# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1424071'
_audit_update_record             
;
2015-09-14 deposited with the CCDC.
2016-08-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C51.90 H16 Mg4 N3.98 O20'
_chemical_formula_weight         1112.45

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 21/n'

loop_
_symmetry_equiv_pos_as_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                   9.1535(16)
_cell_length_b                   18.800(4)
_cell_length_c                   17.924(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.145(6)
_cell_angle_gamma                90.00
_cell_volume                     3084.4(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    305(2)
_cell_measurement_reflns_used    9936
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      25.06

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.198
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1360
_exptl_absorpt_coefficient_mu    0.129
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.9348
_exptl_absorpt_correction_T_max  0.9853
_exptl_absorpt_process_details   'SADABS-2014/5 (Bruker,2014/5)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      305(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            78195
_diffrn_reflns_av_R_equivalents  0.0769
_diffrn_reflns_av_sigmaI/netI    0.0302
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.17
_diffrn_reflns_theta_max         26.08
_reflns_number_total             6095
_reflns_number_gt                4439
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1182P)²+3.8876P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6095
_refine_ls_number_parameters     391
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1091
_refine_ls_R_factor_gt           0.0805
_refine_ls_wR_factor_ref         0.2401
_refine_ls_wR_factor_gt          0.2160
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mg1 Mg 0.28209(10) 0.35864(5) 0.25003(6) 0.0302(3) Uani 1 1 d . . .
Mg2 Mg 0.67805(11) 0.34379(5) 0.25004(7) 0.0379(3) Uani 1 1 d . . .
O5 O 0.0789(2) 0.38831(11) 0.24999(17) 0.0529(7) Uani 1 1 d . . .
O6 O -0.1543(2) 0.41515(13) 0.24988(17) 0.0554(7) Uani 1 1 d . . .
O1 O 0.3486(3) 0.40330(15) 0.15805(15) 0.0587(7) Uani 1 1 d . . .
O3 O 0.3484(3) 0.40334(15) 0.34188(15) 0.0588(7) Uani 1 1 d . . .
O7 O 0.2343(3) 0.75298(13) 0.2499(2) 0.0676(9) Uani 1 1 d . . .
O2 O 0.5903(3) 0.4013(2) 0.16690(17) 0.0813(11) Uani 1 1 d . A .
C9 C -0.0238(3) 0.43207(16) 0.2502(2) 0.0391(7) Uani 1 1 d . A .
O4 O 0.5901(3) 0.4013(2) 0.33293(17) 0.0808(11) Uani 1 1 d . A .
O8 O 0.0053(3) 0.77924(14) 0.2501(2) 0.0794(11) Uani 1 1 d . . .
C10 C 0.0096(3) 0.51040(17) 0.2500(2) 0.0417(8) Uani 1 1 d . . .
C6 C 0.4867(4) 0.4607(2) 0.4346(2) 0.0498(9) Uani 1 1 d . . .
C2 C 0.4871(4) 0.4607(2) 0.0652(2) 0.0499(9) Uani 1 1 d . . .
C13 C 0.0673(4) 0.65607(17) 0.2500(2) 0.0475(9) Uani 1 1 d . A .
C1 C 0.4746(4) 0.4182(2) 0.1360(2) 0.0499(9) Uani 1 1 d . A .
C5 C 0.4754(4) 0.4184(2) 0.3640(2) 0.0500(9) Uani 1 1 d . A .
C14 C 0.1029(4) 0.73401(17) 0.2499(2) 0.0490(9) Uani 1 1 d . . .
C7 C 0.3647(4) 0.4847(3) 0.4712(2) 0.0662(12) Uani 1 1 d . . .
H7 H 0.2726 0.4749 0.4517 0.079 Uiso 1 1 calc R . .
C3 C 0.3645(4) 0.4846(3) 0.0287(2) 0.0675(12) Uani 1 1 d . . .
H3 H 0.2724 0.4748 0.0479 0.081 Uiso 1 1 calc R . .
C8 C 0.6230(5) 0.4771(3) 0.4635(3) 0.0693(13) Uani 1 1 d . . .
H8 H 0.7067 0.4621 0.4388 0.083 Uiso 1 1 calc R . .
C4 C 0.6226(5) 0.4769(3) 0.0366(2) 0.0684(13) Uani 1 1 d . . .
H4 H 0.7062 0.4617 0.0614 0.082 Uiso 1 1 calc R . .
C15 C 0.1751(4) 0.6078(2) 0.2502(4) 0.103(2) Uani 1 1 d . . .
H15 H 0.2715 0.6234 0.2504 0.123 Uiso 1 1 calc R A .
C16 C 0.1478(4) 0.5356(2) 0.2501(4) 0.105(2) Uani 1 1 d . A .
H16 H 0.2257 0.5039 0.2500 0.127 Uiso 1 1 calc R . .
C11 C -0.0997(4) 0.5592(2) 0.2501(4) 0.100(2) Uani 1 1 d . A .
H11 H -0.1961 0.5437 0.2503 0.119 Uiso 1 1 calc R . .
C12 C -0.0712(5) 0.6314(2) 0.2499(5) 0.108(2) Uani 1 1 d . . .
H12 H -0.1486 0.6634 0.2496 0.129 Uiso 1 1 calc R A .
O10 O 0.7831(15) 0.2716(7) 0.3095(7) 0.084(4) Uani 0.50 1 d P A 1
O9 O 0.7702(17) 0.2912(8) 0.3476(7) 0.098(5) Uani 0.50 1 d P A 2
C17 C 0.840(3) 0.3210(13) 0.3923(14) 0.104(8) Uiso 0.33 1 d P A -1
O11 O 0.7823(16) 0.2710(7) 0.1914(7) 0.087(4) Uani 0.50 1 d P A 2
C37 C 0.8571(15) 0.3142(7) 0.1162(8) 0.092(3) Uiso 0.50 1 d P A 1
O12 O 0.7690(17) 0.2909(9) 0.1529(7) 0.100(5) Uani 0.50 1 d P A 1
C32 C 0.8803(13) 0.2805(6) 0.1462(7) 0.078(3) Uiso 0.50 1 d P A 2
C22 C 0.8766(17) 0.3015(10) 0.3725(10) 0.056(3) Uiso 0.33 1 d P A 2
C33 C 0.875(2) 0.1526(11) 0.1144(11) 0.149(6) Uiso 0.50 1 d P A 2
N4 N 0.9369(18) 0.2236(10) 0.1026(10) 0.150(5) Uiso 0.50 1 d P A 2
N5 N 0.9453(12) 0.2808(6) 0.0686(6) 0.095(3) Uiso 0.50 1 d P A 1
C41 C 0.979(5) 0.350(2) -0.029(2) 0.298(18) Uiso 0.50 1 d P A 1
C18 C 1.059(3) 0.3123(18) 0.4734(17) 0.139(8) Uiso 0.33 1 d P A -1
C26 C 1.020(4) 0.1580(19) 0.371(2) 0.163(11) Uiso 0.33 1 d P A 2
N2 N 0.9435(17) 0.2590(11) 0.4180(10) 0.087(4) Uiso 0.33 1 d P A 2
C28 C 1.087(3) 0.2544(18) 0.4371(18) 0.138(9) Uiso 0.33 1 d P A 1
C35 C 1.087(3) 0.2376(17) 0.0631(16) 0.199(10) Uiso 0.50 1 d P A 2
C39 C 1.045(3) 0.1699(16) 0.1135(17) 0.210(10) Uiso 0.50 1 d P A 1
C38 C 0.968(6) 0.205(3) 0.044(3) 0.32(2) Uiso 0.50 1 d P A 1
C40 C 1.057(3) 0.3102(18) 0.0278(18) 0.219(11) Uiso 0.50 1 d P A 1
C36 C 0.991(3) 0.2604(18) -0.0316(19) 0.223(11) Uiso 0.50 1 d P A 2
C20 C 0.933(3) 0.2050(17) 0.4449(18) 0.133(8) Uiso 0.33 1 d P A -1
C29 C 0.985(5) 0.259(3) 0.533(3) 0.179(14) Uiso 0.33 1 d P A 1
C34 C 0.950(3) 0.1125(16) 0.1768(17) 0.217(11) Uiso 0.50 1 d P A 2
C21 C 1.077(3) 0.1939(19) 0.4133(19) 0.149(10) Uiso 0.33 1 d P A -1
C31 C 0.949(3) 0.1055(17) 0.3203(17) 0.150(9) Uiso 0.33 1 d P A 1
N3 N 0.9421(19) 0.2196(12) 0.3864(11) 0.105(5) Uiso 0.33 1 d P A 1
N1 N 0.9478(16) 0.2921(9) 0.4383(9) 0.080(4) Uiso 0.33 1 d P A -1
C27 C 0.8838(16) 0.2740(9) 0.3478(9) 0.059(3) Uiso 0.33 1 d P A 1
C19 C 0.998(7) 0.367(4) 0.517(4) 0.29(3) Uiso 0.33 1 d P A -1
C23 C 1.049(6) 0.231(3) 0.491(4) 0.24(2) Uiso 0.33 1 d P A 2
C24 C 0.961(6) 0.318(4) 0.540(3) 0.24(2) Uiso 0.33 1 d P A 2
C30 C 0.865(4) 0.1414(18) 0.371(2) 0.140(11) Uiso 0.33 1 d P A 1
C25 C 0.891(4) 0.165(2) 0.402(2) 0.162(13) Uiso 0.33 1 d P A 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 O5 1.942(2) . ?
Mg1 O3 1.944(3) . ?
Mg1 O1 1.949(3) . ?
Mg1 O7 1.992(3) 2_545 ?
Mg1 O8 2.452(3) 2_545 ?
Mg1 C14 2.569(3) 2_545 ?
Mg1 Mg2 3.6351(15) . ?
Mg2 O10 1.974(11) . ?
Mg2 O11 1.974(12) . ?
Mg2 O4 2.007(3) . ?
Mg2 O2 2.007(3) . ?
Mg2 O6 2.038(2) 1_655 ?
Mg2 O8 2.071(3) 2_545 ?
Mg2 O12 2.172(13) . ?
Mg2 O9 2.177(12) . ?
O5 C9 1.249(4) . ?
O6 C9 1.237(4) . ?
O6 Mg2 2.038(2) 1_455 ?
O1 C1 1.252(4) . ?
O3 C5 1.259(4) . ?
O7 C14 1.254(5) . ?
O7 Mg1 1.992(3) 2 ?
O2 C1 1.235(5) . ?
C9 C10 1.504(4) . ?
O4 C5 1.232(5) . ?
O8 C14 1.233(4) . ?
O8 Mg2 2.071(3) 2 ?
O8 Mg1 2.452(3) 2 ?
C10 C16 1.351(5) . ?
C10 C11 1.358(5) . ?
C6 C7 1.372(6) . ?
C6 C8 1.384(5) . ?
C6 C5 1.499(5) . ?
C2 C3 1.374(5) . ?
C2 C4 1.377(5) . ?
C2 C1 1.504(5) . ?
C13 C15 1.341(5) . ?
C13 C12 1.351(6) . ?
C13 C14 1.501(4) . ?
C14 Mg1 2.569(3) 2 ?
C7 C8 1.378(6) 3_666 ?
C7 H7 0.9300 . ?
C3 C4 1.381(6) 3_665 ?
C3 H3 0.9300 . ?
C8 C7 1.378(6) 3_666 ?
C8 H8 0.9300 . ?
C4 C3 1.381(6) 3_665 ?
C4 H4 0.9300 . ?
C15 C16 1.379(5) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C11 C12 1.382(6) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
O10 C27 1.15(2) . ?
O10 C17 1.83(3) . ?
O9 C22 1.09(2) . ?
C17 C27 1.26(3) . ?
C17 N1 1.39(3) . ?
O11 C32 1.224(19) . ?
C37 O12 1.131(19) . ?
C37 N5 1.333(16) . ?
C32 N4 1.42(2) . ?
C22 N2 1.29(2) . ?
C33 N4 1.47(2) . ?
C33 C34 1.51(3) . ?
N4 C35 1.57(3) . ?
N5 C40 1.37(3) . ?
N5 C38 1.51(5) . ?
C41 C40 1.45(4) . ?
C18 N1 1.25(3) . ?
C18 C28 1.29(4) . ?
C18 C19 1.40(6) . ?
C18 C29 1.62(5) . ?
C26 C25 1.31(5) . ?
N2 C23 1.71(6) . ?
N2 C25 1.85(5) . ?
C28 C21 1.22(4) . ?
C28 N1 1.46(3) . ?
C28 C20 1.70(4) . ?
C28 N3 1.74(4) . ?
C28 C29 1.97(6) . ?
C35 C36 1.96(4) . ?
C39 C38 1.58(5) . ?
C20 N3 1.09(3) . ?
C20 C21 1.45(4) . ?
C20 N1 1.65(3) . ?
C20 C30 1.88(5) . ?
C20 C29 1.94(6) . ?
C29 N1 1.85(4) . ?
C21 N3 1.41(3) . ?
C31 C30 1.37(4) . ?
N3 C27 1.34(2) . ?
N3 C30 1.65(4) . ?
N3 N1 1.65(2) . ?
N1 C27 1.76(2) . ?
C23 C24 2.01(8) . ?

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
O5 Mg1 O3 99.97(12) . . ?
O5 Mg1 O1 100.20(12) . . ?
O3 Mg1 O1 115.62(13) . . ?
O5 Mg1 O7 102.39(11) . 2_545 ?
O3 Mg1 O7 116.98(15) . 2_545 ?
O1 Mg1 O7 117.00(15) . 2_545 ?
O5 Mg1 O8 159.21(10) . 2_545 ?
O3 Mg1 O8 91.04(12) . 2_545 ?
O1 Mg1 O8 90.67(12) . 2_545 ?
O7 Mg1 O8 56.82(10) 2_545 2_545 ?
O5 Mg1 C14 130.90(11) . 2_545 ?
O3 Mg1 C14 105.48(13) . 2_545 ?
O1 Mg1 C14 105.33(13) . 2_545 ?
O7 Mg1 C14 28.51(11) 2_545 2_545 ?
O8 Mg1 C14 28.31(10) 2_545 2_545 ?
O5 Mg1 Mg2 167.70(8) . . ?
O3 Mg1 Mg2 73.97(9) . . ?
O1 Mg1 Mg2 73.72(9) . . ?
O7 Mg1 Mg2 89.91(9) 2_545 . ?
O8 Mg1 Mg2 33.09(6) 2_545 . ?
C14 Mg1 Mg2 61.40(8) 2_545 . ?
O10 Mg2 O11 64.9(5) . . ?
O10 Mg2 O4 99.6(4) . . ?
O11 Mg2 O4 164.4(4) . . ?
O10 Mg2 O2 164.7(4) . . ?
O11 Mg2 O2 99.9(4) . . ?
O4 Mg2 O2 95.67(17) . . ?
O10 Mg2 O6 95.0(4) . 1_655 ?
O11 Mg2 O6 95.2(5) . 1_655 ?
O4 Mg2 O6 87.12(12) . 1_655 ?
O2 Mg2 O6 86.78(12) . 1_655 ?
O10 Mg2 O8 89.5(4) . 2_545 ?
O11 Mg2 O8 89.2(5) . 2_545 ?
O4 Mg2 O8 89.45(14) . 2_545 ?
O2 Mg2 O8 89.54(14) . 2_545 ?
O6 Mg2 O8 174.69(12) 1_655 2_545 ?
O10 Mg2 O12 86.0(6) . . ?
O11 Mg2 O12 21.4(5) . . ?
O4 Mg2 O12 174.1(4) . . ?
O2 Mg2 O12 78.8(4) . . ?
O6 Mg2 O12 90.6(4) 1_655 . ?
O8 Mg2 O12 92.4(4) 2_545 . ?
O10 Mg2 O9 21.1(5) . . ?
O11 Mg2 O9 85.8(6) . . ?
O4 Mg2 O9 78.8(4) . . ?
O2 Mg2 O9 174.0(4) . . ?
O6 Mg2 O9 90.6(4) 1_655 . ?
O8 Mg2 O9 92.7(4) 2_545 . ?
O12 Mg2 O9 106.7(6) . . ?
O10 Mg2 Mg1 122.5(4) . . ?
O11 Mg2 Mg1 122.5(4) . . ?
O4 Mg2 Mg1 63.72(9) . . ?
O2 Mg2 Mg1 64.00(9) . . ?
O6 Mg2 Mg1 134.43(8) 1_655 . ?
O8 Mg2 Mg1 40.27(9) 2_545 . ?
O12 Mg2 Mg1 114.8(4) . . ?
O9 Mg2 Mg1 114.8(4) . . ?
C9 O5 Mg1 155.5(2) . . ?
C9 O6 Mg2 153.7(2) . 1_455 ?
C1 O1 Mg1 130.8(3) . . ?
C5 O3 Mg1 130.5(3) . . ?
C14 O7 Mg1 102.2(2) . 2 ?
C1 O2 Mg2 144.3(3) . . ?
O6 C9 O5 123.9(3) . . ?
O6 C9 C10 116.6(3) . . ?
O5 C9 C10 119.4(3) . . ?
C5 O4 Mg2 144.9(3) . . ?
C14 O8 Mg2 172.3(3) . 2 ?
C14 O8 Mg1 81.1(2) . 2 ?
Mg2 O8 Mg1 106.65(12) 2 2 ?
C16 C10 C11 116.9(3) . . ?
C16 C10 C9 122.3(3) . . ?
C11 C10 C9 120.8(3) . . ?
C7 C6 C8 118.8(4) . . ?
C7 C6 C5 121.5(3) . . ?
C8 C6 C5 119.6(4) . . ?
C3 C2 C4 119.0(4) . . ?
C3 C2 C1 120.8(3) . . ?
C4 C2 C1 120.1(4) . . ?
C15 C13 C12 117.3(3) . . ?
C15 C13 C14 120.1(3) . . ?
C12 C13 C14 122.6(3) . . ?
O2 C1 O1 126.2(4) . . ?
O2 C1 C2 116.6(3) . . ?
O1 C1 C2 117.2(3) . . ?
O4 C5 O3 125.9(4) . . ?
O4 C5 C6 117.5(3) . . ?
O3 C5 C6 116.5(3) . . ?
O8 C14 O7 119.9(3) . . ?
O8 C14 C13 121.1(3) . . ?
O7 C14 C13 119.0(3) . . ?
O8 C14 Mg1 70.6(2) . 2 ?
O7 C14 Mg1 49.28(16) . 2 ?
C13 C14 Mg1 168.3(2) . 2 ?
C6 C7 C8 120.8(4) . 3_666 ?
C6 C7 H7 119.6 . . ?
C8 C7 H7 119.6 3_666 . ?
C2 C3 C4 120.2(4) . 3_665 ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 3_665 . ?
C7 C8 C6 120.4(4) 3_666 . ?
C7 C8 H8 119.8 3_666 . ?
C6 C8 H8 119.8 . . ?
C2 C4 C3 120.7(4) . 3_665 ?
C2 C4 H4 119.6 . . ?
C3 C4 H4 119.6 3_665 . ?
C13 C15 C16 122.2(4) . . ?
C13 C15 H15 118.9 . . ?
C16 C15 H15 118.9 . . ?
C10 C16 C15 121.0(4) . . ?
C10 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C10 C11 C12 121.7(4) . . ?
C10 C11 H11 119.2 . . ?
C12 C11 H11 119.2 . . ?
C13 C12 C11 121.0(4) . . ?
C13 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C27 O10 C17 42.9(11) . . ?
C27 O10 Mg2 133.2(13) . . ?
C17 O10 Mg2 103.1(10) . . ?
C22 O9 Mg2 126.5(13) . . ?
C27 C17 N1 82.8(19) . . ?
C27 C17 O10 38.5(11) . . ?
N1 C17 O10 118.9(19) . . ?
C32 O11 Mg2 127.4(11) . . ?
O12 C37 N5 128.7(15) . . ?
C37 O12 Mg2 124.4(13) . . ?
O11 C32 N4 121.4(14) . . ?
O9 C22 N2 124.9(18) . . ?
N4 C33 C34 112.7(19) . . ?
C32 N4 C33 117.7(16) . . ?
C32 N4 C35 116.3(18) . . ?
C33 N4 C35 123.8(19) . . ?
C37 N5 C40 127.1(17) . . ?
C37 N5 C38 136(2) . . ?
C40 N5 C38 97(2) . . ?
N1 C18 C28 70(2) . . ?
N1 C18 C19 100(3) . . ?
C28 C18 C19 167(4) . . ?
N1 C18 C29 79(2) . . ?
C28 C18 C29 84(3) . . ?
C19 C18 C29 86(4) . . ?
C22 N2 C23 160(3) . . ?
C22 N2 C25 112(2) . . ?
C23 N2 C25 88(2) . . ?
C21 C28 C18 161(4) . . ?
C21 C28 N1 113(3) . . ?
C18 C28 N1 53.6(18) . . ?
C21 C28 C20 57(2) . . ?
C18 C28 C20 104(3) . . ?
N1 C28 C20 62.3(16) . . ?
C21 C28 N3 53(2) . . ?
C18 C28 N3 115(3) . . ?
N1 C28 N3 61.5(15) . . ?
C20 C28 N3 36.9(13) . . ?
C21 C28 C29 108(3) . . ?
C18 C28 C29 55(2) . . ?
N1 C28 C29 63.2(18) . . ?
C20 C28 C29 63(2) . . ?
N3 C28 C29 96.4(19) . . ?
N4 C35 C36 91.9(19) . . ?
N5 C38 C39 103(4) . . ?
N5 C40 C41 103(3) . . ?
N3 C20 C21 66(2) . . ?
N3 C20 N1 71(2) . . ?
C21 C20 N1 92(2) . . ?
N3 C20 C28 73(2) . . ?
C21 C20 C28 44.7(17) . . ?
N1 C20 C28 51.8(16) . . ?
N3 C20 C30 61(2) . . ?
C21 C20 C30 86(2) . . ?
N1 C20 C30 127(2) . . ?
C28 C20 C30 124(2) . . ?
N3 C20 C29 130(3) . . ?
C21 C20 C29 100(3) . . ?
N1 C20 C29 61.3(17) . . ?
C28 C20 C29 65(2) . . ?
C30 C20 C29 170(2) . . ?
C18 C29 N1 41.7(14) . . ?
C18 C29 C20 83(3) . . ?
N1 C29 C20 51.5(16) . . ?
C18 C29 C28 40.9(17) . . ?
N1 C29 C28 44.9(14) . . ?
C20 C29 C28 51.5(18) . . ?
C28 C21 N3 82(3) . . ?
C28 C21 C20 79(3) . . ?
N3 C21 C20 44.7(16) . . ?
C20 N3 C27 131(3) . . ?
C20 N3 C21 70(2) . . ?
C27 N3 C21 142(2) . . ?
C20 N3 C30 84(3) . . ?
C27 N3 C30 115.2(18) . . ?
C21 N3 C30 97(2) . . ?
C20 N3 N1 71(2) . . ?
C27 N3 N1 70.9(13) . . ?
C21 N3 N1 94(2) . . ?
C30 N3 N1 147.2(19) . . ?
C20 N3 C28 70(2) . . ?
C27 N3 C28 106.5(19) . . ?
C21 N3 C28 44.1(17) . . ?
C30 N3 C28 138(2) . . ?
N1 N3 C28 51.0(14) . . ?
C18 N1 C17 139(2) . . ?
C18 N1 C28 56.4(18) . . ?
C17 N1 C28 143(2) . . ?
C18 N1 C20 109(2) . . ?
C17 N1 C20 111.7(19) . . ?
C28 N1 C20 65.9(18) . . ?
C18 N1 N3 124(2) . . ?
C17 N1 N3 88.1(15) . . ?
C28 N1 N3 67.5(16) . . ?
C20 N1 N3 38.5(12) . . ?
C18 N1 C27 142.3(19) . . ?
C17 N1 C27 45.2(12) . . ?
C28 N1 C27 100.5(17) . . ?
C20 N1 C27 81.2(15) . . ?
N3 N1 C27 46.4(9) . . ?
C18 N1 C29 59.3(19) . . ?
C17 N1 C29 144(2) . . ?
C28 N1 C29 72(2) . . ?
C20 N1 C29 67(2) . . ?
N3 N1 C29 104(2) . . ?
C27 N1 C29 148.0(19) . . ?
O10 C27 C17 98.6(17) . . ?
O10 C27 N3 126.4(18) . . ?
C17 C27 N3 109.6(18) . . ?
O10 C27 N1 145.5(15) . . ?
C17 C27 N1 52.0(15) . . ?
N3 C27 N1 62.7(12) . . ?
N2 C23 C24 82(3) . . ?
C31 C30 N3 108(2) . . ?
C31 C30 C20 127(3) . . ?
N3 C30 C20 35.1(12) . . ?
C26 C25 N2 86(3) . . ?

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
O5 Mg1 Mg2 O10 140.3(6) . . . . ?
O3 Mg1 Mg2 O10 78.5(5) . . . . ?
O1 Mg1 Mg2 O10 -158.0(5) . . . . ?
O7 Mg1 Mg2 O10 -39.7(4) 2_545 . . . ?
O8 Mg1 Mg2 O10 -39.9(5) 2_545 . . . ?
C14 Mg1 Mg2 O10 -39.8(5) 2_545 . . . ?
O5 Mg1 Mg2 O11 -140.8(7) . . . . ?
O3 Mg1 Mg2 O11 157.4(5) . . . . ?
O1 Mg1 Mg2 O11 -79.0(5) . . . . ?
O7 Mg1 Mg2 O11 39.2(5) 2_545 . . . ?
O8 Mg1 Mg2 O11 39.0(5) 2_545 . . . ?
C14 Mg1 Mg2 O11 39.2(5) 2_545 . . . ?
O5 Mg1 Mg2 O4 55.7(5) . . . . ?
O3 Mg1 Mg2 O4 -6.12(15) . . . . ?
O1 Mg1 Mg2 O4 117.43(16) . . . . ?
O7 Mg1 Mg2 O4 -124.32(17) 2_545 . . . ?
O8 Mg1 Mg2 O4 -124.5(2) 2_545 . . . ?
C14 Mg1 Mg2 O4 -124.35(17) 2_545 . . . ?
O5 Mg1 Mg2 O2 -55.6(5) . . . . ?
O3 Mg1 Mg2 O2 -117.43(16) . . . . ?
O1 Mg1 Mg2 O2 6.11(15) . . . . ?
O7 Mg1 Mg2 O2 124.37(17) 2_545 . . . ?
O8 Mg1 Mg2 O2 124.2(2) 2_545 . . . ?
C14 Mg1 Mg2 O2 124.34(17) 2_545 . . . ?
O5 Mg1 Mg2 O6 -0.1(5) . . . 1_655 ?
O3 Mg1 Mg2 O6 -61.88(16) . . . 1_655 ?
O1 Mg1 Mg2 O6 61.67(16) . . . 1_655 ?
O7 Mg1 Mg2 O6 179.93(18) 2_545 . . 1_655 ?
O8 Mg1 Mg2 O6 179.7(2) 2_545 . . 1_655 ?
C14 Mg1 Mg2 O6 179.89(17) 2_545 . . 1_655 ?
O5 Mg1 Mg2 O8 -179.8(5) . . . 2_545 ?
O3 Mg1 Mg2 O8 118.4(2) . . . 2_545 ?
O1 Mg1 Mg2 O8 -118.1(2) . . . 2_545 ?
O7 Mg1 Mg2 O8 0.2(2) 2_545 . . 2_545 ?
C14 Mg1 Mg2 O8 0.2(2) 2_545 . . 2_545 ?
O5 Mg1 Mg2 O12 -118.0(7) . . . . ?
O3 Mg1 Mg2 O12 -179.8(5) . . . . ?
O1 Mg1 Mg2 O12 -56.3(5) . . . . ?
O7 Mg1 Mg2 O12 62.0(5) 2_545 . . . ?
O8 Mg1 Mg2 O12 61.8(5) 2_545 . . . ?
C14 Mg1 Mg2 O12 62.0(5) 2_545 . . . ?
O5 Mg1 Mg2 O9 117.9(7) . . . . ?
O3 Mg1 Mg2 O9 56.0(5) . . . . ?
O1 Mg1 Mg2 O9 179.6(5) . . . . ?
O7 Mg1 Mg2 O9 -62.2(5) 2_545 . . . ?
O8 Mg1 Mg2 O9 -62.4(5) 2_545 . . . ?
C14 Mg1 Mg2 O9 -62.2(5) 2_545 . . . ?
O3 Mg1 O5 C9 58.9(7) . . . . ?
O1 Mg1 O5 C9 -59.6(7) . . . . ?
O7 Mg1 O5 C9 179.6(7) 2_545 . . . ?
O8 Mg1 O5 C9 179.9(6) 2_545 . . . ?
C14 Mg1 O5 C9 179.6(6) 2_545 . . . ?
Mg2 Mg1 O5 C9 -0.4(11) . . . . ?
O5 Mg1 O1 C1 160.7(3) . . . . ?
O3 Mg1 O1 C1 54.4(4) . . . . ?
O7 Mg1 O1 C1 -89.6(4) 2_545 . . . ?
O8 Mg1 O1 C1 -37.1(4) 2_545 . . . ?
C14 Mg1 O1 C1 -61.6(4) 2_545 . . . ?
Mg2 Mg1 O1 C1 -8.3(3) . . . . ?
O5 Mg1 O3 C5 -160.6(3) . . . . ?
O1 Mg1 O3 C5 -54.1(4) . . . . ?
O7 Mg1 O3 C5 89.9(4) 2_545 . . . ?
O8 Mg1 O3 C5 37.1(4) 2_545 . . . ?
C14 Mg1 O3 C5 61.8(4) 2_545 . . . ?
Mg2 Mg1 O3 C5 8.4(3) . . . . ?
O10 Mg2 O2 C1 109.3(18) . . . . ?
O11 Mg2 O2 C1 112.0(7) . . . . ?
O4 Mg2 O2 C1 -66.5(6) . . . . ?
O6 Mg2 O2 C1 -153.3(6) 1_655 . . . ?
O8 Mg2 O2 C1 22.9(6) 2_545 . . . ?
O12 Mg2 O2 C1 115.4(7) . . . . ?
O9 Mg2 O2 C1 -89(4) . . . . ?
Mg1 Mg2 O2 C1 -9.5(5) . . . . ?
Mg2 O6 C9 O5 1.0(9) 1_455 . . . ?
Mg2 O6 C9 C10 -179.6(5) 1_455 . . . ?
Mg1 O5 C9 O6 180.0(5) . . . . ?
Mg1 O5 C9 C10 0.5(9) . . . . ?
O10 Mg2 O4 C5 -112.2(7) . . . . ?
O11 Mg2 O4 C5 -107.7(18) . . . . ?
O2 Mg2 O4 C5 66.7(6) . . . . ?
O6 Mg2 O4 C5 153.2(6) 1_655 . . . ?
O8 Mg2 O4 C5 -22.8(6) 2_545 . . . ?
O12 Mg2 O4 C5 86(4) . . . . ?
O9 Mg2 O4 C5 -115.7(7) . . . . ?
Mg1 Mg2 O4 C5 9.4(5) . . . . ?
O6 C9 C10 C16 -179.8(5) . . . . ?
O5 C9 C10 C16 -0.3(7) . . . . ?
O6 C9 C10 C11 0.5(6) . . . . ?
O5 C9 C10 C11 179.9(5) . . . . ?
Mg2 O2 C1 O1 7.1(9) . . . . ?
Mg2 O2 C1 C2 -172.9(4) . . . . ?
Mg1 O1 C1 O2 6.9(7) . . . . ?
Mg1 O1 C1 C2 -173.0(3) . . . . ?
C3 C2 C1 O2 -177.1(4) . . . . ?
C4 C2 C1 O2 2.2(6) . . . . ?
C3 C2 C1 O1 2.9(6) . . . . ?
C4 C2 C1 O1 -177.9(4) . . . . ?
Mg2 O4 C5 O3 -7.0(9) . . . . ?
Mg2 O4 C5 C6 172.8(4) . . . . ?
Mg1 O3 C5 O4 -7.1(7) . . . . ?
Mg1 O3 C5 C6 173.1(3) . . . . ?
C7 C6 C5 O4 177.2(4) . . . . ?
C8 C6 C5 O4 -2.1(6) . . . . ?
C7 C6 C5 O3 -3.0(6) . . . . ?
C8 C6 C5 O3 177.7(4) . . . . ?
Mg2 O8 C14 O7 178(100) 2 . . . ?
Mg1 O8 C14 O7 0.1(4) 2 . . . ?
Mg2 O8 C14 C13 -2(3) 2 . . . ?
Mg1 O8 C14 C13 179.9(4) 2 . . . ?
Mg2 O8 C14 Mg1 178(100) 2 . . 2 ?
Mg1 O7 C14 O8 -0.1(5) 2 . . . ?
Mg1 O7 C14 C13 -179.9(3) 2 . . . ?
C15 C13 C14 O8 -179.7(5) . . . . ?
C12 C13 C14 O8 0.4(8) . . . . ?
C15 C13 C14 O7 0.1(7) . . . . ?
C12 C13 C14 O7 -179.8(6) . . . . ?
C15 C13 C14 Mg1 -0.3(18) . . . 2 ?
C12 C13 C14 Mg1 180(100) . . . 2 ?
C8 C6 C7 C8 -1.4(8) . . . 3_666 ?
C5 C6 C7 C8 179.4(4) . . . 3_666 ?
C4 C2 C3 C4 1.2(8) . . . 3_665 ?
C1 C2 C3 C4 -179.5(4) . . . 3_665 ?
C7 C6 C8 C7 1.4(8) . . . 3_666 ?
C5 C6 C8 C7 -179.4(4) . . . 3_666 ?
C3 C2 C4 C3 -1.2(9) . . . 3_665 ?
C1 C2 C4 C3 179.5(4) . . . 3_665 ?
C12 C13 C15 C16 0.1(11) . . . . ?
C14 C13 C15 C16 -179.8(6) . . . . ?
C11 C10 C16 C15 0.0(10) . . . . ?
C9 C10 C16 C15 -179.8(6) . . . . ?
C13 C15 C16 C10 -0.2(12) . . . . ?
C16 C10 C11 C12 0.3(10) . . . . ?
C9 C10 C11 C12 -179.9(6) . . . . ?
C15 C13 C12 C11 0.2(11) . . . . ?
C14 C13 C12 C11 -179.9(6) . . . . ?
C10 C11 C12 C13 -0.4(12) . . . . ?
O11 Mg2 O10 C27 112.1(18) . . . . ?
O4 Mg2 O10 C27 -69.2(17) . . . . ?
O2 Mg2 O10 C27 114.9(19) . . . . ?
O6 Mg2 O10 C27 18.7(17) 1_655 . . . ?
O8 Mg2 O10 C27 -158.6(17) 2_545 . . . ?
O12 Mg2 O10 C27 108.9(18) . . . . ?
O9 Mg2 O10 C27 -60(2) . . . . ?
Mg1 Mg2 O10 C27 -134.1(16) . . . . ?
O11 Mg2 O10 C17 147.7(12) . . . . ?
O4 Mg2 O10 C17 -33.6(10) . . . . ?
O2 Mg2 O10 C17 150.5(15) . . . . ?
O6 Mg2 O10 C17 54.3(10) 1_655 . . . ?
O8 Mg2 O10 C17 -123.0(10) 2_545 . . . ?
O12 Mg2 O10 C17 144.5(11) . . . . ?
O9 Mg2 O10 C17 -24(2) . . . . ?
Mg1 Mg2 O10 C17 -98.5(10) . . . . ?
O10 Mg2 O9 C22 94(3) . . . . ?
O11 Mg2 O9 C22 87(2) . . . . ?
O4 Mg2 O9 C22 -96(2) . . . . ?
O2 Mg2 O9 C22 -72(5) . . . . ?
O6 Mg2 O9 C22 -9(2) 1_655 . . . ?
O8 Mg2 O9 C22 176(2) 2_545 . . . ?
O12 Mg2 O9 C22 82(2) . . . . ?
Mg1 Mg2 O9 C22 -149(2) . . . . ?
Mg2 O10 C17 C27 -141.4(16) . . . . ?
C27 O10 C17 N1 -22.7(17) . . . . ?
Mg2 O10 C17 N1 -164.1(16) . . . . ?
O10 Mg2 O11 C32 -120.0(15) . . . . ?
O4 Mg2 O11 C32 -124.8(15) . . . . ?
O2 Mg2 O11 C32 60.8(14) . . . . ?
O6 Mg2 O11 C32 -26.8(14) 1_655 . . . ?
O8 Mg2 O11 C32 150.2(14) 2_545 . . . ?
O12 Mg2 O11 C32 51.4(18) . . . . ?
O9 Mg2 O11 C32 -117.0(14) . . . . ?
Mg1 Mg2 O11 C32 126.2(13) . . . . ?
N5 C37 O12 Mg2 161.0(11) . . . . ?
O10 Mg2 O12 C37 -109.4(17) . . . . ?
O11 Mg2 O12 C37 -117(3) . . . . ?
O4 Mg2 O12 C37 53(5) . . . . ?
O2 Mg2 O12 C37 72.2(16) . . . . ?
O6 Mg2 O12 C37 -14.4(16) 1_655 . . . ?
O8 Mg2 O12 C37 161.3(16) 2_545 . . . ?
O9 Mg2 O12 C37 -105.1(17) . . . . ?
Mg1 Mg2 O12 C37 126.5(15) . . . . ?
Mg2 O11 C32 N4 -174.1(11) . . . . ?
Mg2 O9 C22 N2 -162.3(16) . . . . ?
O11 C32 N4 C33 -1(2) . . . . ?
O11 C32 N4 C35 -164.3(18) . . . . ?
C34 C33 N4 C32 -87(2) . . . . ?
C34 C33 N4 C35 75(3) . . . . ?
O12 C37 N5 C40 -176(2) . . . . ?
O12 C37 N5 C38 0(4) . . . . ?
O9 C22 N2 C23 -144(8) . . . . ?
O9 C22 N2 C25 28(3) . . . . ?
N1 C18 C28 C21 -50(11) . . . . ?
C19 C18 C28 C21 -6(26) . . . . ?
C29 C18 C28 C21 31(11) . . . . ?
C19 C18 C28 N1 44(18) . . . . ?
C29 C18 C28 N1 80(2) . . . . ?
N1 C18 C28 C20 -38(2) . . . . ?
C19 C18 C28 C20 5(20) . . . . ?
C29 C18 C28 C20 42(3) . . . . ?
N1 C18 C28 N3 -1(2) . . . . ?
C19 C18 C28 N3 43(20) . . . . ?
C29 C18 C28 N3 80(3) . . . . ?
N1 C18 C28 C29 -80(2) . . . . ?
C19 C18 C28 C29 -37(18) . . . . ?
C32 N4 C35 C36 -98.4(19) . . . . ?
C33 N4 C35 C36 99(2) . . . . ?
C37 N5 C38 C39 -73(4) . . . . ?
C40 N5 C38 C39 104(3) . . . . ?
C37 N5 C40 C41 -74(3) . . . . ?
C38 N5 C40 C41 109(3) . . . . ?
C21 C28 C20 N3 -72(3) . . . . ?
C18 C28 C20 N3 113(3) . . . . ?
N1 C28 C20 N3 78(2) . . . . ?
C29 C28 C20 N3 151(3) . . . . ?
C18 C28 C20 C21 -176(4) . . . . ?
N1 C28 C20 C21 150(3) . . . . ?
N3 C28 C20 C21 72(3) . . . . ?
C29 C28 C20 C21 -138(3) . . . . ?
C21 C28 C20 N1 -150(3) . . . . ?
C18 C28 C20 N1 34(2) . . . . ?
N3 C28 C20 N1 -78(2) . . . . ?
C29 C28 C20 N1 72(2) . . . . ?
C21 C28 C20 C30 -37(3) . . . . ?
C18 C28 C20 C30 148(3) . . . . ?
N1 C28 C20 C30 114(3) . . . . ?
N3 C28 C20 C30 35(2) . . . . ?
C29 C28 C20 C30 -174(3) . . . . ?
C21 C28 C20 C29 138(3) . . . . ?
C18 C28 C20 C29 -38(3) . . . . ?
N1 C28 C20 C29 -72(2) . . . . ?
N3 C28 C20 C29 -151(3) . . . . ?
C28 C18 C29 N1 -71(2) . . . . ?
C19 C18 C29 N1 102(3) . . . . ?
N1 C18 C29 C20 36(2) . . . . ?
C28 C18 C29 C20 -35(2) . . . . ?
C19 C18 C29 C20 137(3) . . . . ?
N1 C18 C29 C28 71(2) . . . . ?
C19 C18 C29 C28 172(4) . . . . ?
N3 C20 C29 C18 -9(4) . . . . ?
C21 C20 C29 C18 57(3) . . . . ?
N1 C20 C29 C18 -29.9(18) . . . . ?
C28 C20 C29 C18 28.5(19) . . . . ?
C30 C20 C29 C18 -179(13) . . . . ?
N3 C20 C29 N1 21(3) . . . . ?
C21 C20 C29 N1 87(2) . . . . ?
C28 C20 C29 N1 58.4(16) . . . . ?
C30 C20 C29 N1 -149(13) . . . . ?
N3 C20 C29 C28 -38(4) . . . . ?
C21 C20 C29 C28 29(2) . . . . ?
N1 C20 C29 C28 -58.4(16) . . . . ?
C30 C20 C29 C28 153(13) . . . . ?
C21 C28 C29 C18 -170(4) . . . . ?
N1 C28 C29 C18 -63(2) . . . . ?
C20 C28 C29 C18 -134(3) . . . . ?
N3 C28 C29 C18 -116(3) . . . . ?
C21 C28 C29 N1 -107(3) . . . . ?
C18 C28 C29 N1 63(2) . . . . ?
C20 C28 C29 N1 -70.8(18) . . . . ?
N3 C28 C29 N1 -53.5(16) . . . . ?
C21 C28 C29 C20 -36(3) . . . . ?
C18 C28 C29 C20 134(3) . . . . ?
N1 C28 C29 C20 70.8(18) . . . . ?
N3 C28 C29 C20 17.3(17) . . . . ?
C18 C28 C21 N3 59(11) . . . . ?
N1 C28 C21 N3 17(3) . . . . ?
C20 C28 C21 N3 45.2(15) . . . . ?
C29 C28 C21 N3 84(2) . . . . ?
C18 C28 C21 C20 13(11) . . . . ?
N1 C28 C21 C20 -29(3) . . . . ?
N3 C28 C21 C20 -45.2(15) . . . . ?
C29 C28 C21 C20 39(3) . . . . ?
N3 C20 C21 C28 91(3) . . . . ?
N1 C20 C21 C28 23(2) . . . . ?
C30 C20 C21 C28 150(3) . . . . ?
C29 C20 C21 C28 -38(3) . . . . ?
N1 C20 C21 N3 -68(2) . . . . ?
C28 C20 C21 N3 -91(3) . . . . ?
C30 C20 C21 N3 59(2) . . . . ?
C29 C20 C21 N3 -129(3) . . . . ?
C21 C20 N3 C27 -142(3) . . . . ?
N1 C20 N3 C27 -40(3) . . . . ?
C28 C20 N3 C27 -95(3) . . . . ?
C30 C20 N3 C27 119(3) . . . . ?
C29 C20 N3 C27 -59(5) . . . . ?
N1 C20 N3 C21 102(2) . . . . ?
C28 C20 N3 C21 47.2(17) . . . . ?
C30 C20 N3 C21 -100(2) . . . . ?
C29 C20 N3 C21 82(4) . . . . ?
C21 C20 N3 C30 100(2) . . . . ?
N1 C20 N3 C30 -158.6(16) . . . . ?
C28 C20 N3 C30 146.9(19) . . . . ?
C29 C20 N3 C30 -178(3) . . . . ?
C21 C20 N3 N1 -102(2) . . . . ?
C28 C20 N3 N1 -54.5(14) . . . . ?
C30 C20 N3 N1 158.6(16) . . . . ?
C29 C20 N3 N1 -19(3) . . . . ?
C21 C20 N3 C28 -47.2(17) . . . . ?
N1 C20 N3 C28 54.5(15) . . . . ?
C30 C20 N3 C28 -146.9(19) . . . . ?
C29 C20 N3 C28 35(3) . . . . ?
C28 C21 N3 C20 -81(3) . . . . ?
C28 C21 N3 C27 50(4) . . . . ?
C20 C21 N3 C27 131(4) . . . . ?
C28 C21 N3 C30 -162(3) . . . . ?
C20 C21 N3 C30 -81(3) . . . . ?
C28 C21 N3 N1 -14(2) . . . . ?
C20 C21 N3 N1 68(2) . . . . ?
C20 C21 N3 C28 81(3) . . . . ?
C21 C28 N3 C20 81(3) . . . . ?
C18 C28 N3 C20 -80(3) . . . . ?
N1 C28 N3 C20 -81(2) . . . . ?
C29 C28 N3 C20 -26(3) . . . . ?
C21 C28 N3 C27 -150(3) . . . . ?
C18 C28 N3 C27 48(3) . . . . ?
N1 C28 N3 C27 47.2(17) . . . . ?
C20 C28 N3 C27 128(3) . . . . ?
C29 C28 N3 C27 102(2) . . . . ?
C18 C28 N3 C21 -162(4) . . . . ?
N1 C28 N3 C21 -163(3) . . . . ?
C20 C28 N3 C21 -81(3) . . . . ?
C29 C28 N3 C21 -108(3) . . . . ?
C21 C28 N3 C30 27(4) . . . . ?
C18 C28 N3 C30 -135(3) . . . . ?
N1 C28 N3 C30 -136(3) . . . . ?
C20 C28 N3 C30 -55(3) . . . . ?
C29 C28 N3 C30 -81(3) . . . . ?
C21 C28 N3 N1 163(3) . . . . ?
C18 C28 N3 N1 1(2) . . . . ?
C20 C28 N3 N1 81(2) . . . . ?
C29 C28 N3 N1 54.8(19) . . . . ?
C28 C18 N1 C17 -134(3) . . . . ?
C19 C18 N1 C17 55(5) . . . . ?
C29 C18 N1 C17 138(3) . . . . ?
C19 C18 N1 C28 -171(4) . . . . ?
C29 C18 N1 C28 -88(3) . . . . ?
C28 C18 N1 C20 41(3) . . . . ?
C19 C18 N1 C20 -130(4) . . . . ?
C29 C18 N1 C20 -47(3) . . . . ?
C28 C18 N1 N3 1(3) . . . . ?
C19 C18 N1 N3 -170(3) . . . . ?
C29 C18 N1 N3 -87(3) . . . . ?
C28 C18 N1 C27 -60(4) . . . . ?
C19 C18 N1 C27 129(4) . . . . ?
C29 C18 N1 C27 -148(3) . . . . ?
C28 C18 N1 C29 88(3) . . . . ?
C19 C18 N1 C29 -83(4) . . . . ?
C27 C17 N1 C18 124(3) . . . . ?
O10 C17 N1 C18 138(3) . . . . ?
C27 C17 N1 C28 27(4) . . . . ?
O10 C17 N1 C28 41(4) . . . . ?
C27 C17 N1 C20 -51(2) . . . . ?
O10 C17 N1 C20 -37(2) . . . . ?
C27 C17 N1 N3 -19.9(14) . . . . ?
O10 C17 N1 N3 -6.0(18) . . . . ?
O10 C17 N1 C27 14.0(11) . . . . ?
C27 C17 N1 C29 -132(4) . . . . ?
O10 C17 N1 C29 -118(4) . . . . ?
C21 C28 N1 C18 164(4) . . . . ?
C20 C28 N1 C18 137(3) . . . . ?
N3 C28 N1 C18 179(2) . . . . ?
C29 C28 N1 C18 65(2) . . . . ?
C21 C28 N1 C17 -68(5) . . . . ?
C18 C28 N1 C17 128(4) . . . . ?
C20 C28 N1 C17 -95(4) . . . . ?
N3 C28 N1 C17 -53(3) . . . . ?
C29 C28 N1 C17 -167(4) . . . . ?
C21 C28 N1 C20 27(3) . . . . ?
C18 C28 N1 C20 -137(3) . . . . ?
N3 C28 N1 C20 42.0(13) . . . . ?
C29 C28 N1 C20 -73(2) . . . . ?
C21 C28 N1 N3 -15(3) . . . . ?
C18 C28 N1 N3 -179(2) . . . . ?
C20 C28 N1 N3 -42.0(13) . . . . ?
C29 C28 N1 N3 -115(2) . . . . ?
C21 C28 N1 C27 -48(3) . . . . ?
C18 C28 N1 C27 147(2) . . . . ?
C20 C28 N1 C27 -75.3(17) . . . . ?
N3 C28 N1 C27 -33.2(12) . . . . ?
C29 C28 N1 C27 -147.8(18) . . . . ?
C21 C28 N1 C29 99(3) . . . . ?
C18 C28 N1 C29 -65(2) . . . . ?
C20 C28 N1 C29 73(2) . . . . ?
N3 C28 N1 C29 115(2) . . . . ?
N3 C20 N1 C18 -120(2) . . . . ?
C21 C20 N1 C18 -57(3) . . . . ?
C28 C20 N1 C18 -37(2) . . . . ?
C30 C20 N1 C18 -144(3) . . . . ?
C29 C20 N1 C18 43(3) . . . . ?
N3 C20 N1 C17 56(2) . . . . ?
C21 C20 N1 C17 119(2) . . . . ?
C28 C20 N1 C17 140(2) . . . . ?
C30 C20 N1 C17 33(3) . . . . ?
C29 C20 N1 C17 -141(2) . . . . ?
N3 C20 N1 C28 -84(2) . . . . ?
C21 C20 N1 C28 -20(2) . . . . ?
C30 C20 N1 C28 -107(3) . . . . ?
C29 C20 N1 C28 80(2) . . . . ?
C21 C20 N1 N3 63(2) . . . . ?
C28 C20 N1 N3 84(2) . . . . ?
C30 C20 N1 N3 -23.6(18) . . . . ?
C29 C20 N1 N3 163(3) . . . . ?
N3 C20 N1 C27 22.1(17) . . . . ?
C21 C20 N1 C27 85(2) . . . . ?
C28 C20 N1 C27 105.7(17) . . . . ?
C30 C20 N1 C27 -1(2) . . . . ?
C29 C20 N1 C27 -174.7(19) . . . . ?
N3 C20 N1 C29 -163(3) . . . . ?
C21 C20 N1 C29 -100(3) . . . . ?
C28 C20 N1 C29 -80(2) . . . . ?
C30 C20 N1 C29 173(3) . . . . ?
C20 N3 N1 C18 78(3) . . . . ?
C27 N3 N1 C18 -133(2) . . . . ?
C21 N3 N1 C18 11(3) . . . . ?
C30 N3 N1 C18 120(3) . . . . ?
C28 N3 N1 C18 -1(2) . . . . ?
C20 N3 N1 C17 -130(2) . . . . ?
C27 N3 N1 C17 19.6(14) . . . . ?
C21 N3 N1 C17 164(2) . . . . ?
C30 N3 N1 C17 -88(3) . . . . ?
C28 N3 N1 C17 151(2) . . . . ?
C20 N3 N1 C28 79(2) . . . . ?
C27 N3 N1 C28 -131.9(18) . . . . ?
C21 N3 N1 C28 12(2) . . . . ?
C30 N3 N1 C28 121(3) . . . . ?
C27 N3 N1 C20 149(2) . . . . ?
C21 N3 N1 C20 -67(2) . . . . ?
C30 N3 N1 C20 42(3) . . . . ?
C28 N3 N1 C20 -79(2) . . . . ?
C20 N3 N1 C27 -149(2) . . . . ?
C21 N3 N1 C27 144(2) . . . . ?
C30 N3 N1 C27 -107(3) . . . . ?
C28 N3 N1 C27 131.9(18) . . . . ?
C20 N3 N1 C29 16(3) . . . . ?
C27 N3 N1 C29 165.0(18) . . . . ?
C21 N3 N1 C29 -51(2) . . . . ?
C30 N3 N1 C29 58(4) . . . . ?
C28 N3 N1 C29 -63(2) . . . . ?
C20 C29 N1 C18 -132(3) . . . . ?
C28 C29 N1 C18 -61(2) . . . . ?
C18 C29 N1 C17 -132(4) . . . . ?
C20 C29 N1 C17 96(4) . . . . ?
C28 C29 N1 C17 167(4) . . . . ?
C18 C29 N1 C28 61(2) . . . . ?
C20 C29 N1 C28 -71(2) . . . . ?
C18 C29 N1 C20 132(3) . . . . ?
C28 C29 N1 C20 71(2) . . . . ?
C18 C29 N1 N3 121(2) . . . . ?
C20 C29 N1 N3 -10.7(17) . . . . ?
C28 C29 N1 N3 60.1(17) . . . . ?
C18 C29 N1 C27 142(3) . . . . ?
C20 C29 N1 C27 10(4) . . . . ?
C28 C29 N1 C27 81(3) . . . . ?
Mg2 O10 C27 C17 56(2) . . . . ?
C17 O10 C27 N3 122(2) . . . . ?
Mg2 O10 C27 N3 178.6(14) . . . . ?
C17 O10 C27 N1 28(2) . . . . ?
Mg2 O10 C27 N1 85(3) . . . . ?
N1 C17 C27 O10 160.1(15) . . . . ?
N1 C17 C27 N3 26.4(19) . . . . ?
O10 C17 C27 N3 -134(2) . . . . ?
O10 C17 C27 N1 -160.1(15) . . . . ?
C20 N3 C27 O10 -101(4) . . . . ?
C21 N3 C27 O10 149(3) . . . . ?
C30 N3 C27 O10 4(3) . . . . ?
N1 N3 C27 O10 -141(2) . . . . ?
C28 N3 C27 O10 -178(2) . . . . ?
C20 N3 C27 C17 17(4) . . . . ?
C21 N3 C27 C17 -94(4) . . . . ?
C30 N3 C27 C17 122(2) . . . . ?
N1 N3 C27 C17 -23.2(18) . . . . ?
C28 N3 C27 C17 -60(2) . . . . ?
C20 N3 C27 N1 40(3) . . . . ?
C21 N3 C27 N1 -71(4) . . . . ?
C30 N3 C27 N1 145(2) . . . . ?
C28 N3 C27 N1 -37.1(15) . . . . ?
C18 N1 C27 O10 -153(3) . . . . ?
C17 N1 C27 O10 -36(3) . . . . ?
C28 N1 C27 O10 160(3) . . . . ?
C20 N1 C27 O10 97(3) . . . . ?
N3 N1 C27 O10 115(3) . . . . ?
C29 N1 C27 O10 87(4) . . . . ?
C18 N1 C27 C17 -117(4) . . . . ?
C28 N1 C27 C17 -164(2) . . . . ?
C20 N1 C27 C17 133(2) . . . . ?
N3 N1 C27 C17 152(2) . . . . ?
C29 N1 C27 C17 124(4) . . . . ?
C18 N1 C27 N3 91(3) . . . . ?
C17 N1 C27 N3 -152(2) . . . . ?
C28 N1 C27 N3 44.4(18) . . . . ?
C20 N1 C27 N3 -18.9(14) . . . . ?
C29 N1 C27 N3 -28(4) . . . . ?
C22 N2 C23 C24 35(9) . . . . ?
C25 N2 C23 C24 -137(3) . . . . ?
C20 N3 C30 C31 -129(3) . . . . ?
C27 N3 C30 C31 98(3) . . . . ?
C21 N3 C30 C31 -60(3) . . . . ?
N1 N3 C30 C31 -168(3) . . . . ?
C28 N3 C30 C31 -79(4) . . . . ?
C27 N3 C30 C20 -133(3) . . . . ?
C21 N3 C30 C20 69(2) . . . . ?
N1 N3 C30 C20 -39(3) . . . . ?
C28 N3 C30 C20 50(3) . . . . ?
N3 C20 C30 C31 67(3) . . . . ?
C21 C20 C30 C31 3(4) . . . . ?
N1 C20 C30 C31 93(4) . . . . ?
C28 C20 C30 C31 28(4) . . . . ?
C29 C20 C30 C31 -122(13) . . . . ?
C21 C20 C30 N3 -64(2) . . . . ?
N1 C20 C30 N3 26(2) . . . . ?
C28 C20 C30 N3 -39(2) . . . . ?
C29 C20 C30 N3 171(14) . . . . ?
C22 N2 C25 C26 105(3) . . . . ?
C23 N2 C25 C26 -78(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.571
_refine_diff_density_min         -0.420
_refine_diff_density_rms         0.071
