# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# 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 
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data_zmh-244-sr
_database_code_depnum_ccdc_archive 'CCDC 1558239'
_audit_update_record             
;
2018-01-16 deposited with the CCDC.
2018-03-26 downloaded from the CCDC.
;
_audit_creation_date             2018-01-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         '0.5(C228 H160 Mg6 N4 O36)'
_chemical_formula_sum            'C114 H80 Mg3 N2 O18'
_chemical_formula_weight         1838.73
_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/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                   11.8132(2)
_cell_length_b                   34.5225(5)
_cell_length_c                   14.9681(3)
_cell_angle_alpha                90
_cell_angle_beta                 101.5443(18)
_cell_angle_gamma                90
_cell_volume                     5980.80(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9142
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      70.1190
_cell_measurement_theta_min      3.9590
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.701
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_density_diffrn    1.021
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lamella
_exptl_crystal_F_000             1916
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0230
_diffrn_reflns_av_unetI/netI     0.0343
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            21771
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         67.078
_diffrn_reflns_theta_min         3.955
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'four-circle diffractometer'
_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                8698
_reflns_number_total             10657
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS-1997 (Sheldrick, 2008)'
_refine_diff_density_max         1.793
_refine_diff_density_min         -0.812
_refine_diff_density_rms         0.087
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     623
_refine_ls_number_reflns         10657
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0866
_refine_ls_R_factor_gt           0.0759
_refine_ls_restrained_S_all      1.081
_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)+(0.1486P)²+3.5934P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2256
_refine_ls_wR_factor_ref         0.2379
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2.a Rotating group:
 O16(H16A,H16B)
2.b Ternary CH refined with riding coordinates:
 C2(H2), C4(H4), C1B(H1B), C22(H22)
2.c Aromatic/amide H refined with riding coordinates:
 C18(H18), C20(H20), C23(H23), C25(H25), C26(H26), C27(H27), C29(H29),
 C30(H30), C31(H31), C32(H32), C33(H33), C36(H36), C1E(H1E), C1F(H1F), C1G(H1G),
  C1I(H1I), C1J(H1J), C1Q(H1Q), C1K(H1K), C1L(H1L), C1M(H1M), C1N(H1N),
 C1O(H1O), C13(H13), C1P(H1P)
2.d Idealised Me refined as rotating group:
 C16(H16C,H16D,H16E), C1T(H1TA,H1TB,H1TC), C0BA(H0BA,H0BB,H0BC)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mg1 Mg 0.0000 0.5000 0.0000 0.0354(3) Uani 1 2 d S T P . .
Mg2 Mg 0.00869(8) 0.48648(3) 0.24305(8) 0.0386(3) Uani 1 1 d . . . . .
O1 O 0.11922(16) 0.45801(5) 0.04880(15) 0.0388(5) Uani 1 1 d . . . . .
O2 O 0.11057(17) 0.53978(5) 0.07681(17) 0.0441(5) Uani 1 1 d . . . . .
O3 O 1.37092(17) 0.95286(6) 0.30014(16) 0.0428(5) Uani 1 1 d . . . . .
O4 O -0.09330(16) 0.49090(6) 0.10729(16) 0.0410(5) Uani 1 1 d . . . . .
O5 O 0.09532(19) 0.53512(6) 0.22404(19) 0.0509(6) Uani 1 1 d . . . . .
O6 O -0.07893(19) 0.43609(6) 0.26729(17) 0.0484(6) Uani 1 1 d . . . . .
O7 O -0.1169(2) 0.51700(7) 0.2925(2) 0.0645(8) Uani 1 1 d . . . . .
C8 C 0.64914(18) 0.71851(6) 0.29281(14) 0.0178(4) Uani 1 1 d . . . . .
C9 C 0.74630(19) 0.77141(6) 0.38526(15) 0.0182(4) Uani 1 1 d . . . . .
C10 C 0.80721(18) 0.75388(6) 0.24735(15) 0.0188(5) Uani 1 1 d . . . . .
C11 C 0.66196(18) 0.74243(6) 0.36996(15) 0.0177(4) Uani 1 1 d . . . . .
C1 C 0.72216(19) 0.72518(6) 0.23133(15) 0.0190(5) Uani 1 1 d . . . . .
C2 C 0.58628(19) 0.74177(7) 0.44166(15) 0.0196(5) Uani 1 1 d . . . . .
H2 H 0.5267 0.7216 0.4306 0.024 Uiso 1 1 calc R . . . .
C3 C 0.5366(2) 0.78270(7) 0.44067(14) 0.0211(5) Uani 1 1 d . . . . .
C4 C 0.7443(2) 0.79508(7) 0.47013(15) 0.0202(5) Uani 1 1 d . . . . .
H4 H 0.8040 0.8152 0.4811 0.024 Uiso 1 1 calc R . . . .
C5 C 0.6222(2) 0.81141(7) 0.45586(15) 0.0217(5) Uani 1 1 d . . . . .
C6 C 0.81905(18) 0.77778(6) 0.32359(15) 0.0178(4) Uani 1 1 d . . . . .
C7 C 0.7123(2) 0.73281(7) 0.06795(16) 0.0235(5) Uani 1 1 d . . . . .
C1A C 0.56623(19) 0.68766(7) 0.27785(15) 0.0203(5) Uani 1 1 d . . . . .
C1B C 0.88268(19) 0.75494(7) 0.17522(15) 0.0202(5) Uani 1 1 d . . . . .
H1B H 0.9435 0.7747 0.1874 0.024 Uiso 1 1 calc R . . . .
C1C C 0.9298(2) 0.71385(7) 0.17289(15) 0.0220(5) Uani 1 1 d . . . . .
C1D C 0.90085(19) 0.80912(7) 0.33608(15) 0.0200(5) Uani 1 1 d . . . . .
C12 C 0.7547(2) 0.76606(7) 0.54813(15) 0.0217(5) Uani 1 1 d . . . . .
N13 N -0.0986(2) 0.37206(7) 0.29548(19) 0.0439(6) Uani 1 1 d . . . . .
C14 C 0.6694(2) 0.73738(7) 0.53318(15) 0.0212(5) Uani 1 1 d . . . . .
C15 C 0.8426(2) 0.68553(7) 0.15615(15) 0.0237(5) Uani 1 1 d . . . . .
O16 O 0.1076(3) 0.48157(8) 0.3737(2) 0.0678(7) Uani 1 1 d . . . . .
H16A H 0.0901 0.4675 0.4175 0.102 Uiso 1 1 d GR . . . .
H16B H 0.1734 0.4933 0.3940 0.102 Uiso 1 1 d GR . . . .
C17 C 0.9684(2) 0.83555(7) 0.34413(16) 0.0227(5) Uani 1 1 d . . . . .
C18 C 0.4212(2) 0.79275(7) 0.42589(15) 0.0246(5) Uani 1 1 d . . . . .
H18 H 0.3643 0.7737 0.4153 0.030 Uiso 1 1 calc R . . . .
C19 C 1.0552(2) 0.86504(7) 0.35179(17) 0.0253(5) Uani 1 1 d . . . . .
C20 C 0.5927(2) 0.85009(7) 0.45605(17) 0.0282(5) Uani 1 1 d . . . . .
H20 H 0.6496 0.8691 0.4653 0.034 Uiso 1 1 calc R . . . .
C21 C 0.7987(2) 0.76099(7) 0.08487(15) 0.0225(5) Uani 1 1 d . . . . .
C22 C 0.7217(2) 0.70256(7) 0.14362(15) 0.0214(5) Uani 1 1 d . . . . .
H22 H 0.6607 0.6829 0.1313 0.026 Uiso 1 1 calc R . . . .
C23 C 0.8365(2) 0.76657(8) 0.62786(16) 0.0279(5) Uani 1 1 d . . . . .
H23 H 0.8930 0.7857 0.6377 0.034 Uiso 1 1 calc R . . . .
C24 C 0.4987(2) 0.66130(7) 0.26286(16) 0.0252(5) Uani 1 1 d . . . . .
C25 C 1.0441(2) 0.70311(8) 0.18620(16) 0.0276(5) Uani 1 1 d . . . . .
H25 H 1.1019 0.7218 0.1970 0.033 Uiso 1 1 calc R . . . .
C26 C 0.8024(2) 0.79032(8) 0.02223(17) 0.0292(5) Uani 1 1 d . . . . .
H26 H 0.8595 0.8092 0.0335 0.035 Uiso 1 1 calc R . . . .
C27 C 0.6664(2) 0.70911(7) 0.59785(17) 0.0266(5) Uani 1 1 d . . . . .
H27 H 0.6101 0.6899 0.5877 0.032 Uiso 1 1 calc R . . . .
C28 C 0.4128(2) 0.63151(7) 0.23957(19) 0.0292(5) Uani 1 1 d . . . . .
C29 C 0.4761(3) 0.86017(8) 0.44216(18) 0.0344(6) Uani 1 1 d . . . . .
H29 H 0.4552 0.8861 0.4430 0.041 Uiso 1 1 calc R . . . .
C30 C 0.8705(2) 0.64674(8) 0.15364(18) 0.0310(6) Uani 1 1 d . . . . .
H30 H 0.8127 0.6280 0.1431 0.037 Uiso 1 1 calc R . . . .
C31 C 1.0992(2) 0.88314(8) 0.43448(19) 0.0313(6) Uani 1 1 d . . . . .
H31 H 1.0684 0.8774 0.4855 0.038 Uiso 1 1 calc R . . . .
C32 C 0.6294(2) 0.73364(8) -0.01147(17) 0.0331(6) Uani 1 1 d . . . . .
H32 H 0.5714 0.7150 -0.0225 0.040 Uiso 1 1 calc R . . . .
C33 C 1.1009(2) 0.87454(8) 0.27494(19) 0.0320(6) Uani 1 1 d . . . . .
H33 H 1.0710 0.8631 0.2190 0.038 Uiso 1 1 calc R . . . .
C34 C 1.2352(2) 0.91837(7) 0.36479(19) 0.0302(6) Uani 1 1 d . . . . .
C35 C 0.2380(2) 0.57653(7) 0.1876(2) 0.0355(6) Uani 1 1 d . . . . .
C36 C 0.3911(2) 0.83182(8) 0.42703(18) 0.0325(6) Uani 1 1 d . . . . .
H36 H 0.3137 0.8389 0.4176 0.039 Uiso 1 1 calc R . . . .
C37 C 0.1401(2) 0.54782(8) 0.1601(2) 0.0400(7) Uani 1 1 d . . . . .
C1E C 1.1891(2) 0.90986(8) 0.4413(2) 0.0324(6) Uani 1 1 d . . . . .
H1E H 1.2182 0.9219 0.4967 0.039 Uiso 1 1 calc R . . . .
C1F C 0.7496(2) 0.70975(8) 0.67913(18) 0.0347(6) Uani 1 1 d . . . . .
H1F H 0.7481 0.6910 0.7236 0.042 Uiso 1 1 calc R . . . .
C1G C 0.3844(2) 0.61814(8) 0.1495(2) 0.0354(6) Uani 1 1 d . . . . .
H1G H 0.4241 0.6275 0.1062 0.042 Uiso 1 1 calc R . . . .
C1H C 1.3369(2) 0.94574(7) 0.3726(2) 0.0335(6) Uani 1 1 d . . . . .
C1I C 0.9857(3) 0.63605(8) 0.1670(2) 0.0420(7) Uani 1 1 d . . . . .
H1I H 1.0054 0.6100 0.1651 0.050 Uiso 1 1 calc R . . . .
C1J C 0.8341(2) 0.73826(8) 0.69339(18) 0.0347(6) Uani 1 1 d . . . . .
H1J H 0.8895 0.7384 0.7471 0.042 Uiso 1 1 calc R . . . .
C1Q C 0.7183(3) 0.79085(9) -0.05830(19) 0.0402(7) Uani 1 1 d . . . . .
H1Q H 0.7198 0.8104 -0.1009 0.048 Uiso 1 1 calc R . . . .
C1K C 1.0726(3) 0.66414(9) 0.1834(2) 0.0377(6) Uani 1 1 d . . . . .
H1K H 1.1498 0.6567 0.1924 0.045 Uiso 1 1 calc R . . . .
C1L C 1.1902(2) 0.90088(8) 0.28231(19) 0.0332(6) Uani 1 1 d . . . . .
H1L H 1.2203 0.9069 0.2312 0.040 Uiso 1 1 calc R . . . .
C1M C 0.3541(2) 0.61630(8) 0.3037(2) 0.0358(6) Uani 1 1 d . . . . .
H1M H 0.3728 0.6245 0.3640 0.043 Uiso 1 1 calc R . . . .
C1N C 0.2969(2) 0.59081(8) 0.1243(2) 0.0361(6) Uani 1 1 d . . . . .
H1N H 0.2783 0.5822 0.0643 0.043 Uiso 1 1 calc R . . . .
C1O C 0.6341(3) 0.76304(10) -0.07522(19) 0.0419(7) Uani 1 1 d . . . . .
H1O H 0.5795 0.7637 -0.1294 0.050 Uiso 1 1 calc R . . . .
C13 C 0.2686(2) 0.58917(8) 0.2779(2) 0.0397(7) Uani 1 1 d . . . . .
H13 H 0.2304 0.5791 0.3213 0.048 Uiso 1 1 calc R . . . .
C1P C -0.0456(3) 0.40203(8) 0.2678(2) 0.0421(7) Uani 1 1 d . . . . .
H1P H 0.0222 0.3972 0.2470 0.051 Uiso 1 1 calc R . . . .
C16 C -0.0544(4) 0.33277(9) 0.2937(3) 0.0590(9) Uani 1 1 d . . . . .
H16C H -0.1093 0.3172 0.2531 0.089 Uiso 1 1 calc GR . . . .
H16D H -0.0419 0.3220 0.3540 0.089 Uiso 1 1 calc GR . . . .
H16E H 0.0174 0.3333 0.2729 0.089 Uiso 1 1 calc GR . . . .
C1T C -0.2057(4) 0.37730(13) 0.3302(4) 0.0738(12) Uani 1 1 d . . . . .
H1TA H -0.2168 0.4043 0.3408 0.111 Uiso 1 1 calc GR . . . .
H1TB H -0.2002 0.3633 0.3863 0.111 Uiso 1 1 calc GR . . . .
H1TC H -0.2700 0.3677 0.2861 0.111 Uiso 1 1 calc GR . . . .
O8AA O -0.2138(4) 0.54471(16) 0.1554(4) 0.1289(17) Uani 1 1 d . . . . .
C9AA C -0.1902(5) 0.54109(15) 0.2452(5) 0.0919(16) Uani 1 1 d . . . . .
C0BA C -0.2591(9) 0.5664(3) 0.2940(8) 0.194(5) Uani 1 1 d . . . . .
H0BA H -0.3093 0.5508 0.3222 0.290 Uiso 1 1 calc GR . . . .
H0BB H -0.3044 0.5839 0.2515 0.290 Uiso 1 1 calc GR . . . .
H0BC H -0.2080 0.5810 0.3399 0.290 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
Mg1 Mg2 3.6488(11) 3_565 ?
Mg1 Mg2 3.6488(11) . ?
Mg1 O1 2.0510(17) . ?
Mg1 O1 2.0510(17) 3_565 ?
Mg1 O2 2.0768(19) . ?
Mg1 O2 2.0768(18) 3_565 ?
Mg1 O4 2.145(2) . ?
Mg1 O4 2.145(2) 3_565 ?
Mg2 O3 2.039(2) 2_645 ?
Mg2 O4 2.150(2) . ?
Mg2 O5 2.016(2) . ?
Mg2 O6 2.093(2) . ?
Mg2 O7 2.074(2) . ?
Mg2 O16 2.074(3) . ?
O1 C1H 1.260(4) 2_645 ?
O2 C37 1.256(4) . ?
O3 Mg2 2.038(2) 2_655 ?
O3 C1H 1.254(4) . ?
O5 C37 1.261(4) . ?
O6 C1P 1.240(4) . ?
O7 C9AA 1.303(7) . ?
C8 C11 1.403(3) . ?
C8 C1 1.401(3) . ?
C8 C1A 1.434(3) . ?
C9 C11 1.398(3) . ?
C9 C4 1.515(3) . ?
C9 C6 1.399(3) . ?
C10 C1 1.397(3) . ?
C10 C6 1.392(3) . ?
C10 C1B 1.532(3) . ?
C11 C2 1.528(3) . ?
C1 C22 1.527(3) . ?
C2 C3 1.529(3) . ?
C2 C14 1.525(3) . ?
C3 C5 1.402(3) . ?
C3 C18 1.381(3) . ?
C4 C5 1.522(3) . ?
C4 C12 1.525(3) . ?
C5 C20 1.380(3) . ?
C6 C1D 1.438(3) . ?
C7 C21 1.396(3) . ?
C7 C22 1.528(3) . ?
C7 C32 1.381(3) . ?
C1A C24 1.202(3) . ?
C1B C1C 1.527(3) . ?
C1B C21 1.523(3) . ?
C1C C15 1.406(3) . ?
C1C C25 1.375(3) . ?
C1D C17 1.202(3) . ?
C12 C14 1.398(3) . ?
C12 C23 1.377(3) . ?
N13 C1P 1.318(4) . ?
N13 C16 1.456(4) . ?
N13 C1T 1.472(5) . ?
C14 C27 1.380(3) . ?
C15 C22 1.522(3) . ?
C15 C30 1.382(4) . ?
C17 C19 1.433(3) . ?
C18 C36 1.396(4) . ?
C19 C31 1.391(4) . ?
C19 C33 1.404(4) . ?
C20 C29 1.395(4) . ?
C21 C26 1.386(3) . ?
C23 C1J 1.389(4) . ?
C24 C28 1.437(3) . ?
C25 C1K 1.390(4) . ?
C26 C1Q 1.400(4) . ?
C27 C1F 1.403(4) . ?
C28 C1G 1.401(4) . ?
C28 C1M 1.395(4) . ?
C29 C36 1.388(4) . ?
C30 C1I 1.386(4) . ?
C31 C1E 1.395(4) . ?
C32 C1O 1.402(4) . ?
C33 C1L 1.380(4) . ?
C34 C1E 1.394(4) . ?
C34 C1H 1.515(3) . ?
C34 C1L 1.382(4) . ?
C35 C37 1.516(4) . ?
C35 C1N 1.374(4) . ?
C35 C13 1.398(4) . ?
C1F C1J 1.388(4) . ?
C1G C1N 1.394(4) . ?
C1H O1 1.260(4) 2_655 ?
C1I C1K 1.397(5) . ?
C1Q C1O 1.370(5) . ?
C1M C13 1.375(4) . ?
O8AA C9AA 1.323(8) . ?
C9AA C0BA 1.482(9) . ?

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
Mg2 Mg1 Mg2 180.0 3_565 . ?
O1 Mg1 Mg2 70.99(7) 3_565 3_565 ?
O1 Mg1 Mg2 109.01(7) 3_565 . ?
O1 Mg1 Mg2 109.02(7) . 3_565 ?
O1 Mg1 Mg2 70.98(7) . . ?
O1 Mg1 O1 180.0 . 3_565 ?
O1 Mg1 O2 92.33(8) . 3_565 ?
O1 Mg1 O2 92.33(8) 3_565 . ?
O1 Mg1 O2 87.67(8) . . ?
O1 Mg1 O2 87.67(8) 3_565 3_565 ?
O1 Mg1 O4 87.20(8) . 3_565 ?
O1 Mg1 O4 87.20(8) 3_565 . ?
O1 Mg1 O4 92.80(8) 3_565 3_565 ?
O1 Mg1 O4 92.80(8) . . ?
O2 Mg1 Mg2 110.88(7) 3_565 . ?
O2 Mg1 Mg2 110.88(7) . 3_565 ?
O2 Mg1 Mg2 69.12(7) . . ?
O2 Mg1 Mg2 69.12(7) 3_565 3_565 ?
O2 Mg1 O2 180.00(9) . 3_565 ?
O2 Mg1 O4 87.54(9) . 3_565 ?
O2 Mg1 O4 87.54(9) 3_565 . ?
O2 Mg1 O4 92.46(9) 3_565 3_565 ?
O2 Mg1 O4 92.46(9) . . ?
O4 Mg1 Mg2 148.11(6) 3_565 . ?
O4 Mg1 Mg2 148.11(6) . 3_565 ?
O4 Mg1 Mg2 31.89(6) 3_565 3_565 ?
O4 Mg1 Mg2 31.89(6) . . ?
O4 Mg1 O4 180.0 . 3_565 ?
O3 Mg2 Mg1 68.83(7) 2_645 . ?
O3 Mg2 O4 92.02(9) 2_645 . ?
O3 Mg2 O6 88.99(9) 2_645 . ?
O3 Mg2 O7 175.58(12) 2_645 . ?
O3 Mg2 O16 87.44(11) 2_645 . ?
O4 Mg2 Mg1 31.80(6) . . ?
O5 Mg2 Mg1 70.52(8) . . ?
O5 Mg2 O3 91.34(10) . 2_645 ?
O5 Mg2 O4 90.67(10) . . ?
O5 Mg2 O6 178.15(12) . . ?
O5 Mg2 O7 92.68(10) . . ?
O5 Mg2 O16 89.71(12) . . ?
O6 Mg2 Mg1 111.29(8) . . ?
O6 Mg2 O4 91.14(9) . . ?
O7 Mg2 Mg1 114.32(10) . . ?
O7 Mg2 O4 89.77(11) . . ?
O7 Mg2 O6 86.93(10) . . ?
O7 Mg2 O16 90.74(13) . . ?
O16 Mg2 Mg1 148.04(9) . . ?
O16 Mg2 O4 179.34(10) . . ?
O16 Mg2 O6 88.48(12) . . ?
C1H O1 Mg1 134.01(19) 2_645 . ?
C37 O2 Mg1 135.6(2) . . ?
C1H O3 Mg2 138.6(2) . 2_655 ?
Mg1 O4 Mg2 116.31(9) . . ?
C37 O5 Mg2 134.3(2) . . ?
C1P O6 Mg2 128.5(2) . . ?
C9AA O7 Mg2 125.1(3) . . ?
C11 C8 C1A 121.6(2) . . ?
C1 C8 C11 117.7(2) . . ?
C1 C8 C1A 120.72(19) . . ?
C11 C9 C4 113.14(19) . . ?
C11 C9 C6 121.1(2) . . ?
C6 C9 C4 125.7(2) . . ?
C1 C10 C1B 113.32(19) . . ?
C6 C10 C1 120.8(2) . . ?
C6 C10 C1B 125.9(2) . . ?
C8 C11 C2 125.96(19) . . ?
C9 C11 C8 120.8(2) . . ?
C9 C11 C2 113.18(19) . . ?
C8 C1 C22 125.7(2) . . ?
C10 C1 C8 121.3(2) . . ?
C10 C1 C22 112.90(19) . . ?
C11 C2 C3 104.88(17) . . ?
C14 C2 C11 105.70(18) . . ?
C14 C2 C3 106.10(18) . . ?
C5 C3 C2 112.8(2) . . ?
C18 C3 C2 126.8(2) . . ?
C18 C3 C5 120.4(2) . . ?
C9 C4 C5 104.81(18) . . ?
C9 C4 C12 105.99(18) . . ?
C5 C4 C12 106.24(18) . . ?
C3 C5 C4 113.2(2) . . ?
C20 C5 C3 120.6(2) . . ?
C20 C5 C4 126.2(2) . . ?
C9 C6 C1D 121.2(2) . . ?
C10 C6 C9 118.3(2) . . ?
C10 C6 C1D 120.5(2) . . ?
C21 C7 C22 113.6(2) . . ?
C32 C7 C21 120.6(2) . . ?
C32 C7 C22 125.8(2) . . ?
C24 C1A C8 177.6(2) . . ?
C1C C1B C10 105.10(18) . . ?
C21 C1B C10 105.15(18) . . ?
C21 C1B C1C 106.45(18) . . ?
C15 C1C C1B 113.1(2) . . ?
C25 C1C C1B 126.8(2) . . ?
C25 C1C C15 120.1(2) . . ?
C17 C1D C6 178.3(2) . . ?
C14 C12 C4 113.4(2) . . ?
C23 C12 C4 126.2(2) . . ?
C23 C12 C14 120.4(2) . . ?
C1P N13 C16 122.1(3) . . ?
C1P N13 C1T 120.7(3) . . ?
C16 N13 C1T 117.3(3) . . ?
C12 C14 C2 112.78(19) . . ?
C27 C14 C2 126.8(2) . . ?
C27 C14 C12 120.5(2) . . ?
C1C C15 C22 112.9(2) . . ?
C30 C15 C1C 120.6(2) . . ?
C30 C15 C22 126.5(2) . . ?
C1D C17 C19 175.6(3) . . ?
C3 C18 C36 119.1(2) . . ?
C31 C19 C17 121.6(2) . . ?
C31 C19 C33 119.2(2) . . ?
C33 C19 C17 119.1(2) . . ?
C5 C20 C29 118.9(2) . . ?
C7 C21 C1B 112.8(2) . . ?
C26 C21 C7 120.5(2) . . ?
C26 C21 C1B 126.7(2) . . ?
C1 C22 C7 105.97(18) . . ?
C15 C22 C1 104.46(18) . . ?
C15 C22 C7 106.39(19) . . ?
C12 C23 C1J 119.5(2) . . ?
C1A C24 C28 175.7(3) . . ?
C1C C25 C1K 119.6(3) . . ?
C21 C26 C1Q 118.6(3) . . ?
C14 C27 C1F 119.1(2) . . ?
C1G C28 C24 119.4(2) . . ?
C1M C28 C24 121.8(2) . . ?
C1M C28 C1G 118.8(2) . . ?
C36 C29 C20 120.6(2) . . ?
C15 C30 C1I 119.1(3) . . ?
C19 C31 C1E 120.3(2) . . ?
C7 C32 C1O 118.9(3) . . ?
C1L C33 C19 120.1(2) . . ?
C1E C34 C1H 120.2(2) . . ?
C1L C34 C1E 119.8(2) . . ?
C1L C34 C1H 120.0(3) . . ?
C1N C35 C37 120.8(3) . . ?
C1N C35 C13 119.1(2) . . ?
C13 C35 C37 120.1(3) . . ?
C29 C36 C18 120.4(2) . . ?
O2 C37 O5 126.9(3) . . ?
O2 C37 C35 117.3(3) . . ?
O5 C37 C35 115.7(3) . . ?
C34 C1E C31 119.7(2) . . ?
C1J C1F C27 120.1(2) . . ?
C1N C1G C28 120.3(3) . . ?
O1 C1H C34 117.0(3) 2_655 . ?
O3 C1H O1 126.8(2) . 2_655 ?
O3 C1H C34 116.2(3) . . ?
C30 C1I C1K 120.4(3) . . ?
C1F C1J C23 120.4(2) . . ?
C1O C1Q C26 120.9(3) . . ?
C25 C1K C1I 120.2(3) . . ?
C33 C1L C34 120.7(3) . . ?
C13 C1M C28 120.1(3) . . ?
C35 C1N C1G 120.5(3) . . ?
C1Q C1O C32 120.5(3) . . ?
C1M C13 C35 121.2(3) . . ?
O6 C1P N13 125.2(3) . . ?
O7 C9AA O8AA 126.5(5) . . ?
O7 C9AA C0BA 118.6(7) . . ?
O8AA C9AA C0BA 114.8(7) . . ?


_olex2_submission_special_instructions 'No special instructions were received'
