# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
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data_compound1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C37 H33 Mg3 N2 O18'
_chemical_formula_weight         866.58

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   P2(1)/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.3593(4)
_cell_length_b                   22.5823(8)
_cell_length_c                   16.5923(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.129(2)
_cell_angle_gamma                90.00
_cell_volume                     4253.3(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    3226
_cell_measurement_theta_min      2.46
_cell_measurement_theta_max      22.16

_exptl_crystal_description       Rectangular
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.353
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1796
_exptl_absorpt_coefficient_mu    0.147
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.9883
_exptl_absorpt_correction_T_max  0.9927
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      120(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 APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            57145
_diffrn_reflns_av_R_equivalents  0.1854
_diffrn_reflns_av_sigmaI/netI    0.1539
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.46
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7457
_reflns_number_gt                3619
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT  A'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2σ(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)+(0.1281P)²+19.7524P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    noref
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7457
_refine_ls_number_parameters     526
_refine_ls_number_restraints     16
_refine_ls_R_factor_all          0.2042
_refine_ls_R_factor_gt           0.0992
_refine_ls_wR_factor_ref         0.2988
_refine_ls_wR_factor_gt          0.2302
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_restrained_S_all      1.013
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
C1 C 0.4140(6) 0.1169(3) 0.5151(4) 0.0198(16) Uani 1 1 d . . .
C2 C 0.4206(7) 0.0597(3) 0.5647(4) 0.0244(17) Uani 1 1 d . . .
C3 C 0.3538(7) 0.0135(3) 0.5384(4) 0.0289(19) Uani 1 1 d . . .
H3 H 0.3087 0.0176 0.4894 0.035 Uiso 1 1 calc R . .
C4 C 0.3487(7) -0.0399(3) 0.5804(5) 0.0306(19) Uani 1 1 d . . .
H4 H 0.2986 -0.0708 0.5608 0.037 Uiso 1 1 calc R . .
C5 C 0.4149(7) -0.0479(3) 0.6493(4) 0.0242(18) Uani 1 1 d . . .
C6 C 0.4893(8) -0.0008(3) 0.6807(5) 0.032(2) Uani 1 1 d . . .
C7 C 0.4925(7) 0.0539(3) 0.6375(5) 0.0296(19) Uani 1 1 d . . .
C8 C 0.5674(8) 0.0989(4) 0.6704(5) 0.043(2) Uani 1 1 d . . .
H8 H 0.5738 0.1351 0.6418 0.052 Uiso 1 1 calc R . .
C9 C 0.6291(10) 0.0924(4) 0.7399(6) 0.069(4) Uani 1 1 d . . .
H9 H 0.6773 0.1239 0.7599 0.082 Uiso 1 1 calc R . .
C10 C 0.6230(11) 0.0386(5) 0.7840(6) 0.078(4) Uani 1 1 d . . .
H10 H 0.6661 0.0340 0.8337 0.093 Uiso 1 1 calc R . .
C11 C 0.5540(9) -0.0065(4) 0.7537(5) 0.050(3) Uani 1 1 d . . .
H11 H 0.5501 -0.0426 0.7829 0.060 Uiso 1 1 calc R . .
C12 C 0.4118(7) -0.1060(3) 0.6923(4) 0.0211(17) Uani 1 1 d . . .
C13 C 0.5285(6) 0.3793(3) 0.5606(4) 0.0209(17) Uani 1 1 d . . .
C14 C 0.1642(17) 0.4499(11) 0.5059(19) 0.107(9) Uani 0.50 1 d PDU . .
H14 H 0.0966 0.4276 0.5192 0.129 Uiso 0.50 1 calc PR . .
C15 C 0.2884(14) 0.4308(8) 0.5187(16) 0.071(7) Uani 0.50 1 d PD . .
H15 H 0.2975 0.3912 0.5372 0.085 Uiso 0.50 1 calc PR . .
C16 C 0.4029(8) 0.4631(4) 0.5075(6) 0.045(2) Uani 1 1 d . . .
C17 C 0.5139(7) 0.4421(3) 0.5291(4) 0.0257(18) Uani 1 1 d . . .
C18 C 0.6109(9) 0.4777(4) 0.5233(6) 0.047(2) Uani 1 1 d . . .
C19 C 0.7324(19) 0.4571(9) 0.5419(16) 0.076(8) Uani 0.50 1 d P . .
H19 H 0.7422 0.4182 0.5629 0.091 Uiso 0.50 1 calc PR . .
C20 C 0.836(2) 0.4915(12) 0.5305(19) 0.107(9) Uani 0.50 1 d PU . .
H20 H 0.9102 0.4751 0.5476 0.128 Uiso 0.50 1 calc PR . .
C21 C 0.2086(6) 0.2384(3) 0.4777(4) 0.0200(16) Uani 1 1 d . . .
C22 C 0.0861(6) 0.2402(3) 0.5095(4) 0.0211(16) Uani 1 1 d . . .
C23 C 0.0313(7) 0.2920(4) 0.5207(5) 0.036(2) Uani 1 1 d . . .
H23 H 0.0732 0.3276 0.5113 0.043 Uiso 1 1 calc R . .
C24 C -0.0851(7) 0.2961(4) 0.5454(5) 0.038(2) Uani 1 1 d . . .
H24 H -0.1210 0.3337 0.5516 0.046 Uiso 1 1 calc R . .
C25 C -0.1470(6) 0.2452(3) 0.5608(4) 0.0225(17) Uani 1 1 d . . .
C26 C -0.0936(7) 0.1893(3) 0.5523(5) 0.0264(18) Uani 1 1 d . . .
C27 C 0.0254(7) 0.1861(3) 0.5264(5) 0.0272(18) Uani 1 1 d . . .
C28 C 0.0804(8) 0.1298(4) 0.5194(7) 0.054(3) Uani 1 1 d . . .
H28 H 0.1585 0.1272 0.5012 0.065 Uiso 1 1 calc R . .
C29 C 0.0209(9) 0.0793(5) 0.5388(8) 0.080(4) Uani 1 1 d . . .
H29 H 0.0582 0.0419 0.5340 0.096 Uiso 1 1 calc R . .
C30 C -0.0958(9) 0.0823(4) 0.5659(7) 0.067(3) Uani 1 1 d . . .
H30 H -0.1354 0.0471 0.5805 0.080 Uiso 1 1 calc R . .
C31 C -0.1514(8) 0.1355(4) 0.5712(6) 0.045(2) Uani 1 1 d . . .
H31 H -0.2305 0.1366 0.5878 0.054 Uiso 1 1 calc R . .
C32 C -0.2699(6) 0.2506(3) 0.5911(4) 0.0206(16) Uani 1 1 d . . .
C33 C 0.5620(7) 0.2622(3) 0.3728(4) 0.0233(17) Uani 1 1 d . . .
H33 H 0.5984 0.2937 0.4024 0.028 Uiso 1 1 calc R . .
C34 C 0.3556(7) 0.2492(3) 0.6950(4) 0.0237(17) Uani 1 1 d . . .
H34 H 0.3049 0.2214 0.6682 0.028 Uiso 1 1 calc R . .
C35 C 0.151(2) 0.1576(12) 0.8123(15) 0.190(10) Uiso 1 1 d . . .
H35 H 0.1716 0.1916 0.8434 0.228 Uiso 1 1 calc R . .
C36 C 0.214(2) 0.0749(10) 0.7307(14) 0.186(9) Uiso 1 1 d . . .
H36A H 0.1420 0.0860 0.6995 0.280 Uiso 1 1 calc R . .
H36B H 0.2035 0.0354 0.7539 0.280 Uiso 1 1 calc R . .
H36C H 0.2807 0.0746 0.6953 0.280 Uiso 1 1 calc R . .
C37 C 0.3518(13) 0.1235(7) 0.8267(9) 0.112(5) Uiso 1 1 d . . .
H37A H 0.4000 0.1434 0.7870 0.168 Uiso 1 1 calc R . .
H37B H 0.3846 0.0842 0.8387 0.168 Uiso 1 1 calc R . .
H37C H 0.3517 0.1471 0.8763 0.168 Uiso 1 1 calc R . .
C38 C 0.0301(13) 0.2741(11) 0.7374(9) 0.168(7) Uani 1 1 d . . .
H38A H 0.0869 0.2832 0.7816 0.252 Uiso 1 1 calc R . .
H38B H 0.0172 0.3095 0.7040 0.252 Uiso 1 1 calc R . .
H38C H 0.0610 0.2421 0.7044 0.252 Uiso 1 1 calc R . .
C39 C -0.1188(14) 0.2687(11) 0.8425(9) 0.168(7) Uani 1 1 d . . .
H39A H -0.0530 0.2793 0.8796 0.252 Uiso 1 1 calc R . .
H39B H -0.1593 0.2339 0.8633 0.252 Uiso 1 1 calc R . .
H39C H -0.1741 0.3019 0.8380 0.252 Uiso 1 1 calc R . .
N1 N 0.2350(14) 0.1176(7) 0.7951(9) 0.125(5) Uiso 1 1 d . . .
N2 N -0.0774(10) 0.2563(7) 0.7694(7) 0.123(5) Uani 1 1 d . . .
H2A H -0.1347 0.2693 0.7330 0.148 Uiso 1 1 calc R . .
H2B H -0.0778 0.2156 0.7659 0.148 Uiso 1 1 calc R . .
O1 O 0.4334(5) 0.1642(2) 0.5522(3) 0.0306(13) Uani 1 1 d . . .
O2 O 0.3845(5) 0.1124(2) 0.4429(3) 0.0257(12) Uani 1 1 d . . .
O1W O 0.2404(5) 0.1176(3) 0.2966(3) 0.0479(17) Uani 1 1 d D . .
H1O1 H 0.2361 0.0943 0.2525 0.072 Uiso 1 1 d RD . .
H2O1 H 0.1769 0.1038 0.3218 0.072 Uiso 1 1 d RD . .
O3 O 0.5080(4) -0.1338(2) 0.7101(3) 0.0216(12) Uani 1 1 d . . .
O2W O 0.103(3) 0.0364(17) 0.239(2) 0.229(15) Uiso 0.50 1 d P A 1
O2WA O 0.010(5) -0.055(2) 0.693(3) 0.33(2) Uiso 0.50 1 d P B 2
O4 O 0.3149(5) -0.1267(2) 0.7135(3) 0.0274(13) Uani 1 1 d . . .
O5 O 0.5781(5) 0.3732(2) 0.6278(3) 0.0278(13) Uani 1 1 d . . .
O3W O 0.2394(15) 0.3713(8) 0.6257(10) 0.212(7) Uiso 1 1 d . . .
O6 O 0.4865(4) 0.3392(2) 0.5164(3) 0.0233(12) Uani 1 1 d . . .
O7 O 0.2857(4) 0.2665(2) 0.5178(3) 0.0285(13) Uani 1 1 d . . .
O8 O 0.2224(4) 0.2111(2) 0.4142(3) 0.0273(13) Uani 1 1 d . . .
O9 O -0.2757(4) 0.2693(2) 0.6625(3) 0.0276(12) Uani 1 1 d . . .
O10 O -0.3547(4) 0.2376(2) 0.5455(3) 0.0257(12) Uani 1 1 d . . .
O11 O 0.4827(4) 0.2348(2) 0.4077(3) 0.0195(11) Uani 1 1 d . . .
O12 O 0.5992(4) 0.2532(2) 0.3039(3) 0.0234(12) Uani 1 1 d . . .
O13 O 0.4471(4) 0.2650(2) 0.6583(3) 0.0192(11) Uani 1 1 d . . .
O14 O 0.3271(4) 0.2664(2) 0.7611(3) 0.0274(12) Uani 1 1 d . . .
O15 O 0.036(2) 0.1491(9) 0.7848(13) 0.257(9) Uiso 1 1 d . . .
Mg1 Mg 0.4641(2) 0.25056(10) 0.53215(13) 0.0152(5) Uani 1 1 d . . .
Mg2 Mg 0.5857(2) 0.30844(10) 0.71407(13) 0.0169(6) Uani 1 1 d . . .
Mg3 Mg 0.3602(2) 0.17429(10) 0.35431(13) 0.0191(6) Uani 1 1 d . . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
C1 O2 1.237(8) . ?
C1 O1 1.248(8) . ?
C1 C2 1.532(10) . ?
C2 C3 1.352(10) . ?
C2 C7 1.438(10) . ?
C3 C4 1.396(10) . ?
C4 C5 1.356(10) . ?
C5 C6 1.443(11) . ?
C5 C12 1.496(10) . ?
C6 C11 1.399(11) . ?
C6 C7 1.428(10) . ?
C7 C8 1.422(11) . ?
C8 C9 1.334(12) . ?
C9 C10 1.422(13) . ?
C10 C11 1.369(12) . ?
C12 O4 1.258(8) . ?
C12 O3 1.284(8) . ?
C12 Mg2 2.479(7) 2_646 ?
C13 O5 1.238(8) . ?
C13 O6 1.248(8) . ?
C13 C17 1.519(9) . ?
C14 C20 1.45(3) 3_666 ?
C14 C15 1.483(5) . ?
C15 C16 1.51(2) . ?
C16 C17 1.382(12) . ?
C16 C18 1.437(11) 3_666 ?
C17 C18 1.370(12) . ?
C18 C16 1.437(11) 3_666 ?
C18 C19 1.48(2) . ?
C19 C20 1.43(3) . ?
C20 C14 1.45(3) 3_666 ?
C21 O8 1.237(8) . ?
C21 O7 1.252(8) . ?
C21 C22 1.507(10) . ?
C22 C23 1.342(10) . ?
C22 C27 1.434(10) . ?
C23 C24 1.402(11) . ?
C24 C25 1.375(11) . ?
C25 C26 1.410(10) . ?
C25 C32 1.507(10) . ?
C26 C31 1.422(11) . ?
C26 C27 1.436(10) . ?
C27 C28 1.424(11) . ?
C28 C29 1.370(13) . ?
C29 C30 1.418(13) . ?
C30 C31 1.360(13) . ?
C32 O10 1.238(8) . ?
C32 O9 1.262(8) . ?
C33 O12 1.251(8) . ?
C33 O11 1.252(8) . ?
C34 O14 1.220(8) . ?
C34 O13 1.274(8) . ?
C35 N1 1.35(3) . ?
C35 O15 1.39(3) . ?
C36 N1 1.45(2) . ?
C37 N1 1.414(18) . ?
C38 N2 1.408(17) . ?
C39 N2 1.347(17) . ?
O1 Mg1 2.011(5) . ?
O2 Mg3 2.039(5) . ?
O1W Mg3 2.077(6) . ?
O3 Mg3 2.083(5) 3_656 ?
O3 Mg2 2.126(5) 2_646 ?
O4 Mg2 2.182(5) 2_646 ?
O5 Mg2 2.046(5) . ?
O6 Mg1 2.037(5) . ?
O7 Mg1 2.063(6) . ?
O8 Mg3 2.060(6) . ?
O9 Mg2 2.023(5) 1_455 ?
O10 Mg1 2.083(5) 1_455 ?
O11 Mg1 2.115(5) . ?
O11 Mg3 2.120(5) . ?
O12 Mg2 2.041(5) 4_565 ?
O13 Mg2 2.046(5) . ?
O13 Mg1 2.135(5) . ?
O14 Mg3 2.069(5) 4_566 ?
Mg1 O10 2.083(5) 1_655 ?
Mg1 Mg2 3.524(3) . ?
Mg1 Mg3 3.578(3) . ?
Mg2 O9 2.023(5) 1_655 ?
Mg2 O12 2.041(5) 4_566 ?
Mg2 O3 2.126(5) 2_656 ?
Mg2 O4 2.182(5) 2_656 ?
Mg2 C12 2.479(7) 2_656 ?
Mg2 Mg3 3.546(3) 4_566 ?
Mg3 O14 2.069(5) 4_565 ?
Mg3 O3 2.083(5) 3_656 ?
Mg3 Mg2 3.546(3) 4_565 ?

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
O2 C1 O1 125.8(7) . . ?
O2 C1 C2 117.2(6) . . ?
O1 C1 C2 116.9(6) . . ?
C3 C2 C7 119.7(7) . . ?
C3 C2 C1 117.4(7) . . ?
C7 C2 C1 122.9(7) . . ?
C2 C3 C4 122.6(7) . . ?
C5 C4 C3 120.2(7) . . ?
C4 C5 C6 120.4(7) . . ?
C4 C5 C12 119.8(7) . . ?
C6 C5 C12 119.8(6) . . ?
C11 C6 C7 119.5(8) . . ?
C11 C6 C5 121.8(7) . . ?
C7 C6 C5 118.7(7) . . ?
C8 C7 C6 116.8(7) . . ?
C8 C7 C2 124.8(7) . . ?
C6 C7 C2 118.4(7) . . ?
C9 C8 C7 122.8(8) . . ?
C8 C9 C10 120.2(9) . . ?
C11 C10 C9 119.0(9) . . ?
C10 C11 C6 121.6(8) . . ?
O4 C12 O3 120.0(6) . . ?
O4 C12 C5 119.7(7) . . ?
O3 C12 C5 120.2(7) . . ?
O4 C12 Mg2 61.6(4) . 2_646 ?
O3 C12 Mg2 59.1(3) . 2_646 ?
C5 C12 Mg2 169.6(5) . 2_646 ?
O5 C13 O6 127.0(6) . . ?
O5 C13 C17 117.0(6) . . ?
O6 C13 C17 116.0(6) . . ?
C20 C14 C15 108(2) 3_666 . ?
C16 C15 C14 131.4(18) . . ?
C17 C16 C18 119.9(8) . 3_666 ?
C17 C16 C15 125.7(10) . . ?
C18 C16 C15 114.3(10) 3_666 . ?
C18 C17 C16 120.6(7) . . ?
C18 C17 C13 119.6(7) . . ?
C16 C17 C13 119.8(7) . . ?
C17 C18 C16 119.6(8) . 3_666 ?
C17 C18 C19 123.2(10) . . ?
C16 C18 C19 117.0(11) 3_666 . ?
C20 C19 C18 124.8(19) . . ?
C19 C20 C14 124(2) . 3_666 ?
O8 C21 O7 126.7(7) . . ?
O8 C21 C22 117.3(6) . . ?
O7 C21 C22 116.0(6) . . ?
C23 C22 C27 119.0(7) . . ?
C23 C22 C21 120.7(7) . . ?
C27 C22 C21 120.2(6) . . ?
C22 C23 C24 123.1(8) . . ?
C25 C24 C23 119.5(7) . . ?
C24 C25 C26 120.4(7) . . ?
C24 C25 C32 118.7(7) . . ?
C26 C25 C32 120.8(7) . . ?
C25 C26 C31 122.7(7) . . ?
C25 C26 C27 119.2(7) . . ?
C31 C26 C27 118.1(7) . . ?
C28 C27 C22 121.9(7) . . ?
C28 C27 C26 119.3(7) . . ?
C22 C27 C26 118.8(6) . . ?
C29 C28 C27 120.2(8) . . ?
C28 C29 C30 120.7(9) . . ?
C31 C30 C29 120.3(9) . . ?
C30 C31 C26 121.4(8) . . ?
O10 C32 O9 125.9(7) . . ?
O10 C32 C25 119.2(6) . . ?
O9 C32 C25 114.9(6) . . ?
O12 C33 O11 127.9(7) . . ?
O14 C34 O13 126.1(7) . . ?
N1 C35 O15 120(2) . . ?
C35 N1 C37 121.1(19) . . ?
C35 N1 C36 120(2) . . ?
C37 N1 C36 117.8(16) . . ?
C39 N2 C38 128.1(15) . . ?
C1 O1 Mg1 141.0(5) . . ?
C1 O2 Mg3 131.8(5) . . ?
C12 O3 Mg3 135.9(4) . 3_656 ?
C12 O3 Mg2 89.8(4) . 2_646 ?
Mg3 O3 Mg2 114.8(2) 3_656 2_646 ?
C12 O4 Mg2 87.9(4) . 2_646 ?
C13 O5 Mg2 135.7(5) . . ?
C13 O6 Mg1 133.1(5) . . ?
C21 O7 Mg1 129.6(5) . . ?
C21 O8 Mg3 137.3(5) . . ?
C32 O9 Mg2 127.8(5) . 1_455 ?
C32 O10 Mg1 140.9(5) . 1_455 ?
C33 O11 Mg1 117.9(4) . . ?
C33 O11 Mg3 126.8(4) . . ?
Mg1 O11 Mg3 115.4(2) . . ?
C33 O12 Mg2 139.5(5) . 4_565 ?
C34 O13 Mg2 123.1(4) . . ?
C34 O13 Mg1 122.0(4) . . ?
Mg2 O13 Mg1 114.9(2) . . ?
C34 O14 Mg3 146.3(5) . 4_566 ?
O1 Mg1 O6 176.4(2) . . ?
O1 Mg1 O7 90.7(2) . . ?
O6 Mg1 O7 86.6(2) . . ?
O1 Mg1 O10 91.3(2) . 1_655 ?
O6 Mg1 O10 91.4(2) . 1_655 ?
O7 Mg1 O10 177.9(2) . 1_655 ?
O1 Mg1 O11 91.3(2) . . ?
O6 Mg1 O11 91.3(2) . . ?
O7 Mg1 O11 92.9(2) . . ?
O10 Mg1 O11 86.9(2) 1_655 . ?
O1 Mg1 O13 87.9(2) . . ?
O6 Mg1 O13 89.5(2) . . ?
O7 Mg1 O13 87.8(2) . . ?
O10 Mg1 O13 92.4(2) 1_655 . ?
O11 Mg1 O13 178.9(2) . . ?
O1 Mg1 Mg2 106.43(16) . . ?
O6 Mg1 Mg2 72.45(15) . . ?
O7 Mg1 Mg2 112.74(16) . . ?
O10 Mg1 Mg2 66.81(15) 1_655 . ?
O11 Mg1 Mg2 148.09(16) . . ?
O13 Mg1 Mg2 31.79(14) . . ?
O1 Mg1 Mg3 67.41(15) . . ?
O6 Mg1 Mg3 113.97(16) . . ?
O7 Mg1 Mg3 72.32(16) . . ?
O10 Mg1 Mg3 108.33(16) 1_655 . ?
O11 Mg1 Mg3 32.36(13) . . ?
O13 Mg1 Mg3 147.50(16) . . ?
Mg2 Mg1 Mg3 172.53(9) . . ?
O9 Mg2 O12 88.4(2) 1_655 4_566 ?
O9 Mg2 O5 91.7(2) 1_655 . ?
O12 Mg2 O5 176.9(2) 4_566 . ?
O9 Mg2 O13 101.4(2) 1_655 . ?
O12 Mg2 O13 92.2(2) 4_566 . ?
O5 Mg2 O13 90.8(2) . . ?
O9 Mg2 O3 158.9(2) 1_655 2_656 ?
O12 Mg2 O3 90.7(2) 4_566 2_656 ?
O5 Mg2 O3 88.1(2) . 2_656 ?
O13 Mg2 O3 99.7(2) . 2_656 ?
O9 Mg2 O4 97.6(2) 1_655 2_656 ?
O12 Mg2 O4 91.9(2) 4_566 2_656 ?
O5 Mg2 O4 85.0(2) . 2_656 ?
O13 Mg2 O4 160.7(2) . 2_656 ?
O3 Mg2 O4 61.4(2) 2_656 2_656 ?
O9 Mg2 C12 127.9(3) 1_655 2_656 ?
O12 Mg2 C12 94.3(2) 4_566 2_656 ?
O5 Mg2 C12 83.1(2) . 2_656 ?
O13 Mg2 C12 130.3(3) . 2_656 ?
O3 Mg2 C12 31.2(2) 2_656 2_656 ?
O4 Mg2 C12 30.5(2) 2_656 2_656 ?
O9 Mg2 Mg1 76.24(16) 1_655 . ?
O12 Mg2 Mg1 112.88(16) 4_566 . ?
O5 Mg2 Mg1 70.18(15) . . ?
O13 Mg2 Mg1 33.35(14) . . ?
O3 Mg2 Mg1 123.08(16) 2_656 . ?
O4 Mg2 Mg1 154.01(16) 2_656 . ?
C12 Mg2 Mg1 145.16(19) 2_656 . ?
O9 Mg2 Mg3 156.69(17) 1_655 4_566 ?
O12 Mg2 Mg3 68.43(15) 4_566 4_566 ?
O5 Mg2 Mg3 111.56(18) . 4_566 ?
O13 Mg2 Mg3 77.68(15) . 4_566 ?
O3 Mg2 Mg3 32.24(14) 2_656 4_566 ?
O4 Mg2 Mg3 86.35(16) 2_656 4_566 ?
C12 Mg2 Mg3 59.63(19) 2_656 4_566 ?
Mg1 Mg2 Mg3 109.45(8) . 4_566 ?
O2 Mg3 O8 90.8(2) . . ?
O2 Mg3 O14 176.2(2) . 4_565 ?
O8 Mg3 O14 88.8(2) . 4_565 ?
O2 Mg3 O1W 88.7(2) . . ?
O8 Mg3 O1W 88.5(2) . . ?
O14 Mg3 O1W 87.5(2) 4_565 . ?
O2 Mg3 O3 89.3(2) . 3_656 ?
O8 Mg3 O3 176.4(2) . 3_656 ?
O14 Mg3 O3 90.9(2) 4_565 3_656 ?
O1W Mg3 O3 87.9(2) . 3_656 ?
O2 Mg3 O11 94.1(2) . . ?
O8 Mg3 O11 92.2(2) . . ?
O14 Mg3 O11 89.6(2) 4_565 . ?
O1W Mg3 O11 177.1(2) . . ?
O3 Mg3 O11 91.4(2) 3_656 . ?
O2 Mg3 Mg2 117.81(17) . 4_565 ?
O8 Mg3 Mg2 148.49(18) . 4_565 ?
O14 Mg3 Mg2 63.53(15) 4_565 4_565 ?
O1W Mg3 Mg2 104.02(19) . 4_565 ?
O3 Mg3 Mg2 32.98(14) 3_656 4_565 ?
O11 Mg3 Mg2 73.98(14) . 4_565 ?
O2 Mg3 Mg1 72.80(15) . . ?
O8 Mg3 Mg1 68.99(15) . . ?
O14 Mg3 Mg1 110.48(17) 4_565 . ?
O1W Mg3 Mg1 150.2(2) . . ?
O3 Mg3 Mg1 114.40(16) 3_656 . ?
O11 Mg3 Mg1 32.27(13) . . ?
Mg2 Mg3 Mg1 105.32(8) 4_565 . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.901
_refine_diff_density_min         -0.582
_refine_diff_density_rms         0.110
_exptl_crystal_preparation       Luminescent
_database_code_depnum_ccdc_archive 'CCDC 1017348'
