# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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. 
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#######################################################################

data_cu_0935_4_0m
_database_code_depnum_ccdc_archive 'CCDC 2512426'
loop_
_audit_author_name
_audit_author_address
'Dong Dong Yang'
;Shanxi Datong University
China
;
_audit_update_record             
;
2025-12-01 deposited with the CCDC.	2026-03-13 downloaded from the CCDC.
;
_audit_creation_date             2024-12-27
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C21 H23 Mg N O11, C3 H7 N O'
_chemical_formula_sum            'C24 H30 Mg N2 O12'
_chemical_formula_weight         562.81
_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.0321(4)
_cell_length_b                   11.6365(4)
_cell_length_c                   17.8422(6)
_cell_angle_alpha                90
_cell_angle_beta                 107.123(2)
_cell_angle_gamma                90
_cell_volume                     2585.80(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6370
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      68.537
_cell_measurement_theta_min      3.549
_shelx_estimated_absorpt_T_max   0.869
_shelx_estimated_absorpt_T_min   0.812
_exptl_absorpt_coefficient_mu    1.204
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6428
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1768 before and 0.0869 after correction.
The Ratio of minimum to maximum transmission is 0.8535.
The λ/2 correction factor is Not present.
;
_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    1.446
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0401
_diffrn_reflns_av_unetI/netI     0.0399
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            15876
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.531
_diffrn_reflns_theta_min         3.549
_diffrn_ambient_temperature      193.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.1
_diffrn_source_power             0.05500000000000001
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4093
_reflns_number_total             4724
_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 V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.778
_refine_diff_density_min         -0.528
_refine_diff_density_rms         0.076
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     365
_refine_ls_number_reflns         4724
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0709
_refine_ls_R_factor_gt           0.0624
_refine_ls_restrained_S_all      1.100
_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)+(0.0477P)²+6.2914P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1553
_refine_ls_wR_factor_ref         0.1601
_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, All O(H,H) groups
2. Restrained distances
 Mg1-H7A \\sim Mg1-H7B
 with sigma of 0.02
 Mg1-H8A \\sim Mg1-H8B
 with sigma of 0.02
 Mg1-H11A \\sim Mg1-H11B
 with sigma of 0.02
3.a Free rotating group:
 O7(H7A,H7B), O8(H8A,H8B), O11(H11A,H11B)
3.b Rotating group:
 O9(H9A,H9B), O10(H10A,H10B)
3.c Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B)
3.d Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C16(H16),
 C18(H18), C19(H19), C20(H20), C24(H24)
3.e Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C23(H23A,H23B,H23C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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 0.12039(7) 0.50705(7) 0.87205(5) 0.0163(2) Uani 1 1 d D . . . .
O1 O 0.86284(19) 0.79364(17) 0.42711(13) 0.0261(5) Uani 1 1 d . . . . .
N1 N 0.7527(2) 0.4846(2) 0.74917(14) 0.0235(6) Uani 1 1 d . . . . .
C1 C 0.8834(2) 0.7038(2) 0.39496(17) 0.0183(6) Uani 1 1 d . . . . .
O2 O 0.91540(19) 0.70403(18) 0.33476(12) 0.0267(5) Uani 1 1 d . . . . .
C2 C 0.8703(2) 0.5888(2) 0.43043(16) 0.0176(6) Uani 1 1 d . . . . .
O3 O 0.9271(2) 0.27538(19) 0.33195(13) 0.0340(6) Uani 1 1 d . . . . .
C3 C 0.8858(2) 0.4866(2) 0.39484(16) 0.0176(6) Uani 1 1 d . . . . .
H3 H 0.902458 0.488583 0.346467 0.021 Uiso 1 1 calc R U . . .
O4 O 0.8833(2) 0.17757(17) 0.42420(13) 0.0291(5) Uani 1 1 d . . . . .
C4 C 0.8771(2) 0.3813(2) 0.42964(16) 0.0173(6) Uani 1 1 d . . . . .
O5 O 0.3590(2) 0.3755(3) 0.8845(2) 0.0658(11) Uani 1 1 d . . . . .
C5 C 0.8532(2) 0.3790(2) 0.50070(16) 0.0187(6) Uani 1 1 d . . . . .
H5 H 0.846767 0.307266 0.524391 0.022 Uiso 1 1 calc R U . . .
O6 O 0.24153(17) 0.50735(19) 0.82331(13) 0.0281(5) Uani 1 1 d . . . . .
C6 C 0.8384(2) 0.4807(2) 0.53742(16) 0.0180(6) Uani 1 1 d . . . . .
O7 O 0.07429(18) 0.65947(17) 0.81508(12) 0.0243(5) Uani 1 1 d G . . . .
H7A H 0.023202 0.702316 0.822071 0.036 Uiso 1 1 d DG U . . .
H7B H 0.070354 0.668974 0.765972 0.036 Uiso 1 1 d DG U . . .
C7 C 0.8136(2) 0.4799(2) 0.61305(17) 0.0192(6) Uani 1 1 d . . . . .
O8 O 0.21113(18) 0.5909(2) 0.97307(13) 0.0297(5) Uani 1 1 d G . . . .
H8A H 0.186135 0.622076 1.008423 0.045 Uiso 1 1 d DG U . . .
H8B H 0.274271 0.621640 0.980889 0.045 Uiso 1 1 d DG U . . .
C8 C 0.8350(2) 0.5746(3) 0.66313(17) 0.0221(6) Uani 1 1 d . . . . .
H8 H 0.871640 0.639181 0.650766 0.027 Uiso 1 1 calc R U . . .
O9 O 0.17746(18) 0.35165(17) 0.92999(13) 0.0252(5) Uani 1 1 d . . . . .
H9A H 0.243790 0.340984 0.930521 0.038 Uiso 1 1 d R U . . .
H9B H 0.180552 0.357536 0.979262 0.038 Uiso 1 1 d R U . . .
C9 C 0.8036(2) 0.5755(3) 0.73018(18) 0.0256(7) Uani 1 1 d . . . . .
H9 H 0.818049 0.640962 0.763452 0.031 Uiso 1 1 calc R U . . .
O10 O 0.02378(17) 0.40829(17) 0.78093(12) 0.0229(5) Uani 1 1 d . . . . .
H10A H 0.062864 0.379286 0.753648 0.034 Uiso 1 1 d R U . . .
H10B H -0.000021 0.348878 0.800320 0.034 Uiso 1 1 d R U . . .
C10 C 0.7660(3) 0.3848(3) 0.63708(18) 0.0245(6) Uani 1 1 d . . . . .
H10 H 0.754518 0.316335 0.606690 0.029 Uiso 1 1 calc R U . . .
O11 O -0.01034(17) 0.51644(17) 0.91287(13) 0.0229(5) Uani 1 1 d G . . . .
H11A H -0.047554 0.458422 0.921295 0.034 Uiso 1 1 d DG U . . .
H11B H -0.044185 0.576582 0.922274 0.034 Uiso 1 1 d DG U . . .
C11 C 0.7360(3) 0.3899(3) 0.70443(18) 0.0271(7) Uani 1 1 d . . . . .
H11 H 0.702643 0.325048 0.719725 0.032 Uiso 1 1 calc R U . . .
C12 C 0.8472(2) 0.5851(2) 0.50128(17) 0.0187(6) Uani 1 1 d . . . . .
H12 H 0.837108 0.654950 0.525775 0.022 Uiso 1 1 calc R U . . .
C13 C 0.8974(2) 0.2699(2) 0.39241(17) 0.0200(6) Uani 1 1 d . . . . .
C14 C 0.7043(3) 0.4938(3) 0.81471(18) 0.0313(8) Uani 1 1 d . . . . .
H14A H 0.741435 0.554767 0.851407 0.038 Uiso 1 1 calc R U . . .
H14B H 0.714001 0.420239 0.843874 0.038 Uiso 1 1 calc R U . . .
C15 C 0.5856(3) 0.5217(3) 0.78394(18) 0.0303(7) Uani 1 1 d . . . . .
C16 C 0.5143(3) 0.4712(3) 0.81891(18) 0.0279(7) Uani 1 1 d . . . . .
H16 H 0.539328 0.414770 0.858569 0.034 Uiso 1 1 calc R U . . .
C17 C 0.4066(3) 0.5030(3) 0.79605(19) 0.0278(7) Uani 1 1 d . . . . .
C18 C 0.3695(3) 0.5820(3) 0.7354(2) 0.0345(8) Uani 1 1 d . . . . .
H18 H 0.295983 0.603888 0.719353 0.041 Uiso 1 1 calc R U . . .
C19 C 0.4395(3) 0.6287(4) 0.6984(2) 0.0443(10) Uani 1 1 d . . . . .
H19 H 0.413504 0.680428 0.655834 0.053 Uiso 1 1 calc R U . . .
C20 C 0.5475(3) 0.6000(4) 0.7236(2) 0.0411(9) Uani 1 1 d . . . . .
H20 H 0.595731 0.634373 0.699411 0.049 Uiso 1 1 calc R U . . .
C21 C 0.3300(3) 0.4563(3) 0.83813(19) 0.0284(7) Uani 1 1 d . . . . .
N2 N 0.5238(3) 0.7826(4) 0.9568(2) 0.0578(10) Uani 1 1 d . . . . .
O12 O 0.3971(2) 0.7104(3) 1.00822(19) 0.0584(8) Uani 1 1 d . . . . .
C22 C 0.5638(6) 0.8607(5) 1.0201(4) 0.0862(19) Uani 1 1 d . . . . .
H22A H 0.621053 0.823468 1.061288 0.129 Uiso 1 1 calc R U . . .
H22B H 0.505525 0.883193 1.041390 0.129 Uiso 1 1 calc R U . . .
H22C H 0.592517 0.929070 1.001255 0.129 Uiso 1 1 calc R U . . .
C23 C 0.5775(5) 0.7780(7) 0.8981(4) 0.091(2) Uani 1 1 d . . . . .
H23A H 0.588034 0.856174 0.881341 0.137 Uiso 1 1 calc R U . . .
H23B H 0.534119 0.733987 0.853063 0.137 Uiso 1 1 calc R U . . .
H23C H 0.647440 0.740602 0.919495 0.137 Uiso 1 1 calc R U . . .
C24 C 0.4450(4) 0.7105(5) 0.9598(4) 0.0710(15) Uani 1 1 d . . . . .
H24 H 0.424852 0.653727 0.919900 0.085 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mg1 O6 2.014(2) . ?
Mg1 O7 2.045(2) . ?
Mg1 O8 2.084(2) . ?
Mg1 O9 2.107(2) . ?
Mg1 O10 2.084(2) . ?
Mg1 O11 2.043(2) . ?
O1 C1 1.258(3) . ?
N1 C9 1.344(4) . ?
N1 C11 1.341(4) . ?
N1 C14 1.487(4) . ?
C1 O2 1.262(3) . ?
C1 C2 1.512(4) . ?
C2 C3 1.391(4) . ?
C2 C12 1.384(4) . ?
O3 C13 1.251(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.394(4) . ?
O4 C13 1.253(4) . ?
C4 C5 1.392(4) . ?
C4 C13 1.514(4) . ?
O5 C21 1.236(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.393(4) . ?
O6 C21 1.254(4) . ?
C6 C7 1.477(4) . ?
C6 C12 1.396(4) . ?
O7 H7A 0.8697 . ?
O7 H7B 0.8696 . ?
C7 C8 1.394(4) . ?
C7 C10 1.397(4) . ?
O8 H8A 0.8699 . ?
O8 H8B 0.8700 . ?
C8 H8 0.9500 . ?
C8 C9 1.374(4) . ?
O9 H9A 0.8706 . ?
O9 H9B 0.8708 . ?
C9 H9 0.9500 . ?
O10 H10A 0.8696 . ?
O10 H10B 0.8701 . ?
C10 H10 0.9500 . ?
C10 C11 1.371(4) . ?
O11 H11A 0.8698 . ?
O11 H11B 0.8696 . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.517(4) . ?
C15 C16 1.392(5) . ?
C15 C20 1.386(5) . ?
C16 H16 0.9500 . ?
C16 C17 1.392(5) . ?
C17 C18 1.394(5) . ?
C17 C21 1.515(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.384(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.386(5) . ?
C20 H20 0.9500 . ?
N2 C22 1.424(7) . ?
N2 C23 1.421(6) . ?
N2 C24 1.340(7) . ?
O12 C24 1.205(6) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24 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
O6 Mg1 O7 86.37(9) . . ?
O6 Mg1 O8 93.17(10) . . ?
O6 Mg1 O9 90.28(9) . . ?
O6 Mg1 O10 91.97(10) . . ?
O6 Mg1 O11 174.56(10) . . ?
O7 Mg1 O8 91.88(10) . . ?
O7 Mg1 O9 176.44(10) . . ?
O7 Mg1 O10 93.95(9) . . ?
O8 Mg1 O9 87.08(10) . . ?
O10 Mg1 O8 172.46(10) . . ?
O10 Mg1 O9 87.39(9) . . ?
O11 Mg1 O7 88.69(9) . . ?
O11 Mg1 O8 89.26(9) . . ?
O11 Mg1 O9 94.70(9) . . ?
O11 Mg1 O10 86.10(9) . . ?
C9 N1 C14 119.8(3) . . ?
C11 N1 C9 120.2(3) . . ?
C11 N1 C14 119.7(3) . . ?
O1 C1 O2 123.7(3) . . ?
O1 C1 C2 118.6(2) . . ?
O2 C1 C2 117.7(2) . . ?
C3 C2 C1 121.1(2) . . ?
C12 C2 C1 119.4(2) . . ?
C12 C2 C3 119.4(3) . . ?
C2 C3 H3 119.8 . . ?
C2 C3 C4 120.4(3) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 C13 120.6(2) . . ?
C5 C4 C3 119.5(3) . . ?
C5 C4 C13 119.8(2) . . ?
C4 C5 H5 119.6 . . ?
C4 C5 C6 120.7(3) . . ?
C6 C5 H5 119.6 . . ?
C21 O6 Mg1 134.2(2) . . ?
C5 C6 C7 121.5(3) . . ?
C5 C6 C12 118.7(2) . . ?
C12 C6 C7 119.8(3) . . ?
Mg1 O7 H7A 123.5 . . ?
Mg1 O7 H7B 122.2 . . ?
H7A O7 H7B 104.5 . . ?
C8 C7 C6 121.6(3) . . ?
C8 C7 C10 117.0(3) . . ?
C10 C7 C6 121.4(3) . . ?
Mg1 O8 H8A 125.7 . . ?
Mg1 O8 H8B 126.9 . . ?
H8A O8 H8B 104.5 . . ?
C7 C8 H8 119.7 . . ?
C9 C8 C7 120.6(3) . . ?
C9 C8 H8 119.7 . . ?
Mg1 O9 H9A 109.5 . . ?
Mg1 O9 H9B 109.4 . . ?
H9A O9 H9B 104.5 . . ?
N1 C9 C8 120.7(3) . . ?
N1 C9 H9 119.7 . . ?
C8 C9 H9 119.7 . . ?
Mg1 O10 H10A 109.4 . . ?
Mg1 O10 H10B 109.4 . . ?
H10A O10 H10B 104.5 . . ?
C7 C10 H10 119.9 . . ?
C11 C10 C7 120.1(3) . . ?
C11 C10 H10 119.9 . . ?
Mg1 O11 H11A 125.9 . . ?
Mg1 O11 H11B 129.4 . . ?
H11A O11 H11B 104.5 . . ?
N1 C11 C10 121.3(3) . . ?
N1 C11 H11 119.3 . . ?
C10 C11 H11 119.3 . . ?
C2 C12 C6 121.2(3) . . ?
C2 C12 H12 119.4 . . ?
C6 C12 H12 119.4 . . ?
O3 C13 O4 123.9(3) . . ?
O3 C13 C4 118.2(2) . . ?
O4 C13 C4 117.9(2) . . ?
N1 C14 H14A 109.5 . . ?
N1 C14 H14B 109.5 . . ?
N1 C14 C15 110.7(2) . . ?
H14A C14 H14B 108.1 . . ?
C15 C14 H14A 109.5 . . ?
C15 C14 H14B 109.5 . . ?
C16 C15 C14 119.5(3) . . ?
C20 C15 C14 121.1(3) . . ?
C20 C15 C16 119.4(3) . . ?
C15 C16 H16 119.8 . . ?
C15 C16 C17 120.3(3) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 C18 119.5(3) . . ?
C16 C17 C21 120.9(3) . . ?
C18 C17 C21 119.5(3) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 C17 120.2(3) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 120.0 . . ?
C18 C19 C20 119.9(3) . . ?
C20 C19 H19 120.0 . . ?
C15 C20 C19 120.5(3) . . ?
C15 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
O5 C21 O6 125.6(3) . . ?
O5 C21 C17 119.2(3) . . ?
O6 C21 C17 115.1(3) . . ?
C23 N2 C22 117.6(5) . . ?
C24 N2 C22 118.2(5) . . ?
C24 N2 C23 123.8(5) . . ?
N2 C22 H22A 109.5 . . ?
N2 C22 H22B 109.5 . . ?
N2 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N2 C23 H23A 109.5 . . ?
N2 C23 H23B 109.5 . . ?
N2 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N2 C24 H24 116.8 . . ?
O12 C24 N2 126.5(5) . . ?
O12 C24 H24 116.8 . . ?

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 O6 C21 O5 10.9(6) . . . . ?
Mg1 O6 C21 C17 -167.1(2) . . . . ?
O1 C1 C2 C3 176.2(3) . . . . ?
O1 C1 C2 C12 -6.7(4) . . . . ?
N1 C14 C15 C16 142.0(3) . . . . ?
N1 C14 C15 C20 -40.6(5) . . . . ?
C1 C2 C3 C4 177.8(3) . . . . ?
C1 C2 C12 C6 -177.6(3) . . . . ?
O2 C1 C2 C3 -4.4(4) . . . . ?
O2 C1 C2 C12 172.7(3) . . . . ?
C2 C3 C4 C5 -0.3(4) . . . . ?
C2 C3 C4 C13 -178.1(3) . . . . ?
C3 C2 C12 C6 -0.4(4) . . . . ?
C3 C4 C5 C6 -0.4(4) . . . . ?
C3 C4 C13 O3 3.5(4) . . . . ?
C3 C4 C13 O4 -176.6(3) . . . . ?
C4 C5 C6 C7 -179.6(3) . . . . ?
C4 C5 C6 C12 0.6(4) . . . . ?
C5 C4 C13 O3 -174.3(3) . . . . ?
C5 C4 C13 O4 5.6(4) . . . . ?
C5 C6 C7 C8 157.3(3) . . . . ?
C5 C6 C7 C10 -23.7(4) . . . . ?
C5 C6 C12 C2 -0.2(4) . . . . ?
C6 C7 C8 C9 174.9(3) . . . . ?
C6 C7 C10 C11 -174.7(3) . . . . ?
C7 C6 C12 C2 -180.0(3) . . . . ?
C7 C8 C9 N1 0.7(5) . . . . ?
C7 C10 C11 N1 -1.0(5) . . . . ?
C8 C7 C10 C11 4.4(5) . . . . ?
C9 N1 C11 C10 -2.7(5) . . . . ?
C9 N1 C14 C15 96.5(4) . . . . ?
C10 C7 C8 C9 -4.2(4) . . . . ?
C11 N1 C9 C8 2.9(5) . . . . ?
C11 N1 C14 C15 -76.9(4) . . . . ?
C12 C2 C3 C4 0.7(4) . . . . ?
C12 C6 C7 C8 -22.9(4) . . . . ?
C12 C6 C7 C10 156.1(3) . . . . ?
C13 C4 C5 C6 177.5(3) . . . . ?
C14 N1 C9 C8 -170.5(3) . . . . ?
C14 N1 C11 C10 170.6(3) . . . . ?
C14 C15 C16 C17 174.5(3) . . . . ?
C14 C15 C20 C19 -177.0(4) . . . . ?
C15 C16 C17 C18 2.9(5) . . . . ?
C15 C16 C17 C21 -174.9(3) . . . . ?
C16 C15 C20 C19 0.3(6) . . . . ?
C16 C17 C18 C19 -0.3(6) . . . . ?
C16 C17 C21 O5 -11.7(5) . . . . ?
C16 C17 C21 O6 166.5(3) . . . . ?
C17 C18 C19 C20 -2.3(7) . . . . ?
C18 C17 C21 O5 170.5(4) . . . . ?
C18 C17 C21 O6 -11.3(5) . . . . ?
C18 C19 C20 C15 2.3(7) . . . . ?
C20 C15 C16 C17 -2.9(5) . . . . ?
C21 C17 C18 C19 177.5(4) . . . . ?
C22 N2 C24 O12 6.6(9) . . . . ?
C23 N2 C24 O12 179.8(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
