) . . . . ?
Mg1 N2 C7 C9 -163.70(11) . . . . ?
Mg1 N2 C009 C00B 74.65(16) . . . . ?
Mg1 N2 C009 C00I -103.04(14) . . . . ?
Mg1 N1 C6 C5 -17.49(19) . . . . ?
Mg1 N1 C6 C8 162.87(11) . . . . ?
Mg1 N1 C00A C007 -86.77(16) . . . . ?
Mg1 N1 C00A C00G 90.99(15) . . . . ?
N2 C7 C5 C6 10.7(3) . . . . ?
N2 C009 C00B C00C -176.38(13) . . . . ?
N2 C009 C00B C00M 4.5(2) . . . . ?
N2 C009 C00I C00L 175.81(14) . . . . ?
N2 C009 C00I C00T -5.1(2) . . . . ?
N1 C6 C5 C7 -9.8(3) . . . . ?
N1 C00A C00G C00J -179.47(15) . . . . ?
N1 C00A C00G C00Z -3.7(3) . . . . ?
N1 C00A C00G C11 21.2(5) . . . . ?
C7 N2 C009 C00B -102.95(16) . . . . ?
C7 N2 C009 C00I 79.36(17) . . . . ?
C6 N1 C00A C007 87.26(17) . . . . ?
C6 N1 C00A C00G -94.98(17) . . . . ?
C007 C00A C00G C00J -1.7(2) . . . . ?
C007 C00A C00G C00Z 174.04(19) . . . . ?
C007 C00A C00G C11 -161.1(5) . . . . ?
C009 N2 C7 C5 -166.29(14) . . . . ?
C009 N2 C7 C9 13.9(2) . . . . ?
C009 C00B C00C C00K 0.6(2) . . . . ?
C009 C00B C00M C010 123.60(17) . . . . ?
C009 C00I C00L C00K 0.7(2) . . . . ?
C009 C00I C00T C00Y 162.36(16) . . . . ?
C00A N1 C6 C5 168.35(14) . . . . ?
C00A N1 C6 C8 -11.3(2) . . . . ?
C00A C007 C00F C00D -1.9(2) . . . . ?
C00A C007 C00O C011 -147.51(18) . . . . ?
C00A C00G C00J C00D -0.6(3) . . . . ?
C00A C00G C00Z C012 81.8(3) . . . . ?
C00A C00G C11 C10 75.5(10) . . . . ?
C00B C009 C00I C00L -1.9(2) . . . . ?
C00B C009 C00I C00T 177.18(14) . . . . ?
C00B C00C C00K C00L -1.7(2) . . . . ?
C00C C00B C00M C010 -55.5(2) . . . . ?
C00C C00K C00L C00I 1.1(3) . . . . ?
C9 C7 C5 C6 -169.56(15) . . . . ?
C00F C007 C00A N1 -179.36(13) . . . . ?
C00F C007 C00A C00G 2.9(2) . . . . ?
C00F C007 C00O C011 35.2(2) . . . . ?
C00F C00D C00J C00G 1.6(3) . . . . ?
C00H C00R C00W C00X 0.2(3) . . . . ?
C00H C00U C00V C00X 0.8(3) . . . . ?
C00I C009 C00B C00C 1.2(2) . . . . ?
C00I C009 C00B C00M -177.91(14) . . . . ?
C00J C00D C00F C007 -0.3(3) . . . . ?
C00J C00G C00Z C012 -102.5(3) . . . . ?
C00J C00G C11 C10 -84.1(10) . . . . ?
C00L C00I C00T C00Y -18.6(2) . . . . ?
C00M C00B C00C C00K 179.75(15) . . . . ?
C3 C00H C00R C00W -177.91(17) . . . . ?
C3 C00H C00U C00V 177.39(16) . . . . ?
C00O C007 C00A N1 3.3(2) . . . . ?
C00O C007 C00A C00G -174.43(15) . . . . ?
C00O C007 C00F C00D 175.42(15) . . . . ?
C8 C6 C5 C7 169.87(15) . . . . ?
C00R C00H C00U C00V -1.8(3) . . . . ?
C00R C00W C00X C00V -1.3(3) . . . . ?
C00T C00I C00L C00K -178.33(16) . . . . ?
C00U C00H C00R C00W 1.3(3) . . . . ?
C00U C00V C00X C00W 0.7(3) . . . . ?
C00Z C00G C00J C00D -176.4(2) . . . . ?
C11 C00G C00J C00D 159.1(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Benzene-d6'
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
