# Supplementary Material (ESI) for New Journal of Chemistry
# This journal is © The Royal Society of Chemistry and 
# The Centre National de la Recherche Scientifique, 2002

data_global

_journal_coden_Cambridge      440

_publ_requested_journal       'New Journal of Chemistry'

loop_
_publ_author_name
'Junk, Peter C.'
'Cole, Marcus L.'
'Jones, C.'

_publ_contact_author_name     	'Peter C Junk'  
_publ_contact_author_address 
;
Department of Chemistry
Monash University
Clayton
Victoria
3800
AUSTRALIA
;

_publ_contact_author_email       'PETER.JUNK@SCI.MONASH.EDU.AU'

_publ_section_title		
;
Lithium and Magnesium Complexes of ortho-Dimethylarsinoaniline and a
Novel Insertion of Dimethylsilanone into a Mg-N bond - Molecular Structures
of [{Li(m2:h1-NHC6H4AsMe2)(thf)2}2] and the insetion product
[{Mg2(m2:h1-NHC6H4AsMe2)2(m3-h3-OsiMe2NC6H4AsMe2)(thf)}2]
; 

data_d:\junkie\xtals\bonocpxs\marcus\linas\pj256

_database_code_CSD	173732


_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
'C16 H27 As Li N O2'
_chemical_formula_weight          347.25

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'
'Li'  'Li'  -0.0003   0.0001
'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'
'As'  'As'   0.0499   2.0058
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting            ?
_symmetry_space_group_name_H-M    ?

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

_cell_length_a                    9.223(14)
_cell_length_b                    9.965(14)
_cell_length_c                    10.775(16)
_cell_angle_alpha                 83.41(3)
_cell_angle_beta                  74.61(3)
_cell_angle_gamma                 86.59(3)
_cell_volume                      948(2)
_cell_formula_units_Z             2
_cell_measurement_temperature     296(2)
_cell_measurement_reflns_used     ?
_cell_measurement_theta_min       ?
_cell_measurement_theta_max       ?

_exptl_crystal_description        ?
_exptl_crystal_colour             ?
_exptl_crystal_size_max           0.20
_exptl_crystal_size_mid           0.20
_exptl_crystal_size_min           0.20
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.216
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              364
_exptl_absorpt_coefficient_mu     1.795
_exptl_absorpt_correction_type    ?
_exptl_absorpt_correction_T_min   0.7154
_exptl_absorpt_correction_T_max   0.7154
_exptl_absorpt_process_details    ?

_exptl_special_details
;
?
;

_diffrn_ambient_temperature       296(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   ?
_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             3929
_diffrn_reflns_av_R_equivalents   0.0891
_diffrn_reflns_av_sigmaI/netI     0.1033
_diffrn_reflns_limit_h_min        -9
_diffrn_reflns_limit_h_max        10
_diffrn_reflns_limit_k_min        -6
_diffrn_reflns_limit_k_max        11
_diffrn_reflns_limit_l_min        -11
_diffrn_reflns_limit_l_max        11
_diffrn_reflns_theta_min          1.97
_diffrn_reflns_theta_max          23.19
_reflns_number_total              2545
_reflns_number_gt                 1317
_reflns_threshold_expression      >2sigma(I)

_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material   ?

_refine_special_details
;
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
goodness 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 threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) 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
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1718P)^2^+0.0000P] 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     mixed
_refine_ls_extinction_method      SHELXL
_refine_ls_extinction_coef        0.001(6)
_refine_ls_extinction_expression
'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^'
_refine_ls_number_reflns          2545
_refine_ls_number_parameters      235
_refine_ls_number_restraints      12
_refine_ls_R_factor_all           0.1445
_refine_ls_R_factor_gt            0.0944
_refine_ls_wR_factor_ref          0.2676
_refine_ls_wR_factor_gt           0.2282
_refine_ls_goodness_of_fit_ref    0.925
_refine_ls_restrained_S_all       0.925
_refine_ls_shift/su_max           0.605
_refine_ls_shift/su_mean          0.058

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
As1 As 0.53683(12) 0.84975(12) 0.78369(12) 0.1069(7) Uani 1 1 d . B .
O1 O 1.1145(10) 1.1022(9) 0.6960(7) 0.118(3) Uani 1 1 d . . .
N1 N 0.8722(10) 0.9126(7) 0.6069(7) 0.077(2) Uani 1 1 d . . .
C1 C 0.8648(9) 0.8087(7) 0.7023(7) 0.061(2) Uani 1 1 d . B .
Li1 Li 0.9908(16) 1.0888(13) 0.5776(13) 0.074(4) Uani 1 1 d . . .
O2 O 0.8382(10) 1.2346(7) 0.6138(9) 0.109(3) Uani 1 1 d . . .
C2 C 0.9986(10) 0.7436(9) 0.7204(9) 0.075(2) Uani 1 1 d . . .
H2 H 1.0904 0.7777 0.6719 0.090 Uiso 1 1 calc R B .
C3 C 0.9978(14) 0.6310(10) 0.8076(11) 0.094(3) Uani 1 1 d . B .
H3 H 1.0892 0.5898 0.8137 0.113 Uiso 1 1 calc R . .
C4 C 0.8713(15) 0.5793(10) 0.8833(10) 0.094(3) Uani 1 1 d . . .
H4 H 0.8731 0.5024 0.9407 0.113 Uiso 1 1 calc R B .
C5 C 0.7366(12) 0.6431(10) 0.8740(9) 0.088(3) Uani 1 1 d . B .
H5 H 0.6477 0.6111 0.9302 0.106 Uiso 1 1 calc R . .
C6 C 0.7291(10) 0.7520(8) 0.7850(8) 0.076(2) Uani 1 1 d . . .
C7 C 0.446(4) 0.738(4) 0.694(4) 0.339(17) Uani 1 1 d U . .
H7A H 0.5154 0.7227 0.6126 0.508 Uiso 1 1 calc R B .
H7B H 0.3562 0.7824 0.6791 0.508 Uiso 1 1 calc R . .
H7C H 0.4218 0.6532 0.7453 0.508 Uiso 1 1 calc R . .
C8 C 0.394(3) 0.771(3) 0.943(3) 0.261(12) Uani 1 1 d U . .
H8A H 0.2987 0.8189 0.9532 0.392 Uiso 1 1 calc R B .
H8B H 0.4325 0.7797 1.0159 0.392 Uiso 1 1 calc R . .
H8C H 0.3819 0.6778 0.9361 0.392 Uiso 1 1 calc R . .
C9 C 1.2456(14) 1.1800(14) 0.6776(12) 0.119(4) Uani 1 1 d . B .
H9A H 1.2521 1.2493 0.6055 0.142 Uiso 1 1 calc R . .
H9B H 1.3354 1.1221 0.6586 0.142 Uiso 1 1 calc R . .
C10 C 1.2333(18) 1.2433(17) 0.7991(15) 0.149(5) Uani 1 1 d . . .
H10A H 1.1756 1.3280 0.8021 0.179 Uiso 1 1 calc R A 3
H10B H 1.3308 1.2563 0.8133 0.179 Uiso 1 1 calc R A 3
C11 C 1.144(6) 1.124(7) 0.896(4) 0.15(2) Uani 0.53(7) 1 d P B 3
H11A H 1.2132 1.0647 0.9324 0.183 Uiso 0.53(7) 1 calc PR B 3
H11B H 1.0698 1.1611 0.9669 0.183 Uiso 0.53(7) 1 calc PR B 3
C11A C 1.095(8) 1.189(6) 0.886(4) 0.115(16) Uani 0.47(7) 1 d P B 4
H11C H 1.0270 1.2638 0.9145 0.138 Uiso 0.47(7) 1 calc PR B 4
H11D H 1.1191 1.1406 0.9618 0.138 Uiso 0.47(7) 1 calc PR B 4
C12 C 1.078(6) 1.057(4) 0.829(4) 0.102(13) Uani 0.53(7) 1 d P B 3
H12A H 0.9694 1.0653 0.8638 0.123 Uiso 0.53(7) 1 calc PR B 3
H12B H 1.1061 0.9617 0.8397 0.123 Uiso 0.53(7) 1 calc PR B 3
C12A C 1.017(5) 1.097(9) 0.830(5) 0.17(4) Uani 0.47(7) 1 d P B 4
H12C H 1.0130 1.0068 0.8741 0.210 Uiso 0.47(7) 1 calc PR B 4
H12D H 0.9151 1.1307 0.8313 0.210 Uiso 0.47(7) 1 calc PR B 4
C13 C 0.702(15) 1.236(11) 0.678(10) 0.17(4) Uani 0.36(9) 1 d P B 1
H13A H 0.6972 1.2064 0.7676 0.203 Uiso 0.36(9) 1 calc PR B 1
H13B H 0.6497 1.1704 0.6468 0.203 Uiso 0.36(9) 1 calc PR B 1
C13A C 0.678(3) 1.228(4) 0.623(7) 0.140(18) Uani 0.64(9) 1 d P B 2
H13C H 0.6253 1.1764 0.7022 0.168 Uiso 0.64(9) 1 calc PR B 2
H13D H 0.6609 1.1902 0.5492 0.168 Uiso 0.64(9) 1 calc PR B 2
C14 C 0.621(7) 1.367(6) 0.671(8) 0.12(2) Uani 0.36(9) 1 d P B 1
H14A H 0.5893 1.4020 0.7551 0.146 Uiso 0.36(9) 1 calc PR B 1
H14B H 0.5350 1.3627 0.6366 0.146 Uiso 0.36(9) 1 calc PR B 1
C14A C 0.631(6) 1.386(5) 0.622(9) 0.24(3) Uani 0.64(9) 1 d P B 2
H14C H 0.5599 1.4085 0.5710 0.290 Uiso 0.64(9) 1 calc PR B 2
H14D H 0.5849 1.4077 0.7100 0.290 Uiso 0.64(9) 1 calc PR B 2
C15 C 0.7521(15) 1.4537(12) 0.5737(15) 0.127(4) Uani 1 1 d . . .
H15A H 0.7445 1.4583 0.4852 0.152 Uiso 1 1 calc R B 1
H15B H 0.7522 1.5444 0.5979 0.152 Uiso 1 1 calc R B 1
C16 C 0.8847(16) 1.3737(11) 0.5914(15) 0.125(4) Uani 1 1 d . B .
H16A H 0.9682 1.3867 0.5148 0.150 Uiso 1 1 calc R . .
H16B H 0.9151 1.3989 0.6649 0.150 Uiso 1 1 calc R . .
H1 H 0.785(13) 0.945(10) 0.617(10) 0.10(3) Uiso 1 1 d . . .

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
As1 0.0737(8) 0.0988(10) 0.1278(11) 0.0235(7) -0.0045(6) -0.0079(5)
O1 0.132(6) 0.148(7) 0.071(4) -0.003(4) -0.010(4) -0.066(5)
N1 0.080(5) 0.062(4) 0.082(5) 0.007(4) -0.015(4) -0.006(4)
C1 0.072(5) 0.050(4) 0.057(4) 0.007(4) -0.010(4) -0.012(4)
Li1 0.082(9) 0.058(8) 0.075(8) 0.003(6) -0.011(7) -0.020(7)
O2 0.097(6) 0.067(5) 0.141(7) -0.001(4) 0.004(5) -0.011(4)
C2 0.076(6) 0.071(6) 0.079(5) -0.005(5) -0.018(5) -0.015(4)
C3 0.111(8) 0.070(6) 0.106(8) 0.006(6) -0.047(7) 0.010(6)
C4 0.128(9) 0.070(6) 0.088(7) 0.020(5) -0.045(7) -0.015(6)
C5 0.090(7) 0.091(7) 0.077(6) 0.018(5) -0.015(6) -0.029(6)
C6 0.091(6) 0.057(5) 0.077(5) 0.019(4) -0.023(5) -0.015(4)
C7 0.331(19) 0.344(19) 0.342(19) -0.049(10) -0.086(11) -0.004(10)
C8 0.251(14) 0.265(14) 0.257(14) -0.008(9) -0.058(10) 0.007(9)
C9 0.097(8) 0.141(11) 0.103(8) -0.004(8) 0.001(7) -0.030(7)
C10 0.146(12) 0.162(13) 0.143(12) -0.061(11) -0.014(10) -0.053(11)
C11 0.19(4) 0.12(3) 0.080(17) 0.03(2) 0.05(2) 0.02(3)
C11A 0.17(4) 0.08(3) 0.09(2) -0.02(2) -0.02(3) -0.04(3)
C12 0.12(3) 0.11(2) 0.087(18) 0.009(16) -0.040(19) -0.077(19)
C12A 0.06(2) 0.36(10) 0.07(2) 0.07(4) 0.009(18) -0.01(3)
C13 0.23(11) 0.11(5) 0.16(6) -0.05(4) -0.02(6) -0.04(6)
C13A 0.066(15) 0.10(2) 0.23(5) 0.03(3) -0.02(2) -0.011(11)
C14 0.07(3) 0.06(3) 0.18(4) -0.02(3) 0.06(3) 0.02(2)
C14A 0.14(3) 0.12(3) 0.40(8) 0.11(4) -0.02(4) -0.02(2)
C15 0.118(9) 0.063(7) 0.171(12) -0.004(7) 0.010(9) -0.004(7)
C16 0.150(11) 0.066(7) 0.173(12) -0.017(7) -0.062(10) -0.020(7)

_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
As1 C7 1.91(4) . ?
As1 C8 1.97(3) . ?
As1 C6 1.975(9) . ?
O1 C12 1.41(3) . ?
O1 C9 1.432(13) . ?
O1 C12A 1.48(5) . ?
O1 Li1 1.944(16) . ?
N1 C1 1.364(10) . ?
N1 Li1 2.054(17) 2_776 ?
N1 Li1 2.073(14) . ?
C1 C2 1.408(12) . ?
C1 C6 1.434(12) . ?
Li1 O2 1.960(17) . ?
Li1 N1 2.054(17) 2_776 ?
Li1 Li1 2.54(3) 2_776 ?
O2 C13 1.26(12) . ?
O2 C16 1.450(13) . ?
O2 C13A 1.46(4) . ?
C2 C3 1.377(13) . ?
C3 C4 1.328(15) . ?
C4 C5 1.383(15) . ?
C5 C6 1.374(12) . ?
C9 C10 1.492(18) . ?
C10 C11A 1.46(5) . ?
C10 C11 1.60(5) . ?
C11 C12 1.32(6) . ?
C11A C12A 1.47(7) . ?
C13 C14 1.47(13) . ?
C13A C14A 1.61(7) . ?
C14 C15 1.60(7) . ?
C14A C15 1.29(6) . ?
C15 C16 1.463(17) . ?

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
C7 As1 C8 86.0(14) . . ?
C7 As1 C6 102.7(13) . . ?
C8 As1 C6 104.1(9) . . ?
C12 O1 C9 103.8(16) . . ?
C12 O1 C12A 27(2) . . ?
C9 O1 C12A 113(3) . . ?
C12 O1 Li1 126.3(18) . . ?
C9 O1 Li1 129.0(8) . . ?
C12A O1 Li1 109(2) . . ?
C1 N1 Li1 124.3(8) . 2_776 ?
C1 N1 Li1 128.0(7) . . ?
Li1 N1 Li1 75.9(7) 2_776 . ?
N1 C1 C2 119.6(8) . . ?
N1 C1 C6 125.5(7) . . ?
C2 C1 C6 114.8(7) . . ?
O1 Li1 O2 104.7(8) . . ?
O1 Li1 N1 108.9(8) . 2_776 ?
O2 Li1 N1 118.5(7) . 2_776 ?
O1 Li1 N1 115.5(7) . . ?
O2 Li1 N1 105.6(7) . . ?
N1 Li1 N1 104.1(7) 2_776 . ?
O1 Li1 Li1 127.9(10) . 2_776 ?
O2 Li1 Li1 127.3(10) . 2_776 ?
N1 Li1 Li1 52.4(6) 2_776 2_776 ?
N1 Li1 Li1 51.7(5) . 2_776 ?
C13 O2 C16 107(5) . . ?
C13 O2 C13A 29(4) . . ?
C16 O2 C13A 110.7(18) . . ?
C13 O2 Li1 133(5) . . ?
C16 O2 Li1 119.3(9) . . ?
C13A O2 Li1 127(2) . . ?
C3 C2 C1 122.2(9) . . ?
C4 C3 C2 122.3(10) . . ?
C3 C4 C5 118.0(9) . . ?
C6 C5 C4 122.6(9) . . ?
C5 C6 C1 120.0(8) . . ?
C5 C6 As1 121.5(7) . . ?
C1 C6 As1 118.0(6) . . ?
O1 C9 C10 108.0(11) . . ?
C11A C10 C9 103.3(19) . . ?
C11A C10 C11 29(2) . . ?
C9 C10 C11 97(3) . . ?
C12 C11 C10 107(3) . . ?
C10 C11A C12A 115(3) . . ?
C11 C12 O1 113(2) . . ?
O1 C12A C11A 101(3) . . ?
O2 C13 C14 115(8) . . ?
O2 C13A C14A 100(4) . . ?
C13 C14 C15 99(5) . . ?
C15 C14A C13A 108(4) . . ?
C14A C15 C16 111(3) . . ?
C14A C15 C14 17(6) . . ?
C16 C15 C14 101(3) . . ?
O2 C16 C15 105.0(10) . . ?

_diffrn_measured_fraction_theta_max    0.942
_diffrn_reflns_theta_full              23.19
_diffrn_measured_fraction_theta_full   0.942
_refine_diff_density_max    0.447
_refine_diff_density_min   -0.552
_refine_diff_density_rms    0.099

data_d:\junkie\xtals\bonocpxs\marcus\mgasn\pj277

_database_code_CSD	173733


_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
'C60 H92 As6 Mg4 N6 O4 Si2'
_chemical_formula_weight          1564.34

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'
'Si'  'Si'   0.0817   0.0704
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'As'  'As'   0.0499   2.0058
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting            ?
_symmetry_space_group_name_H-M    ?

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                    11.7997(11)
_cell_length_b                    18.7061(17)
_cell_length_c                    20.367(2)
_cell_angle_alpha                 90.00
_cell_angle_beta                  103.910(2)
_cell_angle_gamma                 90.00
_cell_volume                      4363.6(7)
_cell_formula_units_Z             2
_cell_measurement_temperature     296(2)
_cell_measurement_reflns_used     ?
_cell_measurement_theta_min       ?
_cell_measurement_theta_max       ?

_exptl_crystal_description        ?
_exptl_crystal_colour             ?
_exptl_crystal_size_max           0.36
_exptl_crystal_size_mid           0.32
_exptl_crystal_size_min           0.30
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.191
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              1600
_exptl_absorpt_coefficient_mu     2.365
_exptl_absorpt_correction_type    ?
_exptl_absorpt_correction_T_min   0.4831
_exptl_absorpt_correction_T_max   0.5373
_exptl_absorpt_process_details    ?

_exptl_special_details
;
?
;

_diffrn_ambient_temperature       296(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   ?
_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             19635
_diffrn_reflns_av_R_equivalents   0.0756
_diffrn_reflns_av_sigmaI/netI     0.0717
_diffrn_reflns_limit_h_min        -13
_diffrn_reflns_limit_h_max        12
_diffrn_reflns_limit_k_min        -20
_diffrn_reflns_limit_k_max        19
_diffrn_reflns_limit_l_min        -21
_diffrn_reflns_limit_l_max        22
_diffrn_reflns_theta_min          2.13
_diffrn_reflns_theta_max          23.32
_reflns_number_total              6219
_reflns_number_gt                 3616
_reflns_threshold_expression      >2sigma(I)

_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material   ?

_refine_special_details
;
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
goodness 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 threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) 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
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0929P)^2^+0.0000P] 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     mixed
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          6219
_refine_ls_number_parameters      382
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0961
_refine_ls_R_factor_gt            0.0565
_refine_ls_wR_factor_ref          0.1603
_refine_ls_wR_factor_gt           0.1424
_refine_ls_goodness_of_fit_ref    0.926
_refine_ls_restrained_S_all       0.926
_refine_ls_shift/su_max           0.002
_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
As1 As 0.37999(7) -0.28157(4) -0.03816(5) 0.0862(3) Uani 1 1 d . . .
Si1 Si 0.69122(14) -0.09398(8) 0.08297(8) 0.0535(4) Uani 1 1 d . . .
Mg1 Mg 0.41503(16) -0.02876(9) 0.04026(9) 0.0487(5) Uani 1 1 d . . .
O1 O 0.5883(3) -0.04186(18) 0.03744(17) 0.0476(9) Uani 1 1 d . . .
N1 N 0.3535(5) -0.1119(3) -0.0323(3) 0.0533(13) Uani 1 1 d . . .
C1 C 0.2482(5) -0.1496(3) -0.0433(3) 0.0549(15) Uani 1 1 d . . .
C19 C 0.9810(8) -0.1158(4) 0.2811(4) 0.096(2) Uani 1 1 d . . .
H19 H 1.0187 -0.1596 0.2909 0.115 Uiso 1 1 calc R . .
C20 C 1.0144(8) -0.0603(6) 0.3238(5) 0.125(3) Uani 1 1 d . . .
H20 H 1.0750 -0.0653 0.3623 0.150 Uiso 1 1 calc R . .
As2 As 0.34131(8) 0.18179(5) 0.17167(4) 0.0995(3) Uani 1 1 d . . .
Mg2 Mg 0.63959(16) 0.04696(10) 0.11326(9) 0.0518(5) Uani 1 1 d . . .
O2 O 0.2907(4) -0.0646(2) 0.0942(2) 0.0704(12) Uani 1 1 d . . .
N2 N 0.4673(4) 0.0504(2) 0.1201(2) 0.0538(12) Uani 1 1 d . . .
H23 H 0.4365 0.0934 0.1041 0.100 Uiso 1 1 calc R . .
C2 C 0.1437(6) -0.1100(4) -0.0524(3) 0.0689(18) Uani 1 1 d . . .
H2 H 0.1472 -0.0603 -0.0527 0.083 Uiso 1 1 calc R . .
As3 As 0.78152(6) 0.10193(4) 0.23002(4) 0.0690(3) Uani 1 1 d . . .
N3 N 0.7468(4) -0.0367(2) 0.1478(2) 0.0567(13) Uani 1 1 d . . .
C3 C 0.0364(6) -0.1429(5) -0.0610(4) 0.094(2) Uani 1 1 d . . .
H3 H -0.0307 -0.1151 -0.0677 0.112 Uiso 1 1 calc R . .
C4 C 0.0268(7) -0.2168(5) -0.0598(5) 0.102(3) Uani 1 1 d . . .
H4 H -0.0453 -0.2386 -0.0636 0.123 Uiso 1 1 calc R . .
C5 C 0.1251(7) -0.2563(4) -0.0529(4) 0.084(2) Uani 1 1 d . . .
H5 H 0.1185 -0.3058 -0.0535 0.101 Uiso 1 1 calc R . .
C6 C 0.2387(6) -0.2254(3) -0.0448(3) 0.0649(17) Uani 1 1 d . . .
C7 C 0.3656(16) -0.3482(9) 0.0320(9) 0.285(11) Uani 1 1 d . . .
H7A H 0.3656 -0.3225 0.0727 0.427 Uiso 1 1 calc R . .
H7B H 0.4301 -0.3810 0.0402 0.427 Uiso 1 1 calc R . .
H7C H 0.2938 -0.3744 0.0178 0.427 Uiso 1 1 calc R . .
C8 C 0.3230(9) -0.3414(7) -0.1183(7) 0.189(6) Uani 1 1 d . . .
H8A H 0.3805 -0.3770 -0.1207 0.283 Uiso 1 1 calc R . .
H8B H 0.3091 -0.3121 -0.1582 0.283 Uiso 1 1 calc R . .
H8C H 0.2516 -0.3643 -0.1154 0.283 Uiso 1 1 calc R . .
C9 C 0.4571(5) 0.0428(3) 0.1870(3) 0.0572(16) Uani 1 1 d . . .
C10 C 0.5042(6) -0.0166(4) 0.2236(3) 0.0744(19) Uani 1 1 d . . .
H10 H 0.5400 -0.0508 0.2022 0.089 Uiso 1 1 calc R . .
C11 C 0.5013(8) -0.0281(4) 0.2898(4) 0.101(3) Uani 1 1 d . . .
H11 H 0.5345 -0.0687 0.3130 0.122 Uiso 1 1 calc R . .
C12 C 0.4461(10) 0.0239(5) 0.3208(5) 0.117(3) Uani 1 1 d . . .
H12 H 0.4416 0.0174 0.3654 0.141 Uiso 1 1 calc R . .
C13 C 0.3987(8) 0.0840(5) 0.2865(4) 0.099(3) Uani 1 1 d . . .
H13 H 0.3617 0.1175 0.3079 0.119 Uiso 1 1 calc R . .
C14 C 0.4051(6) 0.0954(3) 0.2205(3) 0.0707(18) Uani 1 1 d . . .
C15 C 0.2246(8) 0.2086(6) 0.2196(6) 0.162(5) Uani 1 1 d . . .
H15A H 0.1530 0.1839 0.2005 0.242 Uiso 1 1 calc R . .
H15B H 0.2115 0.2593 0.2157 0.242 Uiso 1 1 calc R . .
H15C H 0.2514 0.1960 0.2665 0.242 Uiso 1 1 calc R . .
C16 C 0.4650(11) 0.2464(6) 0.2214(8) 0.193(6) Uani 1 1 d . . .
H16A H 0.4959 0.2281 0.2662 0.289 Uiso 1 1 calc R . .
H16B H 0.4328 0.2931 0.2242 0.289 Uiso 1 1 calc R . .
H16C H 0.5264 0.2494 0.1980 0.289 Uiso 1 1 calc R . .
C17 C 0.8342(5) -0.0451(3) 0.2053(3) 0.0569(15) Uani 1 1 d . . .
C18 C 0.8938(6) -0.1093(4) 0.2242(3) 0.0713(19) Uani 1 1 d . . .
H18 H 0.8729 -0.1492 0.1967 0.086 Uiso 1 1 calc R . .
C21 C 0.9559(7) 0.0048(5) 0.3089(4) 0.107(3) Uani 1 1 d . . .
H21 H 0.9763 0.0433 0.3384 0.128 Uiso 1 1 calc R . .
C22 C 0.8668(6) 0.0127(4) 0.2502(3) 0.0735(19) Uani 1 1 d . . .
C23 C 0.7407(8) 0.1216(5) 0.3151(4) 0.102(3) Uani 1 1 d . . .
H23A H 0.8089 0.1170 0.3516 0.153 Uiso 1 1 calc R . .
H23B H 0.6823 0.0883 0.3213 0.153 Uiso 1 1 calc R . .
H23C H 0.7107 0.1694 0.3144 0.153 Uiso 1 1 calc R . .
C24 C 0.9036(7) 0.1712(4) 0.2363(4) 0.104(3) Uani 1 1 d . . .
H24A H 0.9598 0.1657 0.2788 0.156 Uiso 1 1 calc R . .
H24B H 0.8710 0.2184 0.2334 0.156 Uiso 1 1 calc R . .
H24C H 0.9413 0.1640 0.2000 0.156 Uiso 1 1 calc R . .
C25 C 0.7967(6) -0.1198(4) 0.0325(4) 0.078(2) Uani 1 1 d . . .
H25A H 0.7592 -0.1514 -0.0033 0.117 Uiso 1 1 calc R . .
H25B H 0.8623 -0.1437 0.0612 0.117 Uiso 1 1 calc R . .
H25C H 0.8231 -0.0778 0.0136 0.117 Uiso 1 1 calc R . .
C26 C 0.6242(6) -0.1760(3) 0.1073(4) 0.080(2) Uani 1 1 d . . .
H26A H 0.5597 -0.1633 0.1262 0.120 Uiso 1 1 calc R . .
H26B H 0.6812 -0.2018 0.1404 0.120 Uiso 1 1 calc R . .
H26C H 0.5967 -0.2054 0.0681 0.120 Uiso 1 1 calc R . .
C27 C 0.2870(8) -0.1344(4) 0.1254(4) 0.099(3) Uani 1 1 d . . .
H27A H 0.3589 -0.1438 0.1590 0.118 Uiso 1 1 calc R . .
H27B H 0.2748 -0.1720 0.0916 0.118 Uiso 1 1 calc R . .
C28 C 0.1874(11) -0.1297(7) 0.1571(7) 0.179(5) Uani 1 1 d . . .
H28A H 0.2086 -0.1501 0.2022 0.215 Uiso 1 1 calc R . .
H28B H 0.1216 -0.1563 0.1306 0.215 Uiso 1 1 calc R . .
C29 C 0.1546(11) -0.0525(7) 0.1609(7) 0.173(5) Uani 1 1 d . . .
H29A H 0.0707 -0.0468 0.1528 0.207 Uiso 1 1 calc R . .
H29B H 0.1916 -0.0320 0.2045 0.207 Uiso 1 1 calc R . .
C30 C 0.1974(6) -0.0209(4) 0.1086(4) 0.087(2) Uani 1 1 d . . .
H30A H 0.2268 0.0266 0.1221 0.105 Uiso 1 1 calc R . .
H30B H 0.1346 -0.0166 0.0681 0.105 Uiso 1 1 calc R . .
H22 H 0.402(4) -0.141(3) -0.027(3) 0.038(18) Uiso 1 1 d . . .

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
As1 0.0868(6) 0.0542(5) 0.1145(7) -0.0067(4) 0.0181(5) 0.0023(4)
Si1 0.0556(10) 0.0473(10) 0.0587(11) 0.0026(7) 0.0158(8) 0.0076(8)
Mg1 0.0513(11) 0.0468(11) 0.0532(12) 0.0010(8) 0.0231(9) 0.0009(9)
O1 0.049(2) 0.046(2) 0.050(2) -0.0027(17) 0.0160(18) 0.0025(17)
N1 0.043(3) 0.050(3) 0.070(4) -0.002(3) 0.020(3) -0.002(3)
C1 0.062(4) 0.058(4) 0.050(4) -0.003(3) 0.022(3) -0.002(3)
C19 0.101(6) 0.080(5) 0.099(6) 0.000(5) 0.009(5) 0.024(5)
C20 0.096(7) 0.146(9) 0.108(7) -0.002(7) -0.025(6) 0.039(6)
As2 0.1200(7) 0.0920(6) 0.0896(6) -0.0201(5) 0.0313(5) 0.0374(5)
Mg2 0.0532(11) 0.0504(11) 0.0536(12) -0.0018(9) 0.0160(9) 0.0030(9)
O2 0.081(3) 0.069(3) 0.074(3) -0.004(2) 0.043(3) -0.015(2)
N2 0.058(3) 0.055(3) 0.054(3) -0.002(2) 0.024(2) 0.004(2)
C2 0.065(4) 0.070(4) 0.075(5) -0.012(3) 0.023(4) 0.006(4)
As3 0.0718(5) 0.0669(5) 0.0664(5) -0.0095(3) 0.0127(4) -0.0017(4)
N3 0.053(3) 0.052(3) 0.062(3) 0.001(2) 0.009(3) 0.003(2)
C3 0.055(5) 0.123(7) 0.108(6) -0.014(5) 0.030(4) -0.003(5)
C4 0.067(5) 0.107(7) 0.139(8) -0.015(6) 0.036(5) -0.029(5)
C5 0.086(6) 0.067(5) 0.103(6) -0.007(4) 0.027(5) -0.031(4)
C6 0.076(4) 0.054(4) 0.070(4) -0.001(3) 0.029(4) -0.009(3)
C7 0.37(2) 0.263(17) 0.30(2) 0.213(16) 0.227(18) 0.188(17)
C8 0.136(9) 0.208(12) 0.235(14) -0.135(11) 0.069(9) -0.012(9)
C9 0.067(4) 0.059(4) 0.053(4) -0.011(3) 0.028(3) -0.008(3)
C10 0.105(6) 0.062(4) 0.065(5) 0.002(3) 0.038(4) -0.006(4)
C11 0.155(8) 0.083(6) 0.072(6) 0.014(4) 0.039(5) -0.010(5)
C12 0.190(10) 0.107(7) 0.079(6) -0.014(5) 0.080(7) -0.026(7)
C13 0.132(7) 0.099(7) 0.085(6) -0.009(5) 0.060(5) 0.000(5)
C14 0.077(4) 0.080(5) 0.064(5) -0.013(3) 0.034(4) -0.007(4)
C15 0.103(7) 0.213(12) 0.168(10) -0.062(9) 0.032(7) 0.060(8)
C16 0.196(13) 0.087(7) 0.284(17) 0.017(9) 0.036(11) -0.025(8)
C17 0.050(4) 0.062(4) 0.060(4) 0.003(3) 0.016(3) 0.001(3)
C18 0.061(4) 0.076(5) 0.071(5) 0.017(4) 0.004(4) 0.016(4)
C21 0.104(6) 0.107(7) 0.085(6) -0.021(5) -0.022(5) 0.028(5)
C22 0.064(4) 0.084(5) 0.065(4) -0.002(4) 0.001(4) 0.006(4)
C23 0.114(6) 0.115(6) 0.079(6) -0.018(5) 0.028(5) -0.006(5)
C24 0.105(6) 0.101(6) 0.106(7) -0.006(5) 0.026(5) -0.027(5)
C25 0.075(5) 0.073(4) 0.089(5) -0.007(4) 0.025(4) 0.028(4)
C26 0.084(5) 0.069(5) 0.082(5) 0.011(4) 0.010(4) -0.002(4)
C27 0.123(7) 0.087(6) 0.099(6) 0.004(5) 0.053(5) -0.025(5)
C28 0.187(12) 0.179(12) 0.217(13) 0.071(10) 0.140(11) -0.015(10)
C29 0.186(12) 0.149(10) 0.235(14) 0.029(10) 0.150(11) 0.009(9)
C30 0.076(5) 0.098(6) 0.104(6) -0.022(4) 0.052(4) -0.023(4)

_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
As1 C7 1.934(11) . ?
As1 C6 1.948(7) . ?
As1 C8 1.960(10) . ?
Si1 O1 1.656(4) . ?
Si1 N3 1.704(5) . ?
Si1 C26 1.848(6) . ?
Si1 C25 1.859(7) . ?
Mg1 O1 2.054(4) 3_655 ?
Mg1 O1 2.074(4) . ?
Mg1 O2 2.141(4) . ?
Mg1 N1 2.148(5) . ?
Mg1 N2 2.176(5) . ?
Mg1 Mg2 3.056(3) 3_655 ?
Mg1 Mg1 3.074(4) 3_655 ?
O1 Mg1 2.054(4) 3_655 ?
O1 Mg2 2.250(4) . ?
N1 C1 1.399(7) . ?
N1 Mg2 2.065(5) 3_655 ?
C1 C2 1.412(8) . ?
C1 C6 1.422(8) . ?
C19 C20 1.353(11) . ?
C19 C18 1.357(10) . ?
C20 C21 1.397(11) . ?
As2 C15 1.937(9) . ?
As2 C14 1.951(7) . ?
As2 C16 1.977(11) . ?
Mg2 N3 2.030(5) . ?
Mg2 N1 2.065(5) 3_655 ?
Mg2 N2 2.072(5) . ?
Mg2 As3 2.757(2) . ?
Mg2 Mg1 3.056(3) 3_655 ?
O2 C30 1.456(8) . ?
O2 C27 1.456(8) . ?
N2 C9 1.404(7) . ?
C2 C3 1.382(9) . ?
As3 C24 1.919(7) . ?
As3 C22 1.941(7) . ?
As3 C23 1.941(8) . ?
N3 C17 1.370(7) . ?
C3 C4 1.386(10) . ?
C4 C5 1.354(10) . ?
C5 C6 1.433(9) . ?
C9 C10 1.377(8) . ?
C9 C14 1.417(8) . ?
C10 C11 1.374(10) . ?
C11 C12 1.402(11) . ?
C12 C13 1.370(11) . ?
C13 C14 1.382(10) . ?
C17 C18 1.399(8) . ?
C17 C22 1.409(9) . ?
C21 C22 1.398(9) . ?
C27 C28 1.473(12) . ?
C28 C29 1.502(14) . ?
C29 C30 1.413(12) . ?

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
C7 As1 C6 100.0(5) . . ?
C7 As1 C8 100.0(9) . . ?
C6 As1 C8 97.7(4) . . ?
O1 Si1 N3 99.1(2) . . ?
O1 Si1 C26 109.6(3) . . ?
N3 Si1 C26 115.1(3) . . ?
O1 Si1 C25 110.0(3) . . ?
N3 Si1 C25 114.1(3) . . ?
C26 Si1 C25 108.6(3) . . ?
O1 Mg1 O1 83.76(15) 3_655 . ?
O1 Mg1 O2 135.07(18) 3_655 . ?
O1 Mg1 O2 141.16(18) . . ?
O1 Mg1 N1 89.70(18) 3_655 . ?
O1 Mg1 N1 93.90(18) . . ?
O2 Mg1 N1 88.05(18) . . ?
O1 Mg1 N2 95.02(17) 3_655 . ?
O1 Mg1 N2 89.82(16) . . ?
O2 Mg1 N2 86.34(18) . . ?
N1 Mg1 N2 174.3(2) . . ?
O1 Mg1 Mg2 47.41(10) 3_655 3_655 ?
O1 Mg1 Mg2 85.72(12) . 3_655 ?
O2 Mg1 Mg2 119.20(14) . 3_655 ?
N1 Mg1 Mg2 42.45(15) . 3_655 ?
N2 Mg1 Mg2 142.42(15) . 3_655 ?
O1 Mg1 Mg1 42.12(10) 3_655 3_655 ?
O1 Mg1 Mg1 41.64(10) . 3_655 ?
O2 Mg1 Mg1 177.13(17) . 3_655 ?
N1 Mg1 Mg1 92.43(16) . 3_655 ?
N2 Mg1 Mg1 93.23(14) . 3_655 ?
Mg2 Mg1 Mg1 59.82(7) 3_655 3_655 ?
Si1 O1 Mg1 133.3(2) . 3_655 ?
Si1 O1 Mg1 130.5(2) . . ?
Mg1 O1 Mg1 96.24(15) 3_655 . ?
Si1 O1 Mg2 90.60(16) . . ?
Mg1 O1 Mg2 90.35(14) 3_655 . ?
Mg1 O1 Mg2 89.88(14) . . ?
C1 N1 Mg2 111.9(4) . 3_655 ?
C1 N1 Mg1 127.9(4) . . ?
Mg2 N1 Mg1 93.0(2) 3_655 . ?
N1 C1 C2 118.0(6) . . ?
N1 C1 C6 124.6(6) . . ?
C2 C1 C6 117.3(6) . . ?
C20 C19 C18 121.7(8) . . ?
C19 C20 C21 118.5(7) . . ?
C15 As2 C14 101.1(4) . . ?
C15 As2 C16 96.3(5) . . ?
C14 As2 C16 95.7(4) . . ?
N3 Mg2 N1 126.1(2) . 3_655 ?
N3 Mg2 N2 122.7(2) . . ?
N1 Mg2 N2 105.3(2) 3_655 . ?
N3 Mg2 O1 73.17(17) . . ?
N1 Mg2 O1 86.69(18) 3_655 . ?
N2 Mg2 O1 87.88(16) . . ?
N3 Mg2 As3 77.88(15) . . ?
N1 Mg2 As3 109.67(15) 3_655 . ?
N2 Mg2 As3 109.43(15) . . ?
O1 Mg2 As3 151.01(12) . . ?
N3 Mg2 Mg1 103.25(16) . 3_655 ?
N1 Mg2 Mg1 44.60(14) 3_655 3_655 ?
N2 Mg2 Mg1 95.93(15) . 3_655 ?
O1 Mg2 Mg1 42.24(10) . 3_655 ?
As3 Mg2 Mg1 149.20(8) . 3_655 ?
C30 O2 C27 108.2(5) . . ?
C30 O2 Mg1 124.8(4) . . ?
C27 O2 Mg1 126.9(4) . . ?
C9 N2 Mg2 112.1(4) . . ?
C9 N2 Mg1 125.5(4) . . ?
Mg2 N2 Mg1 92.00(19) . . ?
C3 C2 C1 121.8(7) . . ?
C24 As3 C22 102.9(3) . . ?
C24 As3 C23 98.9(4) . . ?
C22 As3 C23 101.6(3) . . ?
C24 As3 Mg2 126.9(3) . . ?
C22 As3 Mg2 92.2(2) . . ?
C23 As3 Mg2 127.6(3) . . ?
C17 N3 Si1 131.4(4) . . ?
C17 N3 Mg2 131.5(4) . . ?
Si1 N3 Mg2 97.1(2) . . ?
C2 C3 C4 121.2(7) . . ?
C5 C4 C3 118.3(7) . . ?
C4 C5 C6 123.1(7) . . ?
C1 C6 C5 118.1(6) . . ?
C1 C6 As1 118.4(5) . . ?
C5 C6 As1 123.5(5) . . ?
C10 C9 N2 119.3(5) . . ?
C10 C9 C14 117.7(6) . . ?
N2 C9 C14 122.9(6) . . ?
C11 C10 C9 123.7(7) . . ?
C10 C11 C12 117.2(8) . . ?
C13 C12 C11 121.1(8) . . ?
C12 C13 C14 120.8(8) . . ?
C13 C14 C9 119.4(7) . . ?
C13 C14 As2 121.3(6) . . ?
C9 C14 As2 119.3(5) . . ?
N3 C17 C18 124.0(6) . . ?
N3 C17 C22 119.9(5) . . ?
C18 C17 C22 116.1(6) . . ?
C19 C18 C17 122.7(7) . . ?
C20 C21 C22 120.6(8) . . ?
C21 C22 C17 120.4(7) . . ?
C21 C22 As3 121.1(6) . . ?
C17 C22 As3 118.4(5) . . ?
O2 C27 C28 104.4(7) . . ?
C27 C28 C29 108.8(8) . . ?
C30 C29 C28 102.7(9) . . ?
C29 C30 O2 110.0(8) . . ?

_diffrn_measured_fraction_theta_max    0.984
_diffrn_reflns_theta_full              23.32
_diffrn_measured_fraction_theta_full   0.984
_refine_diff_density_max    0.589
_refine_diff_density_min   -0.419
_refine_diff_density_rms    0.107