# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2000
# CCDC Number: 182/1598

data_1
_audit_creation_method            SHELXL
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_formula_moiety          ?
_chemical_formula_structural      ?
_chemical_formula_analytical      ?
_chemical_formula_sum             'C29 H37 Mg N S Si'
_chemical_formula_weight          484.06
_chemical_melting_point           ?
_chemical_compound_source         ?

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'
 'Mg'  'Mg'   0.0486   0.0363
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Si'  'Si'   0.0817   0.0704
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'S'  'S'   0.1246   0.1234
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting            Triclinic
_symmetry_space_group_name_H-M    P-1

loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, -y, -z'

_cell_length_a                    12.053(3)
_cell_length_b                    13.678(3)
_cell_length_c                    18.810(4)
_cell_angle_alpha                 89.84(2)
_cell_angle_beta                  81.13(2)
_cell_angle_gamma                 68.37(2)
_cell_volume                      2843.5(11)
_cell_formula_units_Z             4
_cell_measurement_temperature     293(2)
_cell_measurement_reflns_used     ?
_cell_measurement_theta_min       ?
_cell_measurement_theta_max       ?

_exptl_crystal_description        ?
_exptl_crystal_colour             ?
_exptl_crystal_size_max           0.40
_exptl_crystal_size_mid           0.40
_exptl_crystal_size_min           0.20
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.131
_exptl_crystal_density_method     ?
_exptl_crystal_F_000              1040
_exptl_absorpt_coefficient_mu     0.195
_exptl_absorpt_correction_type    ?
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?

_exptl_special_details
;
 ?
;

_diffrn_ambient_temperature       293(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        'Stoe IPDS'
_diffrn_measurement_method        'image plate'
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             22940
_diffrn_reflns_av_R_equivalents   0.0444
_diffrn_reflns_av_sigmaI/netI     0.0370
_diffrn_reflns_limit_h_min        -13
_diffrn_reflns_limit_h_max        13
_diffrn_reflns_limit_k_min        -15
_diffrn_reflns_limit_k_max        15
_diffrn_reflns_limit_l_min        -21
_diffrn_reflns_limit_l_max        21
_diffrn_reflns_theta_min          1.89
_diffrn_reflns_theta_max          24.00
_reflns_number_total              8437
_reflns_number_observed           6024
_reflns_observed_criterion        >2sigma(I)

_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)'
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)'
_computing_molecular_graphics     ?
_computing_publication_material   ?

_refine_special_details
;
 Refinement on F^2^ for ALL reflections except for 37 with very negative F^2^
 or flagged by the user for potential systematic errors.  Weighted R-factors
 wR and all goodnesses of fit S are based on F^2^, conventional R-factors R
 are based on F, with F set to zero for negative F^2^. The observed criterion
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F^2^ 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 w=1/[\s^2^(Fo^2^)+(0.0889P)^2^+0.5265P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     'riding model (H1 and H30 free)'
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          8400
_refine_ls_number_parameters      621
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0723
_refine_ls_R_factor_obs           0.0493
_refine_ls_wR_factor_all          0.1519
_refine_ls_wR_factor_obs          0.1357
_refine_ls_goodness_of_fit_all    1.004
_refine_ls_goodness_of_fit_obs    1.084
_refine_ls_restrained_S_all       1.012
_refine_ls_restrained_S_obs       1.084
_refine_ls_shift/esd_max          1.535
_refine_ls_shift/esd_mean         0.060

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_thermal_displace_type
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_group
S1 S 0.31678(6) 0.08696(6) 0.97642(4) 0.0625(2) Uani 1 d . .
Si1 Si 0.24921(7) 0.16521(6) 1.13729(4) 0.0615(2) Uani 1 d . .
Mg1 Mg 0.52749(8) 0.04404(7) 0.90038(5) 0.0601(2) Uani 1 d . .
N1 N 0.4438(2) 0.0357(2) 1.20692(12) 0.0604(6) Uani 1 d . .
C1 C 0.3662(2) 0.1090(2) 1.05727(14) 0.0571(6) Uani 1 d . .
H1 H 0.4204(22) 0.1365(20) 1.0467(13) 0.050(7) Uiso 1 d . .
C2 C 0.2209(3) 0.2100(3) 0.9475(2) 0.0705(8) Uani 1 d . .
C3 C 0.1295(3) 0.2104(3) 0.9112(2) 0.1063(13) Uani 1 d . .
H3 H 0.1197(3) 0.1478(3) 0.9013(2) 0.128 Uiso 1 calc R .
C4 C 0.0528(4) 0.3042(5) 0.8897(3) 0.138(2) Uani 1 d . .
H4 H -0.0083(4) 0.3042(5) 0.8649(3) 0.165 Uiso 1 calc R .
C5 C 0.0650(4) 0.3966(4) 0.9040(3) 0.128(2) Uani 1 d . .
H5 H 0.0117(4) 0.4594(4) 0.8899(3) 0.153 Uiso 1 calc R .
C6 C 0.1545(4) 0.3972(3) 0.9388(2) 0.1176(14) Uani 1 d . .
H6 H 0.1636(4) 0.4603(3) 0.9483(2) 0.141 Uiso 1 calc R .
C7 C 0.2335(3) 0.3030(3) 0.9605(2) 0.0916(10) Uani 1 d . .
H7 H 0.2956(3) 0.3037(3) 0.9841(2) 0.110 Uiso 1 calc R .
C8 C 0.3091(2) 0.0849(2) 1.21618(15) 0.0665(7) Uani 1 d . .
H8A H 0.2796(2) 0.1306(2) 1.25985(15) 0.080 Uiso 1 calc R .
H8B H 0.2764(2) 0.0298(2) 1.22241(15) 0.080 Uiso 1 calc R .
C9 C 0.4957(3) 0.1186(2) 1.2103(2) 0.0704(8) Uani 1 d . .
H9A H 0.4624(3) 0.1592(2) 1.2560(2) 0.084 Uiso 1 calc R .
H9B H 0.4726(3) 0.1660(2) 1.1721(2) 0.084 Uiso 1 calc R .
C10 C 0.6317(3) 0.0720(3) 1.2026(2) 0.0814(9) Uani 1 d . .
H10A H 0.6616(3) 0.1281(3) 1.2075(2) 0.098 Uiso 1 calc R .
H10B H 0.6654(3) 0.0377(3) 1.1549(2) 0.098 Uiso 1 calc R .
C11 C 0.6737(3) -0.0069(3) 1.2584(2) 0.1002(12) Uani 1 d . .
H11A H 0.6522(3) 0.0293(3) 1.3057(2) 0.120 Uiso 1 calc R .
H11B H 0.7610(3) -0.0418(3) 1.2481(2) 0.120 Uiso 1 calc R .
C12 C 0.6158(3) -0.0882(3) 1.2582(2) 0.0919(10) Uani 1 d . .
H12A H 0.6474(3) -0.1316(3) 1.2136(2) 0.110 Uiso 1 calc R .
H12B H 0.6366(3) -0.1336(3) 1.2978(2) 0.110 Uiso 1 calc R .
C13 C 0.4801(3) -0.0370(3) 1.2657(2) 0.0777(8) Uani 1 d . .
H13A H 0.4461(3) -0.0910(3) 1.2642(2) 0.093 Uiso 1 calc R .
H13B H 0.4477(3) 0.0022(3) 1.3120(2) 0.093 Uiso 1 calc R .
C14 C 0.2144(3) 0.3065(2) 1.1652(2) 0.0747(8) Uani 1 d . .
C15 C 0.2859(3) 0.3611(3) 1.1371(2) 0.0862(10) Uani 1 d . .
H15 H 0.3500(3) 0.3290(3) 1.0999(2) 0.103 Uiso 1 calc R .
C16 C 0.2651(4) 0.4629(3) 1.1631(2) 0.1072(13) Uani 1 d . .
H16 H 0.3145(4) 0.4978(3) 1.1432(2) 0.129 Uiso 1 calc R .
C17 C 0.1723(5) 0.5102(3) 1.2173(3) 0.120(2) Uani 1 d . .
H17 H 0.1587(5) 0.5776(3) 1.2352(3) 0.144 Uiso 1 calc R .
C18 C 0.0981(5) 0.4596(4) 1.2461(3) 0.123(2) Uani 1 d . .
H18 H 0.0337(5) 0.4935(4) 1.2828(3) 0.147 Uiso 1 calc R .
C19 C 0.1181(4) 0.3575(3) 1.2209(2) 0.1010(12) Uani 1 d . .
H19 H 0.0677(4) 0.3235(3) 1.2410(2) 0.121 Uiso 1 calc R .
C20 C 0.1078(3) 0.1457(3) 1.1243(2) 0.0771(9) Uani 1 d . .
C21 C 0.1055(4) 0.0445(4) 1.1229(2) 0.1076(13) Uani 1 d . .
H21 H 0.1708(4) -0.0113(4) 1.1349(2) 0.129 Uiso 1 calc R .
C22 C 0.0085(5) 0.0247(6) 1.1041(3) 0.146(2) Uani 1 d . .
H22 H 0.0091(5) -0.0434(6) 1.1032(3) 0.175 Uiso 1 calc R .
C23 C -0.0872(6) 0.1062(8) 1.0872(3) 0.162(3) Uani 1 d . .
H23 H -0.1530(6) 0.0938(8) 1.0751(3) 0.194 Uiso 1 calc R .
C24 C -0.0879(4) 0.2078(7) 1.0875(3) 0.157(3) Uani 1 d . .
H24 H -0.1534(4) 0.2632(7) 1.0752(3) 0.189 Uiso 1 calc R .
C25 C 0.0095(3) 0.2263(4) 1.1065(2) 0.1143(15) Uani 1 d . .
H25 H 0.0084(3) 0.2946(4) 1.1071(2) 0.137 Uiso 1 calc R .
C26 C 0.5695(4) 0.1811(3) 0.8853(2) 0.0852(10) Uani 1 d . .
H26A H 0.5007(33) 0.2496(31) 0.8699(20) 0.107(12) Uiso 1 d . .
H26B H 0.6417(39) 0.1735(33) 0.8475(24) 0.130(15) Uiso 1 d . .
C27 C 0.6040(5) 0.2271(4) 0.9486(2) 0.125(2) Uani 1 d . .
H27A H 0.5382(5) 0.2432(4) 0.9890(2) 0.149 Uiso 1 calc R .
H27B H 0.6744(5) 0.1735(4) 0.9630(2) 0.149 Uiso 1 calc R .
C28 C 0.6315(7) 0.3247(5) 0.9345(4) 0.189(3) Uani 1 d . .
H28A H 0.7042(7) 0.3062(5) 0.8987(4) 0.227 Uiso 1 calc R .
H28B H 0.5658(7) 0.3747(5) 0.9138(4) 0.227 Uiso 1 calc R .
C29 C 0.6481(10) 0.3750(7) 0.9947(5) 0.280(5) Uani 1 d . .
H29A H 0.6054(73) 0.4496(10) 0.9943(29) 0.420 Uiso 1 calc R .
H29B H 0.7328(13) 0.3602(63) 0.9930(27) 0.420 Uiso 1 calc R .
H29C H 0.6174(79) 0.3494(56) 1.0379(5) 0.420 Uiso 1 calc R .
S2 S 0.37886(6) 0.64734(6) 0.55641(4) 0.0670(2) Uani 1 d . .
Si2 Si 0.33116(7) 0.72969(6) 0.40397(4) 0.0672(2) Uani 1 d . .
Mg2 Mg 0.57910(9) 0.54675(8) 0.41651(5) 0.0696(3) Uani 1 d . .
N2 N 0.5363(2) 0.5882(2) 0.30857(13) 0.0768(7) Uani 1 d . .
C30 C 0.3819(3) 0.6202(2) 0.46413(15) 0.0653(7) Uani 1 d . .
H30 H 0.3481(26) 0.5740(24) 0.4580(16) 0.073(10) Uiso 1 d . .
C31 C 0.2308(3) 0.7286(2) 0.6001(2) 0.0680(7) Uani 1 d . .
C32 C 0.2226(4) 0.8046(3) 0.6503(2) 0.1070(13) Uani 1 d . .
H32 H 0.2928(4) 0.8120(3) 0.6597(2) 0.128 Uiso 1 calc R .
C33 C 0.1133(4) 0.8692(4) 0.6865(3) 0.139(2) Uani 1 d . .
H33 H 0.1096(4) 0.9182(4) 0.7218(3) 0.166 Uiso 1 calc R .
C34 C 0.0110(4) 0.8629(4) 0.6717(3) 0.122(2) Uani 1 d . .
H34 H -0.0632(4) 0.9101(4) 0.6950(3) 0.146 Uiso 1 calc R .
C35 C 0.0141(4) 0.7883(4) 0.6228(3) 0.123(2) Uani 1 d . .
H35 H -0.0572(4) 0.7834(4) 0.6133(3) 0.147 Uiso 1 calc R .
C36 C 0.1283(3) 0.7180(3) 0.5867(2) 0.1000(12) Uani 1 d . .
H36 H 0.1327(3) 0.6652(3) 0.5541(2) 0.120 Uiso 1 calc R .
C37 C 0.4621(3) 0.7026(2) 0.3258(2) 0.0808(9) Uani 1 d . .
H37A H 0.4297(3) 0.7331(2) 0.2833(2) 0.097 Uiso 1 calc R .
H37B H 0.5143(3) 0.7377(2) 0.3375(2) 0.097 Uiso 1 calc R .
C38 C 0.4632(3) 0.5370(3) 0.2790(2) 0.0916(11) Uani 1 d . .
H38A H 0.4358(3) 0.5717(3) 0.2364(2) 0.110 Uiso 1 calc R .
H38B H 0.3922(3) 0.5451(3) 0.3144(2) 0.110 Uiso 1 calc R .
C39 C 0.5346(4) 0.4204(3) 0.2594(2) 0.1074(13) Uani 1 d . .
H39A H 0.5546(4) 0.3842(3) 0.3028(2) 0.129 Uiso 1 calc R .
H39B H 0.4851(4) 0.3906(3) 0.2379(2) 0.129 Uiso 1 calc R .
C40 C 0.6499(5) 0.4035(4) 0.2071(2) 0.141(2) Uani 1 d . .
H40A H 0.6984(5) 0.3287(4) 0.1998(2) 0.170 Uiso 1 calc R .
H40B H 0.6301(5) 0.4299(4) 0.1609(2) 0.170 Uiso 1 calc R .
C41 C 0.7215(4) 0.4602(4) 0.2363(2) 0.124(2) Uani 1 d . .
H41A H 0.7495(4) 0.4277(4) 0.2794(2) 0.148 Uiso 1 calc R .
H41B H 0.7920(4) 0.4532(4) 0.2009(2) 0.148 Uiso 1 calc R .
C42 C 0.6466(4) 0.5755(3) 0.2541(2) 0.1078(13) Uani 1 d . .
H42A H 0.6946(4) 0.6093(3) 0.2734(2) 0.129 Uiso 1 calc R .
H42B H 0.6223(4) 0.6094(3) 0.2107(2) 0.129 Uiso 1 calc R .
C43 C 0.1918(3) 0.7430(2) 0.3650(2) 0.0733(8) Uani 1 d . .
C44 C 0.1609(4) 0.8072(3) 0.3071(2) 0.1008(11) Uani 1 d . .
H44 H 0.2122(4) 0.8401(3) 0.2866(2) 0.121 Uiso 1 calc R .
C45 C 0.0557(5) 0.8224(4) 0.2800(3) 0.1169(15) Uani 1 d . .
H45 H 0.0368(5) 0.8661(4) 0.2421(3) 0.140 Uiso 1 calc R .
C46 C -0.0194(4) 0.7749(4) 0.3079(3) 0.1079(14) Uani 1 d . .
H46 H -0.0898(4) 0.7858(4) 0.2891(3) 0.129 Uiso 1 calc R .
C47 C 0.0068(3) 0.7107(3) 0.3636(2) 0.1008(12) Uani 1 d . .
H47 H -0.0452(3) 0.6778(3) 0.3829(2) 0.121 Uiso 1 calc R .
C48 C 0.1124(3) 0.6951(3) 0.3913(2) 0.0858(9) Uani 1 d . .
H48 H 0.1301(3) 0.6506(3) 0.4289(2) 0.103 Uiso 1 calc R .
C49 C 0.3049(3) 0.8591(2) 0.4504(2) 0.0735(8) Uani 1 d . .
C50 C 0.1921(4) 0.9395(3) 0.4648(2) 0.1013(12) Uani 1 d . .
H50 H 0.1276(4) 0.9329(3) 0.4465(2) 0.122 Uiso 1 calc R .
C51 C 0.1733(5) 1.0302(3) 0.5062(3) 0.129(2) Uani 1 d . .
H51 H 0.0974(5) 1.0843(3) 0.5136(3) 0.155 Uiso 1 calc R .
C52 C 0.2635(5) 1.0405(4) 0.5355(3) 0.126(2) Uani 1 d . .
H52 H 0.2492(5) 1.1009(4) 0.5639(3) 0.152 Uiso 1 calc R .
C53 C 0.3754(5) 0.9632(4) 0.5240(3) 0.1158(14) Uani 1 d . .
H53 H 0.4377(5) 0.9699(4) 0.5448(3) 0.139 Uiso 1 calc R .
C54 C 0.3959(4) 0.8738(3) 0.4808(2) 0.0968(11) Uani 1 d . .
H54 H 0.4733(4) 0.8222(3) 0.4719(2) 0.116 Uiso 1 calc R .
C55 C 0.7229(5) 0.5963(5) 0.4294(4) 0.125(2) Uani 1 d . .
H55A H 0.6998(46) 0.6821(47) 0.4076(29) 0.177(20) Uiso 1 d . .
H55B H 0.7986(51) 0.5469(46) 0.3886(33) 0.188(25) Uiso 1 d . .
C56 C 0.7731(11) 0.5994(11) 0.4941(7) 0.275(6) Uani 1 d . .
H56A H 0.8115(11) 0.5273(11) 0.5070(7) 0.330 Uiso 1 calc R .
H56B H 0.8364(11) 0.6273(11) 0.4822(7) 0.330 Uiso 1 calc R .
C57 C 0.6999(11) 0.6538(11) 0.5521(8) 0.301(7) Uani 1 d . .
H57A H 0.6325(11) 0.7101(11) 0.5372(8) 0.361 Uiso 1 calc R .
H57B H 0.6677(11) 0.6079(11) 0.5804(8) 0.361 Uiso 1 calc R .
C58 C 0.7502(16) 0.6928(14) 0.5910(10) 0.523(16) Uani 1 d . .
H58A H 0.7204(219) 0.6884(235) 0.6408(11) 0.785 Uiso 1 calc R .
H58B H 0.7327(246) 0.7652(71) 0.5808(129) 0.785 Uiso 1 calc R .
H58C H 0.8361(31) 0.6546(163) 0.5813(128) 0.785 Uiso 1 calc R .

loop_
 _atom_site_aniso_label
 _atom_site_aniso_U_11
 _atom_site_aniso_U_22
 _atom_site_aniso_U_33
 _atom_site_aniso_U_23
 _atom_site_aniso_U_13
 _atom_site_aniso_U_12
S1 0.0591(4) 0.0615(4) 0.0608(4) -0.0018(3) -0.0078(3) -0.0162(3)
Si1 0.0553(4) 0.0581(5) 0.0612(4) -0.0036(4) -0.0069(4) -0.0108(3)
Mg1 0.0600(5) 0.0529(5) 0.0617(5) 0.0031(4) -0.0071(4) -0.0156(4)
N1 0.0637(13) 0.0579(13) 0.0595(13) 0.0069(10) -0.0135(11) -0.0212(11)
C1 0.0519(15) 0.057(2) 0.059(2) 0.0025(12) -0.0087(13) -0.0171(13)
C2 0.058(2) 0.077(2) 0.064(2) -0.0005(15) -0.0134(14) -0.0094(14)
C3 0.087(2) 0.103(3) 0.121(3) -0.006(2) -0.047(2) -0.015(2)
C4 0.108(3) 0.136(4) 0.151(4) 0.005(3) -0.079(3) -0.002(3)
C5 0.121(3) 0.103(3) 0.129(4) 0.011(3) -0.061(3) 0.010(3)
C6 0.137(4) 0.074(2) 0.127(3) 0.017(2) -0.050(3) -0.012(2)
C7 0.094(2) 0.070(2) 0.106(3) 0.010(2) -0.041(2) -0.015(2)
C8 0.062(2) 0.069(2) 0.062(2) -0.0011(14) -0.0034(14) -0.0197(14)
C9 0.082(2) 0.063(2) 0.071(2) 0.0033(14) -0.020(2) -0.029(2)
C10 0.078(2) 0.086(2) 0.092(2) 0.005(2) -0.027(2) -0.039(2)
C11 0.095(3) 0.108(3) 0.107(3) 0.019(2) -0.051(2) -0.036(2)
C12 0.093(2) 0.085(2) 0.097(3) 0.024(2) -0.040(2) -0.023(2)
C13 0.092(2) 0.076(2) 0.067(2) 0.018(2) -0.024(2) -0.030(2)
C14 0.079(2) 0.062(2) 0.068(2) -0.0049(15) -0.022(2) -0.005(2)
C15 0.102(2) 0.062(2) 0.090(2) -0.002(2) -0.027(2) -0.020(2)
C16 0.137(3) 0.069(2) 0.121(3) 0.003(2) -0.052(3) -0.031(2)
C17 0.154(4) 0.066(3) 0.117(4) -0.020(2) -0.056(3) -0.002(3)
C18 0.135(4) 0.089(3) 0.104(3) -0.031(3) -0.019(3) 0.005(3)
C19 0.113(3) 0.076(2) 0.082(2) -0.014(2) -0.008(2) -0.002(2)
C20 0.055(2) 0.098(2) 0.064(2) -0.010(2) 0.0006(15) -0.017(2)
C21 0.100(3) 0.145(4) 0.102(3) 0.006(3) -0.022(2) -0.070(3)
C22 0.137(4) 0.228(7) 0.122(4) 0.010(4) -0.026(4) -0.124(5)
C23 0.094(4) 0.319(11) 0.102(4) -0.003(5) -0.016(3) -0.111(6)
C24 0.062(3) 0.250(8) 0.125(4) -0.031(5) -0.018(3) -0.018(4)
C25 0.065(2) 0.145(4) 0.105(3) -0.023(3) -0.018(2) -0.005(2)
C26 0.096(3) 0.067(2) 0.095(2) 0.005(2) -0.008(2) -0.036(2)
C27 0.151(4) 0.117(3) 0.121(3) -0.009(3) -0.002(3) -0.076(3)
C28 0.301(9) 0.166(6) 0.174(6) -0.009(4) -0.050(6) -0.167(6)
C29 0.422(15) 0.251(10) 0.249(10) 0.028(8) -0.167(11) -0.176(10)
S2 0.0649(4) 0.0639(4) 0.0602(4) 0.0072(3) -0.0096(3) -0.0104(3)
Si2 0.0702(5) 0.0555(5) 0.0654(5) 0.0111(4) -0.0112(4) -0.0113(4)
Mg2 0.0674(6) 0.0653(6) 0.0660(6) 0.0104(5) -0.0091(5) -0.0141(5)
N2 0.077(2) 0.073(2) 0.0617(14) 0.0123(12) -0.0007(13) -0.0098(13)
C30 0.068(2) 0.061(2) 0.058(2) 0.0063(14) -0.0077(14) -0.0152(15)
C31 0.066(2) 0.068(2) 0.059(2) 0.0065(14) -0.0048(14) -0.0148(14)
C32 0.087(2) 0.091(3) 0.126(3) -0.037(2) 0.008(2) -0.025(2)
C33 0.102(3) 0.127(4) 0.158(5) -0.062(3) 0.021(3) -0.026(3)
C34 0.092(3) 0.112(3) 0.121(4) -0.015(3) 0.020(3) -0.007(3)
C35 0.070(2) 0.176(5) 0.107(3) 0.003(3) -0.005(2) -0.032(3)
C36 0.081(2) 0.126(3) 0.084(2) -0.013(2) -0.012(2) -0.028(2)
C37 0.086(2) 0.068(2) 0.071(2) 0.019(2) -0.004(2) -0.013(2)
C38 0.103(3) 0.083(2) 0.069(2) 0.004(2) -0.025(2) -0.009(2)
C39 0.124(3) 0.087(3) 0.084(2) -0.014(2) -0.028(2) -0.004(2)
C40 0.171(5) 0.116(4) 0.075(3) -0.009(2) -0.009(3) 0.014(3)
C41 0.109(3) 0.118(4) 0.088(3) 0.014(3) 0.025(3) 0.006(3)
C42 0.099(3) 0.108(3) 0.079(2) 0.028(2) 0.016(2) -0.008(2)
C43 0.080(2) 0.057(2) 0.066(2) 0.0039(14) -0.015(2) -0.0047(15)
C44 0.112(3) 0.084(2) 0.103(3) 0.028(2) -0.040(2) -0.025(2)
C45 0.131(4) 0.096(3) 0.111(3) 0.025(2) -0.065(3) -0.009(3)
C46 0.095(3) 0.092(3) 0.115(3) -0.016(3) -0.040(3) 0.000(2)
C47 0.082(2) 0.107(3) 0.103(3) -0.014(2) -0.019(2) -0.022(2)
C48 0.085(2) 0.086(2) 0.074(2) -0.001(2) -0.018(2) -0.015(2)
C49 0.079(2) 0.060(2) 0.075(2) 0.0136(15) -0.012(2) -0.018(2)
C50 0.097(3) 0.072(2) 0.121(3) -0.008(2) -0.031(2) -0.010(2)
C51 0.129(4) 0.075(3) 0.150(4) -0.023(3) -0.035(3) 0.004(2)
C52 0.151(4) 0.089(3) 0.135(4) -0.021(3) -0.017(4) -0.043(3)
C53 0.130(4) 0.116(4) 0.119(3) -0.005(3) -0.014(3) -0.069(3)
C54 0.093(2) 0.089(3) 0.108(3) 0.005(2) -0.012(2) -0.034(2)
C55 0.121(4) 0.125(4) 0.147(4) 0.015(4) -0.056(4) -0.052(3)
C56 0.300(16) 0.357(17) 0.280(13) 0.125(12) -0.129(12) -0.221(14)
C57 0.196(10) 0.319(15) 0.337(17) -0.079(12) 0.042(11) -0.072(9)
C58 0.614(29) 0.582(29) 0.658(31) 0.043(23) -0.359(26) -0.451(25)

_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
S1 C1 1.781(3) . ?
S1 C2 1.794(3) . ?
S1 Mg1 2.5743(13) . ?
Si1 C1 1.844(3) . ?
Si1 C20 1.871(3) . ?
Si1 C14 1.877(3) . ?
Si1 C8 1.915(3) . ?
Si1 Mg1 3.1118(14) 2_657 ?
Mg1 C26 2.122(4) . ?
Mg1 N1 2.214(2) 2_657 ?
Mg1 C1 2.233(3) 2_657 ?
Mg1 C8 2.816(3) 2_657 ?
Mg1 Si1 3.1118(14) 2_657 ?
N1 C9 1.489(3) . ?
N1 C13 1.491(4) . ?
N1 C8 1.493(3) . ?
N1 Mg1 2.214(2) 2_657 ?
C1 Mg1 2.233(3) 2_657 ?
C2 C7 1.362(5) . ?
C2 C3 1.382(4) . ?
C3 C4 1.379(6) . ?
C4 C5 1.357(7) . ?
C5 C6 1.347(6) . ?
C6 C7 1.395(5) . ?
C8 Mg1 2.816(3) 2_657 ?
C9 C10 1.508(4) . ?
C10 C11 1.509(5) . ?
C11 C12 1.515(5) . ?
C12 C13 1.507(4) . ?
C14 C15 1.383(5) . ?
C14 C19 1.401(5) . ?
C15 C16 1.395(5) . ?
C16 C17 1.353(6) . ?
C17 C18 1.370(7) . ?
C18 C19 1.398(6) . ?
C20 C25 1.375(5) . ?
C20 C21 1.394(5) . ?
C21 C22 1.388(6) . ?
C22 C23 1.355(9) . ?
C23 C24 1.387(9) . ?
C24 C25 1.384(7) . ?
C26 C27 1.528(5) . ?
C27 C28 1.504(6) . ?
C28 C29 1.402(8) . ?
S2 C30 1.768(3) . ?
S2 C31 1.785(3) . ?
S2 Mg2 2.5777(14) 2_666 ?
Si2 C30 1.851(3) . ?
Si2 C49 1.873(3) . ?
Si2 C43 1.883(3) . ?
Si2 C37 1.909(3) . ?
Si2 Mg2 3.1544(15) . ?
Mg2 C55 2.125(5) . ?
Mg2 N2 2.194(3) . ?
Mg2 C30 2.247(3) . ?
Mg2 S2 2.5777(14) 2_666 ?
Mg2 C37 2.820(3) . ?
N2 C38 1.478(4) . ?
N2 C37 1.495(4) . ?
N2 C42 1.503(4) . ?
C31 C36 1.356(4) . ?
C31 C32 1.373(5) . ?
C32 C33 1.360(5) . ?
C33 C34 1.338(6) . ?
C34 C35 1.362(6) . ?
C35 C36 1.422(5) . ?
C38 C39 1.520(5) . ?
C39 C40 1.516(6) . ?
C40 C41 1.514(7) . ?
C41 C42 1.508(6) . ?
C43 C48 1.379(5) . ?
C43 C44 1.405(5) . ?
C44 C45 1.384(6) . ?
C45 C46 1.343(6) . ?
C46 C47 1.364(6) . ?
C47 C48 1.393(5) . ?
C49 C50 1.385(4) . ?
C49 C54 1.388(5) . ?
C50 C51 1.393(5) . ?
C51 C52 1.343(6) . ?
C52 C53 1.358(6) . ?
C53 C54 1.392(5) . ?
C55 C56 1.448(11) . ?
C56 C57 1.321(13) . ?
C57 C58 1.250(14) . ?

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
C1 S1 C2 109.76(14) . . ?
C1 S1 Mg1 92.82(10) . . ?
C2 S1 Mg1 106.13(11) . . ?
C1 Si1 C20 109.34(13) . . ?
C1 Si1 C14 116.46(15) . . ?
C20 Si1 C14 110.41(15) . . ?
C1 Si1 C8 106.29(12) . . ?
C20 Si1 C8 107.83(15) . . ?
C14 Si1 C8 106.07(13) . . ?
C1 Si1 Mg1 45.12(9) . 2_657 ?
C20 Si1 Mg1 110.40(11) . 2_657 ?
C14 Si1 Mg1 139.13(11) . 2_657 ?
C8 Si1 Mg1 62.94(9) . 2_657 ?
C26 Mg1 N1 107.91(13) . 2_657 ?
C26 Mg1 C1 129.17(14) . 2_657 ?
N1 Mg1 C1 90.14(10) 2_657 2_657 ?
C26 Mg1 S1 111.55(12) . . ?
N1 Mg1 S1 115.48(7) 2_657 . ?
C1 Mg1 S1 101.47(9) 2_657 . ?
C26 Mg1 C8 98.89(13) . 2_657 ?
N1 Mg1 C8 31.76(8) 2_657 2_657 ?
C1 Mg1 C8 72.08(10) 2_657 2_657 ?
S1 Mg1 C8 143.36(7) . 2_657 ?
C26 Mg1 Si1 113.66(12) . 2_657 ?
N1 Mg1 Si1 62.53(6) 2_657 2_657 ?
C1 Mg1 Si1 35.80(7) 2_657 2_657 ?
S1 Mg1 Si1 132.48(4) . 2_657 ?
C8 Mg1 Si1 37.27(6) 2_657 2_657 ?
C9 N1 C13 108.8(2) . . ?
C9 N1 C8 110.1(2) . . ?
C13 N1 C8 109.6(2) . . ?
C9 N1 Mg1 116.1(2) . 2_657 ?
C13 N1 Mg1 114.6(2) . 2_657 ?
C8 N1 Mg1 96.9(2) . 2_657 ?
S1 C1 Si1 117.3(2) . . ?
S1 C1 Mg1 110.49(14) . 2_657 ?
Si1 C1 Mg1 99.08(13) . 2_657 ?
C7 C2 C3 118.7(3) . . ?
C7 C2 S1 122.9(2) . . ?
C3 C2 S1 118.4(3) . . ?
C4 C3 C2 119.7(4) . . ?
C5 C4 C3 121.1(4) . . ?
C6 C5 C4 119.9(4) . . ?
C5 C6 C7 119.9(4) . . ?
C2 C7 C6 120.8(4) . . ?
N1 C8 Si1 114.1(2) . . ?
N1 C8 Mg1 51.30(12) . 2_657 ?
Si1 C8 Mg1 79.80(10) . 2_657 ?
N1 C9 C10 111.8(2) . . ?
C9 C10 C11 111.8(3) . . ?
C10 C11 C12 110.4(3) . . ?
C13 C12 C11 111.5(3) . . ?
N1 C13 C12 111.1(3) . . ?
C15 C14 C19 117.5(3) . . ?
C15 C14 Si1 122.8(2) . . ?
C19 C14 Si1 119.5(3) . . ?
C14 C15 C16 122.0(4) . . ?
C17 C16 C15 119.5(5) . . ?
C16 C17 C18 120.5(4) . . ?
C17 C18 C19 120.7(5) . . ?
C18 C19 C14 119.8(4) . . ?
C25 C20 C21 117.4(4) . . ?
C25 C20 Si1 122.0(3) . . ?
C21 C20 Si1 120.0(3) . . ?
C22 C21 C20 121.9(5) . . ?
C23 C22 C21 119.0(6) . . ?
C22 C23 C24 120.7(5) . . ?
C25 C24 C23 119.5(6) . . ?
C20 C25 C24 121.4(5) . . ?
C27 C26 Mg1 118.3(3) . . ?
C28 C27 C26 115.5(4) . . ?
C29 C28 C27 115.8(7) . . ?
C30 S2 C31 111.75(14) . . ?
C30 S2 Mg2 91.32(11) . 2_666 ?
C31 S2 Mg2 109.85(11) . 2_666 ?
C30 Si2 C49 111.18(14) . . ?
C30 Si2 C43 115.8(2) . . ?
C49 Si2 C43 108.12(14) . . ?
C30 Si2 C37 105.72(13) . . ?
C49 Si2 C37 107.77(15) . . ?
C43 Si2 C37 107.9(2) . . ?
C30 Si2 Mg2 44.52(10) . . ?
C49 Si2 Mg2 115.48(11) . . ?
C43 Si2 Mg2 136.28(10) . . ?
C37 Si2 Mg2 62.06(10) . . ?
C55 Mg2 N2 106.6(2) . . ?
C55 Mg2 C30 129.2(2) . . ?
N2 Mg2 C30 90.48(10) . . ?
C55 Mg2 S2 113.8(2) . 2_666 ?
N2 Mg2 S2 114.83(9) . 2_666 ?
C30 Mg2 S2 100.17(9) . 2_666 ?
C55 Mg2 C37 98.8(2) . . ?
N2 Mg2 C37 31.68(9) . . ?
C30 Mg2 C37 71.53(10) . . ?
S2 Mg2 C37 141.57(9) 2_666 . ?
C55 Mg2 Si2 115.3(2) . . ?
N2 Mg2 Si2 61.70(7) . . ?
C30 Mg2 Si2 35.28(8) . . ?
S2 Mg2 Si2 129.15(5) 2_666 . ?
C37 Mg2 Si2 36.73(7) . . ?
C38 N2 C37 109.5(3) . . ?
C38 N2 C42 109.5(3) . . ?
C37 N2 C42 109.9(3) . . ?
C38 N2 Mg2 116.7(2) . . ?
C37 N2 Mg2 97.9(2) . . ?
C42 N2 Mg2 112.6(2) . . ?
S2 C30 Si2 120.1(2) . . ?
S2 C30 Mg2 105.18(15) . . ?
Si2 C30 Mg2 100.20(14) . . ?
C36 C31 C32 119.3(3) . . ?
C36 C31 S2 123.6(3) . . ?
C32 C31 S2 117.1(3) . . ?
C33 C32 C31 120.8(4) . . ?
C34 C33 C32 120.6(4) . . ?
C33 C34 C35 120.9(4) . . ?
C34 C35 C36 118.7(4) . . ?
C31 C36 C35 119.5(4) . . ?
N2 C37 Si2 114.0(2) . . ?
N2 C37 Mg2 50.40(14) . . ?
Si2 C37 Mg2 81.21(11) . . ?
N2 C38 C39 111.9(3) . . ?
C40 C39 C38 111.2(4) . . ?
C41 C40 C39 110.0(3) . . ?
C42 C41 C40 111.7(4) . . ?
N2 C42 C41 110.1(3) . . ?
C48 C43 C44 115.7(3) . . ?
C48 C43 Si2 123.9(2) . . ?
C44 C43 Si2 120.3(3) . . ?
C45 C44 C43 121.4(4) . . ?
C46 C45 C44 120.7(4) . . ?
C45 C46 C47 120.4(4) . . ?
C46 C47 C48 119.2(4) . . ?
C43 C48 C47 122.6(4) . . ?
C50 C49 C54 116.0(3) . . ?
C50 C49 Si2 122.9(3) . . ?
C54 C49 Si2 120.6(3) . . ?
C49 C50 C51 121.2(4) . . ?
C52 C51 C50 120.8(4) . . ?
C51 C52 C53 120.3(4) . . ?
C52 C53 C54 119.2(4) . . ?
C49 C54 C53 122.4(4) . . ?
C56 C55 Mg2 128.1(6) . . ?
C57 C56 C55 118.7(13) . . ?
C58 C57 C56 113.5(16) . . ?

_refine_diff_density_max    0.398
_refine_diff_density_min   -0.252
_refine_diff_density_rms    0.038