# Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2000
# CCDC Number: 182/1577

 
data_just44 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C16 H42 Mg N4 Si2' 
_chemical_formula_weight          371.03 
 
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' 
 
_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                    10.327(2) 
_cell_length_b                    15.066(3) 
_cell_length_c                    16.698(4) 
_cell_angle_alpha                 110.738(4) 
_cell_angle_beta                  92.948(4) 
_cell_angle_gamma                 92.182(4) 
_cell_volume                      2422.1(9) 
_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           ? 
_exptl_crystal_size_mid           ? 
_exptl_crystal_size_min           ? 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.017 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              824 
_exptl_absorpt_coefficient_mu     0.177 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
_exptl_absorpt_process_details    ? 
 
_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_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             18267 
_diffrn_reflns_av_R_equivalents   0.0273 
_diffrn_reflns_av_sigmaI/netI     0.0446 
_diffrn_reflns_limit_h_min        -12 
_diffrn_reflns_limit_h_max        12 
_diffrn_reflns_limit_k_min        -17 
_diffrn_reflns_limit_k_max        17 
_diffrn_reflns_limit_l_min        -19 
_diffrn_reflns_limit_l_max        19 
_diffrn_reflns_theta_min          1.31 
_diffrn_reflns_theta_max          25.00 
_reflns_number_total              8489 
_reflns_number_gt                 5688 
_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^)+(0.0683P)^2^+0.0975P] 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          8489 
_refine_ls_number_parameters      467 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0774 
_refine_ls_R_factor_gt            0.0443 
_refine_ls_wR_factor_ref          0.1248 
_refine_ls_wR_factor_gt           0.1111 
_refine_ls_goodness_of_fit_ref    1.021 
_refine_ls_restrained_S_all       1.021 
_refine_ls_shift/su_max           0.001 
_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 
Mg1 Mg 0.15698(7) 0.74855(5) 0.45626(5) 0.03445(19) Uani 1 1 d . . . 
Mg2 Mg 0.24191(7) 0.26132(5) 0.05737(5) 0.03155(18) Uani 1 1 d . . . 
Si1 Si -0.10856(6) 0.67533(5) 0.32363(4) 0.04455(19) Uani 1 1 d . . . 
Si2 Si 0.33304(7) 0.82316(5) 0.33052(5) 0.0456(2) Uani 1 1 d . . . 
Si3 Si -0.07066(7) 0.26944(6) 0.08540(7) 0.0607(2) Uani 1 1 d . . . 
Si4 Si 0.34276(8) 0.21767(6) 0.22887(5) 0.0517(2) Uani 1 1 d . . . 
N1 N -0.03216(18) 0.72496(14) 0.42237(12) 0.0412(5) Uani 1 1 d . . . 
N2 N 0.1430(2) 0.87044(16) 0.57501(12) 0.0467(5) Uani 1 1 d . . . 
N3 N 0.31764(18) 0.77208(15) 0.40503(13) 0.0427(5) Uani 1 1 d . . . 
N4 N 0.2159(2) 0.62586(17) 0.48692(17) 0.0606(6) Uani 1 1 d . . . 
N5 N 0.05452(19) 0.23336(14) 0.02266(14) 0.0477(5) Uani 1 1 d . . . 
N6 N 0.3200(2) 0.14528(15) -0.04566(13) 0.0495(5) Uani 1 1 d . . . 
N7 N 0.35480(19) 0.27917(16) 0.16227(13) 0.0454(5) Uani 1 1 d . . . 
N8 N 0.29411(19) 0.39678(13) 0.04174(12) 0.0395(5) Uani 1 1 d . . . 
C1 C -0.1206(2) 0.7499(2) 0.49272(16) 0.0507(7) Uani 1 1 d . . . 
H1A H -0.1094 0.7079 0.5232 0.055(5) Uiso 1 1 calc R . . 
H1B H -0.2075 0.7395 0.4683 0.055(5) Uiso 1 1 calc R . . 
C2 C -0.1024(2) 0.85092(19) 0.55605(16) 0.0510(7) Uani 1 1 d . . . 
H2A H -0.1756 0.8644 0.5897 0.068(6) Uiso 1 1 calc R . . 
H2B H -0.0999 0.8929 0.5250 0.068(6) Uiso 1 1 calc R . . 
C3 C 0.0202(3) 0.8708(2) 0.61609(18) 0.0663(9) Uani 1 1 d . . . 
H3A H 0.0155 0.9311 0.6601 0.085(8) Uiso 1 1 calc R . . 
H3B H 0.0218 0.8245 0.6426 0.085(8) Uiso 1 1 calc R . . 
C4 C 0.1504(3) 0.9525(2) 0.5447(2) 0.0768(10) Uani 1 1 d . . . 
H4A H 0.0865 0.9423 0.4988 0.109(8) Uiso 1 1 calc R . . 
H4B H 0.2342 0.9581 0.5254 0.109(8) Uiso 1 1 calc R . . 
H4C H 0.1352 1.0093 0.5906 0.109(8) Uiso 1 1 calc R . . 
C5 C 0.2534(3) 0.8851(3) 0.6370(2) 0.0950(13) Uani 1 1 d . . . 
H5A H 0.2512 0.9458 0.6809 0.127(9) Uiso 1 1 calc R . . 
H5B H 0.3318 0.8820 0.6089 0.127(9) Uiso 1 1 calc R . . 
H5C H 0.2494 0.8371 0.6616 0.127(9) Uiso 1 1 calc R . . 
C6 C -0.2117(3) 0.7606(2) 0.29443(19) 0.0691(9) Uani 1 1 d . . . 
H6A H -0.2669 0.7888 0.3392 0.089(6) Uiso 1 1 calc R . . 
H6B H -0.2630 0.7274 0.2428 0.089(6) Uiso 1 1 calc R . . 
H6C H -0.1574 0.8087 0.2865 0.089(6) Uiso 1 1 calc R . . 
C7 C -0.2212(3) 0.5699(2) 0.3115(2) 0.0777(10) Uani 1 1 d . . . 
H7A H -0.1737 0.5228 0.3235 0.124(9) Uiso 1 1 calc R . . 
H7B H -0.2593 0.5445 0.2543 0.124(9) Uiso 1 1 calc R . . 
H7C H -0.2875 0.5891 0.3503 0.124(9) Uiso 1 1 calc R . . 
C8 C 0.0123(3) 0.6315(2) 0.24015(16) 0.0572(8) Uani 1 1 d . . . 
H8A H 0.0627 0.6841 0.2370 0.122(8) Uiso 1 1 calc R . . 
H8B H -0.0325 0.5981 0.1859 0.122(8) Uiso 1 1 calc R . . 
H8C H 0.0677 0.5901 0.2552 0.122(8) Uiso 1 1 calc R . . 
C9 C 0.4410(3) 0.7439(2) 0.4356(2) 0.0621(8) Uani 1 1 d . . . 
H9A H 0.4645 0.7871 0.4922 0.077(7) Uiso 1 1 calc R . . 
H9B H 0.5070 0.7505 0.4002 0.077(7) Uiso 1 1 calc R . . 
C10 C 0.4392(3) 0.6443(2) 0.4368(2) 0.0708(9) Uani 1 1 d . . . 
H10A H 0.5261 0.6300 0.4465 0.077(7) Uiso 1 1 calc R . . 
H10B H 0.4078 0.6016 0.3816 0.077(7) Uiso 1 1 calc R . . 
C11 C 0.3580(3) 0.6255(3) 0.5031(2) 0.0723(9) Uani 1 1 d . . . 
H11A H 0.3776 0.5655 0.5057 0.085(8) Uiso 1 1 calc R . . 
H11B H 0.3830 0.6724 0.5577 0.085(8) Uiso 1 1 calc R . . 
C12 C 0.1681(4) 0.5436(2) 0.4107(3) 0.1082(15) Uani 1 1 d . . . 
H12A H 0.2056 0.5480 0.3614 0.105(7) Uiso 1 1 calc R . . 
H12B H 0.0762 0.5431 0.4033 0.105(7) Uiso 1 1 calc R . . 
H12C H 0.1917 0.4866 0.4183 0.105(7) Uiso 1 1 calc R . . 
C13 C 0.1533(4) 0.6168(3) 0.5621(3) 0.1142(16) Uani 1 1 d . . . 
H13A H 0.1761 0.5593 0.5690 0.136(10) Uiso 1 1 calc R . . 
H13B H 0.0617 0.6160 0.5530 0.136(10) Uiso 1 1 calc R . . 
H13C H 0.1822 0.6691 0.6123 0.136(10) Uiso 1 1 calc R . . 
C14 C 0.4605(3) 0.9240(2) 0.3624(2) 0.0740(9) Uani 1 1 d . . . 
H14A H 0.4367 0.9736 0.4120 0.099(7) Uiso 1 1 calc R . . 
H14B H 0.4676 0.9472 0.3167 0.099(7) Uiso 1 1 calc R . . 
H14C H 0.5416 0.9021 0.3745 0.099(7) Uiso 1 1 calc R . . 
C15 C 0.3792(3) 0.7365(2) 0.22529(18) 0.0681(9) Uani 1 1 d . . . 
H15A H 0.4621 0.7143 0.2329 0.111(8) Uiso 1 1 calc R . . 
H15B H 0.3823 0.7672 0.1845 0.111(8) Uiso 1 1 calc R . . 
H15C H 0.3165 0.6843 0.2052 0.111(8) Uiso 1 1 calc R . . 
C16 C 0.1765(3) 0.8740(2) 0.31066(18) 0.0601(8) Uani 1 1 d . . . 
H16A H 0.1054 0.8334 0.3132 0.107(7) Uiso 1 1 calc R . . 
H16B H 0.1740 0.8792 0.2555 0.107(7) Uiso 1 1 calc R . . 
H16C H 0.1710 0.9353 0.3532 0.107(7) Uiso 1 1 calc R . . 
C17 C 0.0179(4) 0.1846(2) -0.0696(2) 0.0866(12) Uani 1 1 d . . . 
H17A H 0.0300 0.2289 -0.0977 0.115(10) Uiso 1 1 calc R . . 
H17B H -0.0720 0.1657 -0.0763 0.115(10) Uiso 1 1 calc R . . 
C18 C 0.0926(4) 0.0980(3) -0.1140(3) 0.1087(16) Uani 1 1 d . . . 
H18A H 0.0857 0.0563 -0.0829 0.106(10) Uiso 1 1 calc R . . 
H18B H 0.0510 0.0659 -0.1695 0.106(10) Uiso 1 1 calc R . . 
C19 C 0.2332(5) 0.1151(3) -0.1241(2) 0.0950(13) Uani 1 1 d . . . 
H19A H 0.2630 0.0581 -0.1633 0.117(10) Uiso 1 1 calc R . . 
H19B H 0.2408 0.1622 -0.1495 0.117(10) Uiso 1 1 calc R . . 
C20 C 0.3317(3) 0.06681(19) -0.01354(19) 0.0620(8) Uani 1 1 d . . . 
H20A H 0.2498 0.0517 0.0034 0.074(5) Uiso 1 1 calc R . . 
H20B H 0.3935 0.0853 0.0344 0.074(5) Uiso 1 1 calc R . . 
H20C H 0.3593 0.0127 -0.0576 0.074(5) Uiso 1 1 calc R . . 
C21 C 0.4520(4) 0.1682(2) -0.0648(3) 0.0909(13) Uani 1 1 d . . . 
H21A H 0.5073 0.1887 -0.0135 0.106(7) Uiso 1 1 calc R . . 
H21B H 0.4497 0.2175 -0.0878 0.106(7) Uiso 1 1 calc R . . 
H21C H 0.4843 0.1133 -0.1054 0.106(7) Uiso 1 1 calc R . . 
C22 C -0.1832(4) 0.1693(3) 0.0859(4) 0.129(2) Uani 1 1 d . . . 
H22A H -0.2142 0.1325 0.0287 0.163(12) Uiso 1 1 calc R . . 
H22B H -0.2546 0.1944 0.1188 0.163(12) Uiso 1 1 calc R . . 
H22C H -0.1381 0.1304 0.1106 0.163(12) Uiso 1 1 calc R . . 
C23 C -0.1779(3) 0.3501(2) 0.0513(3) 0.0861(12) Uani 1 1 d . . . 
H23A H -0.1277 0.4049 0.0528 0.107(7) Uiso 1 1 calc R . . 
H23B H -0.2455 0.3688 0.0893 0.107(7) Uiso 1 1 calc R . . 
H23C H -0.2146 0.3173 -0.0055 0.107(7) Uiso 1 1 calc R . . 
C24 C -0.0080(3) 0.3366(2) 0.1995(2) 0.0777(10) Uani 1 1 d . . . 
H24A H 0.0597 0.3036 0.2151 0.171(12) Uiso 1 1 calc R . . 
H24B H -0.0766 0.3417 0.2364 0.171(12) Uiso 1 1 calc R . . 
H24C H 0.0245 0.3984 0.2048 0.171(12) Uiso 1 1 calc R . . 
C25 C 0.4726(3) 0.3436(3) 0.1801(2) 0.0716(9) Uani 1 1 d . . . 
H25A H 0.5357 0.3125 0.1420 0.102(9) Uiso 1 1 calc R . . 
H25B H 0.5070 0.3544 0.2369 0.102(9) Uiso 1 1 calc R . . 
C26 C 0.4522(3) 0.4392(2) 0.1713(2) 0.0746(10) Uani 1 1 d . . . 
H26A H 0.3818 0.4666 0.2041 0.102(9) Uiso 1 1 calc R . . 
H26B H 0.5276 0.4798 0.1958 0.102(9) Uiso 1 1 calc R . . 
C27 C 0.4248(3) 0.4374(2) 0.08142(19) 0.0571(7) Uani 1 1 d . . . 
H27A H 0.4348 0.5005 0.0820 0.054(5) Uiso 1 1 calc R . . 
H27B H 0.4880 0.4015 0.0463 0.054(5) Uiso 1 1 calc R . . 
C28 C 0.2862(3) 0.3920(2) -0.04845(18) 0.0636(8) Uani 1 1 d . . . 
H28A H 0.2038 0.3642 -0.0753 0.080(6) Uiso 1 1 calc R . . 
H28B H 0.3526 0.3544 -0.0782 0.080(6) Uiso 1 1 calc R . . 
H28C H 0.2973 0.4543 -0.0498 0.080(6) Uiso 1 1 calc R . . 
C29 C 0.1948(3) 0.46113(18) 0.0853(2) 0.0570(8) Uani 1 1 d . . . 
H29A H 0.2152 0.5230 0.0850 0.057(5) Uiso 1 1 calc R . . 
H29B H 0.1930 0.4636 0.1428 0.057(5) Uiso 1 1 calc R . . 
H29C H 0.1121 0.4382 0.0560 0.057(5) Uiso 1 1 calc R . . 
C30 C 0.1981(3) 0.1313(2) 0.1968(2) 0.0686(9) Uani 1 1 d . . . 
H30A H 0.1298 0.1570 0.1732 0.143(10) Uiso 1 1 calc R . . 
H30B H 0.1704 0.1197 0.2457 0.143(10) Uiso 1 1 calc R . . 
H30C H 0.2205 0.0734 0.1551 0.143(10) Uiso 1 1 calc R . . 
C31 C 0.4896(4) 0.1484(3) 0.2325(2) 0.0963(13) Uani 1 1 d . . . 
H31A H 0.4985 0.1024 0.1772 0.119(8) Uiso 1 1 calc R . . 
H31B H 0.4794 0.1174 0.2726 0.119(8) Uiso 1 1 calc R . . 
H31C H 0.5650 0.1906 0.2496 0.119(8) Uiso 1 1 calc R . . 
C32 C 0.3287(4) 0.2971(3) 0.34345(19) 0.0784(10) Uani 1 1 d . . . 
H32A H 0.3947 0.3471 0.3593 0.114(8) Uiso 1 1 calc R . . 
H32B H 0.3384 0.2611 0.3798 0.114(8) Uiso 1 1 calc R . . 
H32C H 0.2459 0.3232 0.3491 0.114(8) Uiso 1 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 
Mg1 0.0295(4) 0.0403(4) 0.0308(4) 0.0091(3) 0.0046(3) 0.0009(3) 
Mg2 0.0323(4) 0.0330(4) 0.0307(4) 0.0126(3) 0.0039(3) 0.0036(3) 
Si1 0.0295(4) 0.0557(5) 0.0364(4) 0.0017(3) 0.0024(3) -0.0003(3) 
Si2 0.0420(4) 0.0499(4) 0.0428(4) 0.0141(3) 0.0094(3) -0.0065(3) 
Si3 0.0307(4) 0.0462(4) 0.1159(7) 0.0419(5) 0.0060(4) 0.0023(3) 
Si4 0.0525(5) 0.0726(5) 0.0385(4) 0.0282(4) 0.0063(3) 0.0209(4) 
N1 0.0285(10) 0.0563(13) 0.0330(11) 0.0085(10) 0.0074(8) 0.0002(9) 
N2 0.0409(12) 0.0560(14) 0.0328(11) 0.0035(10) -0.0004(9) 0.0016(10) 
N3 0.0283(10) 0.0580(13) 0.0428(12) 0.0185(10) 0.0074(9) 0.0032(9) 
N4 0.0546(15) 0.0596(15) 0.0775(17) 0.0362(14) 0.0068(13) 0.0063(12) 
N5 0.0380(12) 0.0409(12) 0.0585(14) 0.0134(10) -0.0124(10) -0.0017(9) 
N6 0.0642(15) 0.0431(12) 0.0417(12) 0.0135(10) 0.0148(11) 0.0120(11) 
N7 0.0330(11) 0.0663(14) 0.0394(12) 0.0224(10) -0.0010(9) 0.0026(10) 
N8 0.0415(11) 0.0348(11) 0.0407(11) 0.0113(9) 0.0084(9) -0.0002(9) 
C1 0.0359(14) 0.0677(18) 0.0428(15) 0.0125(14) 0.0104(12) -0.0038(13) 
C2 0.0399(15) 0.0620(18) 0.0448(15) 0.0093(14) 0.0138(12) 0.0083(13) 
C3 0.068(2) 0.074(2) 0.0420(16) 0.0014(14) 0.0139(15) 0.0044(16) 
C4 0.085(2) 0.0528(19) 0.080(2) 0.0056(17) 0.0236(19) 0.0020(17) 
C5 0.065(2) 0.122(3) 0.057(2) -0.016(2) -0.0137(18) 0.005(2) 
C6 0.0534(18) 0.097(2) 0.0474(17) 0.0135(16) -0.0001(14) 0.0177(17) 
C7 0.0533(19) 0.077(2) 0.078(2) -0.0012(18) 0.0087(17) -0.0222(17) 
C8 0.0441(15) 0.0682(19) 0.0423(15) -0.0015(14) 0.0084(13) 0.0003(14) 
C9 0.0348(15) 0.095(2) 0.064(2) 0.0366(18) 0.0075(13) 0.0051(15) 
C10 0.0524(18) 0.093(3) 0.074(2) 0.034(2) 0.0128(16) 0.0316(17) 
C11 0.064(2) 0.081(2) 0.084(2) 0.044(2) 0.0077(18) 0.0236(17) 
C12 0.100(3) 0.044(2) 0.164(4) 0.021(2) -0.028(3) 0.0043(19) 
C13 0.095(3) 0.143(4) 0.165(4) 0.122(4) 0.042(3) 0.029(3) 
C14 0.063(2) 0.068(2) 0.089(2) 0.0283(18) 0.0020(18) -0.0194(17) 
C15 0.072(2) 0.076(2) 0.0526(18) 0.0157(16) 0.0244(16) -0.0052(17) 
C16 0.0646(19) 0.0640(19) 0.0537(17) 0.0237(15) 0.0033(14) 0.0035(15) 
C17 0.080(2) 0.068(2) 0.083(2) -0.002(2) -0.045(2) 0.0113(19) 
C18 0.112(4) 0.079(3) 0.082(3) -0.029(2) -0.053(3) 0.018(2) 
C19 0.143(4) 0.080(3) 0.0444(19) -0.0018(17) -0.002(2) 0.046(3) 
C20 0.080(2) 0.0427(16) 0.0637(19) 0.0163(14) 0.0172(16) 0.0138(15) 
C21 0.102(3) 0.067(2) 0.115(3) 0.035(2) 0.074(3) 0.028(2) 
C22 0.056(2) 0.083(3) 0.283(6) 0.110(4) 0.018(3) -0.006(2) 
C23 0.0472(18) 0.066(2) 0.156(4) 0.054(2) 0.000(2) 0.0118(16) 
C24 0.075(2) 0.084(2) 0.088(2) 0.042(2) 0.039(2) 0.0297(19) 
C25 0.0432(17) 0.112(3) 0.067(2) 0.045(2) -0.0132(15) -0.0100(17) 
C26 0.061(2) 0.081(2) 0.073(2) 0.0244(18) -0.0208(17) -0.0369(17) 
C27 0.0450(16) 0.0591(18) 0.0692(19) 0.0262(15) 0.0088(14) -0.0104(13) 
C28 0.091(2) 0.0549(18) 0.0540(18) 0.0300(15) 0.0069(16) 0.0077(16) 
C29 0.0534(17) 0.0368(14) 0.081(2) 0.0189(14) 0.0191(15) 0.0020(13) 
C30 0.083(2) 0.071(2) 0.064(2) 0.0365(17) 0.0143(17) 0.0075(18) 
C31 0.092(3) 0.138(4) 0.086(3) 0.069(3) 0.012(2) 0.054(3) 
C32 0.092(3) 0.099(3) 0.0451(18) 0.0264(17) 0.0055(17) 0.011(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 N3 1.982(2) . ? 
Mg1 N1 1.988(2) . ? 
Mg1 N4 2.185(2) . ? 
Mg1 N2 2.190(2) . ? 
Mg2 N5 1.977(2) . ? 
Mg2 N7 1.983(2) . ? 
Mg2 N6 2.188(2) . ? 
Mg2 N8 2.198(2) . ? 
Si1 N1 1.688(2) . ? 
Si1 C6 1.875(3) . ? 
Si1 C7 1.877(3) . ? 
Si1 C8 1.878(3) . ? 
Si2 N3 1.690(2) . ? 
Si2 C14 1.877(3) . ? 
Si2 C15 1.878(3) . ? 
Si2 C16 1.879(3) . ? 
Si3 N5 1.689(2) . ? 
Si3 C22 1.872(3) . ? 
Si3 C24 1.879(4) . ? 
Si3 C23 1.887(3) . ? 
Si4 N7 1.687(2) . ? 
Si4 C30 1.867(3) . ? 
Si4 C32 1.880(3) . ? 
Si4 C31 1.883(3) . ? 
N1 C1 1.476(3) . ? 
N2 C5 1.455(4) . ? 
N2 C3 1.472(3) . ? 
N2 C4 1.494(4) . ? 
N3 C9 1.481(3) . ? 
N4 C12 1.473(4) . ? 
N4 C11 1.479(4) . ? 
N4 C13 1.487(4) . ? 
N5 C17 1.474(4) . ? 
N6 C20 1.467(3) . ? 
N6 C19 1.468(4) . ? 
N6 C21 1.472(4) . ? 
N7 C25 1.476(4) . ? 
N8 C29 1.474(3) . ? 
N8 C28 1.480(3) . ? 
N8 C27 1.481(3) . ? 
C1 C2 1.513(4) . ? 
C2 C3 1.525(4) . ? 
C9 C10 1.506(4) . ? 
C10 C11 1.520(4) . ? 
C17 C18 1.516(5) . ? 
C18 C19 1.494(6) . ? 
C25 C26 1.521(4) . ? 
C26 C27 1.502(4) . ? 
 
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 
N3 Mg1 N1 137.57(9) . . ? 
N3 Mg1 N4 98.19(9) . . ? 
N1 Mg1 N4 105.86(9) . . ? 
N3 Mg1 N2 106.97(9) . . ? 
N1 Mg1 N2 97.20(8) . . ? 
N4 Mg1 N2 109.71(10) . . ? 
N5 Mg2 N7 136.01(9) . . ? 
N5 Mg2 N6 99.40(9) . . ? 
N7 Mg2 N6 105.98(9) . . ? 
N5 Mg2 N8 106.35(9) . . ? 
N7 Mg2 N8 98.57(9) . . ? 
N6 Mg2 N8 109.07(8) . . ? 
N1 Si1 C6 112.34(12) . . ? 
N1 Si1 C7 113.67(13) . . ? 
C6 Si1 C7 105.35(16) . . ? 
N1 Si1 C8 110.66(11) . . ? 
C6 Si1 C8 108.38(14) . . ? 
C7 Si1 C8 106.05(14) . . ? 
N3 Si2 C14 113.65(13) . . ? 
N3 Si2 C15 112.23(13) . . ? 
C14 Si2 C15 105.72(14) . . ? 
N3 Si2 C16 110.58(11) . . ? 
C14 Si2 C16 106.18(15) . . ? 
C15 Si2 C16 108.11(14) . . ? 
N5 Si3 C22 113.55(17) . . ? 
N5 Si3 C24 110.19(13) . . ? 
C22 Si3 C24 107.4(2) . . ? 
N5 Si3 C23 113.28(15) . . ? 
C22 Si3 C23 104.81(16) . . ? 
C24 Si3 C23 107.21(17) . . ? 
N7 Si4 C30 111.49(12) . . ? 
N7 Si4 C32 112.52(14) . . ? 
C30 Si4 C32 107.46(15) . . ? 
N7 Si4 C31 112.94(14) . . ? 
C30 Si4 C31 107.36(18) . . ? 
C32 Si4 C31 104.64(17) . . ? 
C1 N1 Si1 113.95(16) . . ? 
C1 N1 Mg1 116.64(15) . . ? 
Si1 N1 Mg1 129.35(10) . . ? 
C5 N2 C3 110.6(2) . . ? 
C5 N2 C4 106.2(3) . . ? 
C3 N2 C4 108.9(2) . . ? 
C5 N2 Mg1 113.65(18) . . ? 
C3 N2 Mg1 114.31(17) . . ? 
C4 N2 Mg1 102.48(16) . . ? 
C9 N3 Si2 114.65(16) . . ? 
C9 N3 Mg1 117.52(16) . . ? 
Si2 N3 Mg1 127.82(11) . . ? 
C12 N4 C11 110.8(3) . . ? 
C12 N4 C13 107.6(3) . . ? 
C11 N4 C13 107.8(3) . . ? 
C12 N4 Mg1 104.0(2) . . ? 
C11 N4 Mg1 113.23(18) . . ? 
C13 N4 Mg1 113.3(2) . . ? 
C17 N5 Si3 115.3(2) . . ? 
C17 N5 Mg2 117.1(2) . . ? 
Si3 N5 Mg2 127.19(12) . . ? 
C20 N6 C19 110.1(3) . . ? 
C20 N6 C21 105.9(2) . . ? 
C19 N6 C21 110.0(3) . . ? 
C20 N6 Mg2 106.02(16) . . ? 
C19 N6 Mg2 111.31(18) . . ? 
C21 N6 Mg2 113.25(19) . . ? 
C25 N7 Si4 114.28(17) . . ? 
C25 N7 Mg2 118.30(17) . . ? 
Si4 N7 Mg2 126.92(12) . . ? 
C29 N8 C28 106.6(2) . . ? 
C29 N8 C27 109.7(2) . . ? 
C28 N8 C27 108.5(2) . . ? 
C29 N8 Mg2 104.77(14) . . ? 
C28 N8 Mg2 114.16(15) . . ? 
C27 N8 Mg2 112.83(16) . . ? 
N1 C1 C2 115.4(2) . . ? 
C1 C2 C3 114.3(2) . . ? 
N2 C3 C2 115.2(2) . . ? 
N3 C9 C10 115.7(2) . . ? 
C9 C10 C11 116.1(3) . . ? 
N4 C11 C10 115.2(3) . . ? 
N5 C17 C18 115.3(3) . . ? 
C19 C18 C17 116.9(3) . . ? 
N6 C19 C18 116.6(3) . . ? 
N7 C25 C26 115.0(2) . . ? 
C27 C26 C25 116.0(3) . . ? 
N8 C27 C26 115.0(2) . . ? 
 
_diffrn_measured_fraction_theta_max    0.995 
_diffrn_reflns_theta_full              25.00 
_diffrn_measured_fraction_theta_full   0.995 
_refine_diff_density_max    0.492 
_refine_diff_density_min   -0.208 
_refine_diff_density_rms    0.040