#------------------------------------------------------------------------------
#$Date: 2016-03-26 12:01:32 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180219 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/05/7110589.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7110589
loop_
_publ_author_name
'Allan, John F.'
'Henderson, Kenneth W.'
'Kennedy, Alan R.'
_publ_contact_author
;
Alan Kennedy
Dept. of P & A Chemistry
University of Strathclyde
295 Cathedral St
Glasgow G1 1XL
Scotland
;
_publ_section_title
;
 Bis(amido)magnesium mediated aldol additions: first structural
 characterisation of an amidomagnesium aldolate intermediate
;
_journal_issue                   14
_journal_name_full               'Chemical Communications'
_journal_page_first              1325
_journal_paper_doi               10.1039/a903784e
_journal_year                    1999
_chemical_formula_sum            'C36 H82 Mg2 N2 O4 Si4'
_chemical_formula_weight         768.02
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.90(2)
_cell_angle_beta                 104.00(2)
_cell_angle_gamma                105.996(19)
_cell_formula_units_Z            1
_cell_length_a                   9.610(3)
_cell_length_b                   11.381(2)
_cell_length_c                   12.024(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      22.41
_cell_measurement_theta_min      21.35
_cell_volume                     1191.6(6)
_computing_cell_refinement       'AFC7S DIFFRACTOMETER CONTROL'
_computing_data_collection       'AFC7S DIFFRACTOMETER CONTROL'
_computing_data_reduction        TEXSAN
_computing_molecular_graphics    ORTEP
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku AFC7S Diffractometer'
_diffrn_measurement_method       ω/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0173
_diffrn_reflns_av_sigmaI/netI    0.0408
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6084
_diffrn_reflns_theta_full        28.03
_diffrn_reflns_theta_max         28.03
_diffrn_reflns_theta_min         2.92
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.185
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.070
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             424
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.524
_refine_diff_density_min         -0.365
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         5746
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.138
_refine_ls_R_factor_all          0.0661
_refine_ls_R_factor_gt           0.0488
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0518P)²+0.7217P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1337
_refine_ls_wR_factor_ref         0.1417
_reflns_number_gt                4652
_reflns_number_total             5746
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            903784esup1.cif
_cod_data_source_block           h15
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0518P)^2^+0.7217P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0518P)^2^+0.7217P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1191.5(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7110589
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_calc_flag
_atom_site_refinement_flags
Si1 Si 0.40326(7) 0.24863(5) 1.22773(6) 0.03735(16) Uani 1 d .
Si2 Si 0.71918(8) 0.27885(6) 1.36702(6) 0.04466(18) Uani 1 d .
Mg1 Mg 0.57052(7) 0.07918(5) 1.11780(5) 0.02450(15) Uani 1 d .
O1 O 0.58229(14) 0.08992(11) 0.95953(11) 0.0262(3) Uani 1 d .
O2 O 0.28821(15) 0.01199(12) 0.80470(12) 0.0322(3) Uani 1 d .
N1 N 0.56748(19) 0.21512(15) 1.24241(15) 0.0316(3) Uani 1 d .
C1 C 0.4191(3) 0.4120(2) 1.2068(3) 0.0700(9) Uani 1 d .
H1A H 0.4893 0.4741 1.2781 0.105 Uiso 1 calc R
H1B H 0.3190 0.4226 1.1918 0.105 Uiso 1 calc R
H1C H 0.4574 0.4243 1.1394 0.105 Uiso 1 calc R
C2 C 0.2484(2) 0.1415(2) 1.0936(2) 0.0434(5) Uani 1 d .
H2A H 0.2780 0.1536 1.0227 0.065 Uiso 1 calc R
H2B H 0.1545 0.1612 1.0896 0.065 Uiso 1 calc R
H2C H 0.2319 0.0538 1.0987 0.065 Uiso 1 calc R
C3 C 0.3265(4) 0.2309(3) 1.3561(3) 0.0653(8) Uani 1 d .
H3A H 0.3102 0.1449 1.3663 0.098 Uiso 1 calc R
H3B H 0.2300 0.2481 1.3410 0.098 Uiso 1 calc R
H3C H 0.3994 0.2906 1.4279 0.098 Uiso 1 calc R
C4 C 0.7093(4) 0.1811(3) 1.4792(2) 0.0712(9) Uani 1 d .
H4A H 0.6163 0.1745 1.5015 0.107 Uiso 1 calc R
H4B H 0.7977 0.2211 1.5493 0.107 Uiso 1 calc R
H4C H 0.7087 0.0969 1.4454 0.107 Uiso 1 calc R
C5 C 0.7410(4) 0.4419(3) 1.4444(3) 0.0839(11) Uani 1 d .
H5A H 0.7599 0.4991 1.3926 0.126 Uiso 1 calc R
H5B H 0.8267 0.4700 1.5169 0.126 Uiso 1 calc R
H5C H 0.6480 0.4418 1.4643 0.126 Uiso 1 calc R
C6 C 0.9024(3) 0.2892(3) 1.3346(3) 0.0582(7) Uani 1 d .
H6A H 0.8962 0.2065 1.2916 0.087 Uiso 1 calc R
H6B H 0.9852 0.3163 1.4088 0.087 Uiso 1 calc R
H6C H 0.9219 0.3504 1.2864 0.087 Uiso 1 calc R
C7 C 0.6086(3) 0.1738(2) 0.8846(2) 0.0235(5) Uani 0.805(3) d P
C8 C 0.7600(2) 0.2862(2) 0.9457(3) 0.0280(5) Uani 0.805(3) d P
C9 C 0.7409(3) 0.3793(2) 1.0444(2) 0.0333(6) Uani 0.805(3) d P
H9A H 0.6899 0.3323 1.0932 0.050 Uiso 0.805(3) calc PR
H9B H 0.6797 0.4277 1.0091 0.050 Uiso 0.805(3) calc PR
H9C H 0.8409 0.4368 1.0936 0.050 Uiso 0.805(3) calc PR
C10 C 0.8869(3) 0.2383(3) 0.9994(4) 0.0319(7) Uani 0.805(3) d P
H10A H 0.8996 0.1785 0.9378 0.048 Uiso 0.805(3) calc PR
H10B H 0.8616 0.1962 1.0605 0.048 Uiso 0.805(3) calc PR
H10C H 0.9815 0.3092 1.0346 0.048 Uiso 0.805(3) calc PR
C11 C 0.8069(2) 0.3618(2) 0.8573(2) 0.0404(5) Uani 1 d .
H11A H 0.8923 0.4384 0.8998 0.061 Uiso 1 calc R
H11B H 0.7210 0.3846 0.8153 0.061 Uiso 1 calc R
H11C H 0.8372 0.3105 0.8004 0.061 Uiso 1 calc R
C12 C 0.6164(3) 0.1045(2) 0.7664(2) 0.0312(5) Uani 0.805(3) d P
H12A H 0.7113 0.0848 0.7796 0.047 Uiso 0.805(3) calc PR
H12B H 0.6128 0.1584 0.7103 0.047 Uiso 0.805(3) calc PR
H12C H 0.5301 0.0263 0.7344 0.047 Uiso 0.805(3) calc PR
C13 C 0.4715(2) 0.2209(2) 0.8588(2) 0.0264(5) Uani 0.805(3) d P
H13A H 0.4668 0.2654 0.9347 0.040 Uiso 0.805(3) calc PR
H13B H 0.4895 0.2833 0.8106 0.040 Uiso 0.805(3) calc PR
C14 C 0.3165(2) 0.12086(18) 0.79530(17) 0.0281(4) Uani 1 d .
C15 C 0.1863(4) 0.1649(4) 0.7345(4) 0.0296(7) Uani 0.805(3) d P
C16 C 0.0330(3) 0.0666(3) 0.7179(4) 0.0509(9) Uani 0.805(3) d P
H16A H 0.0220 0.0570 0.7952 0.076 Uiso 0.805(3) calc PR
H16B H 0.0278 -0.0142 0.6716 0.076 Uiso 0.805(3) calc PR
H16C H -0.0489 0.0940 0.6762 0.076 Uiso 0.805(3) calc PR
C17 C 0.2084(6) 0.1777(4) 0.6134(3) 0.0530(10) Uani 0.805(3) d P
H17A H 0.1253 0.2011 0.5676 0.079 Uiso 0.805(3) calc PR
H17B H 0.2088 0.0973 0.5705 0.079 Uiso 0.805(3) calc PR
H17C H 0.3053 0.2430 0.6251 0.079 Uiso 0.805(3) calc PR
C18 C 0.1949(6) 0.2936(5) 0.8027(6) 0.0391(11) Uani 0.805(3) d P
H18A H 0.1143 0.3206 0.7584 0.059 Uiso 0.805(3) calc PR
H18B H 0.2939 0.3553 0.8130 0.059 Uiso 0.805(3) calc PR
H18C H 0.1822 0.2871 0.8802 0.059 Uiso 0.805(3) calc PR
C19 C 0.5923(12) 0.2091(11) 0.9152(10) 0.024(3) Uiso 0.195(3) d P
C20 C 0.7542(12) 0.2387(11) 0.8958(11) 0.030(2) Uiso 0.195(3) d P
C21 C 0.7675(13) 0.1362(11) 0.8055(10) 0.038(2) Uiso 0.195(3) d P
C22 C 0.876(2) 0.2603(17) 1.0270(16) 0.039(5) Uiso 0.195(3) d P
C23 C 0.5715(11) 0.3169(9) 0.9927(8) 0.027(2) Uiso 0.195(3) d P
C24 C 0.4715(10) 0.1726(9) 0.7888(8) 0.0234(19) Uiso 0.195(3) d P
C25 C 0.2060(19) 0.1619(16) 0.7094(14) 0.024(4) Uiso 0.195(3) d P
C26 C 0.0566(16) 0.0524(13) 0.6718(11) 0.034(3) Uiso 0.195(3) d P
C27 C 0.2601(18) 0.1927(17) 0.6055(17) 0.041(4) Uiso 0.195(3) d P
C28 C 0.192(3) 0.272(2) 0.780(2) 0.035(5) Uiso 0.195(3) d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Si Si 0.0817 0.0704 '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'
O O 0.0106 0.0060 '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'
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'
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
N1 Si1 C3 113.36(13) . .
N1 Si1 C2 111.63(10) . .
C3 Si1 C2 105.89(14) . .
N1 Si1 C1 113.60(12) . .
C3 Si1 C1 107.15(16) . .
C2 Si1 C1 104.54(13) . .
N1 Si1 Mg1 33.91(6) . .
C3 Si1 Mg1 126.76(11) . .
C2 Si1 Mg1 77.75(8) . .
C1 Si1 Mg1 123.60(12) . .
N1 Si2 C6 111.76(11) . .
N1 Si2 C5 114.36(13) . .
C6 Si2 C5 105.95(17) . .
N1 Si2 C4 112.07(13) . .
C6 Si2 C4 105.79(15) . .
C5 Si2 C4 106.31(18) . .
N1 Si2 Mg1 32.93(6) . .
C6 Si2 Mg1 84.31(9) . .
C5 Si2 Mg1 143.01(12) . .
C4 Si2 Mg1 104.66(11) . .
O1 Mg1 O1 85.90(6) . 2_657
O1 Mg1 N1 126.96(7) . .
O1 Mg1 N1 129.57(7) 2_657 .
O1 Mg1 O2 111.60(7) . 2_657
O1 Mg1 O2 87.18(6) 2_657 2_657
N1 Mg1 O2 108.51(7) . 2_657
O1 Mg1 Mg1 43.41(4) . 2_657
O1 Mg1 Mg1 42.48(4) 2_657 2_657
N1 Mg1 Mg1 147.78(6) . 2_657
O2 Mg1 Mg1 102.44(6) 2_657 2_657
O1 Mg1 Si1 115.92(5) . .
O1 Mg1 Si1 107.34(5) 2_657 .
N1 Mg1 Si1 28.40(5) . .
O2 Mg1 Si1 130.92(5) 2_657 .
Mg1 Mg1 Si1 120.09(4) 2_657 .
O1 Mg1 Si2 132.19(5) . .
O1 Mg1 Si2 141.53(5) 2_657 .
N1 Mg1 Si2 27.80(5) . .
O2 Mg1 Si2 83.21(5) 2_657 .
Mg1 Mg1 Si2 173.80(4) 2_657 .
Si1 Mg1 Si2 56.05(3) . .
C7 O1 C19 22.5(4) . .
C7 O1 Mg1 144.29(16) . .
C19 O1 Mg1 122.9(5) . .
C7 O1 Mg1 116.06(13) . 2_657
C19 O1 Mg1 126.3(4) . 2_657
Mg1 O1 Mg1 94.10(6) . 2_657
C14 O2 Mg1 130.27(12) . 2_657
Si1 N1 Si2 122.52(11) . .
Si1 N1 Mg1 117.69(9) . .
Si2 N1 Mg1 119.27(10) . .
O1 C7 C13 106.40(19) . .
O1 C7 C12 110.9(2) . .
C13 C7 C12 108.3(2) . .
O1 C7 C8 110.88(19) . .
C13 C7 C8 111.1(2) . .
C12 C7 C8 109.2(2) . .
C10 C8 C11 109.0(2) . .
C10 C8 C9 108.6(3) . .
C11 C8 C9 106.7(2) . .
C10 C8 C7 110.4(2) . .
C11 C8 C7 111.3(2) . .
C9 C8 C7 110.8(2) . .
C14 C13 C7 116.49(19) . .
O2 C14 C13 122.26(17) . .
O2 C14 C15 119.2(2) . .
C13 C14 C15 117.8(2) . .
C16 C15 C18 110.5(4) . .
C16 C15 C14 110.2(3) . .
C18 C15 C14 112.1(3) . .
C16 C15 C17 110.2(3) . .
C18 C15 C17 108.6(3) . .
C14 C15 C17 105.1(3) . .
C23 C19 O1 117.2(8) . .
C23 C19 C20 114.5(9) . .
O1 C19 C20 100.2(8) . .
C23 C19 C24 109.2(9) . .
O1 C19 C24 108.1(8) . .
C20 C19 C24 107.0(9) . .
C21 C20 C19 114.0(10) . .
C21 C20 C22 110.9(10) . .
C19 C20 C22 105.8(10) . .
C28 C25 C27 111.3(17) . .
C28 C25 C26 110.3(15) . .
C27 C25 C26 112.6(13) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 N1 1.6985(18) .
Si1 C3 1.879(3) .
Si1 C2 1.879(3) .
Si1 C1 1.885(3) .
Si1 Mg1 3.1618(11) .
Si2 N1 1.7089(19) .
Si2 C6 1.870(3) .
Si2 C5 1.873(3) .
Si2 C4 1.880(3) .
Si2 Mg1 3.1964(15) .
Mg1 O1 1.9540(15) .
Mg1 O1 1.9881(15) 2_657
Mg1 N1 1.9920(19) .
Mg1 O2 2.0619(15) 2_657
Mg1 Mg1 2.8855(16) 2_657
O1 C7 1.426(2) .
O1 C19 1.520(11) .
O1 Mg1 1.9881(15) 2_657
O2 C14 1.223(2) .
O2 Mg1 2.0619(15) 2_657
C7 C13 1.537(3) .
C7 C12 1.544(4) .
C7 C8 1.568(3) .
C8 C10 1.516(4) .
C8 C11 1.541(3) .
C8 C9 1.545(4) .
C13 C14 1.531(3) .
C14 C15 1.539(4) .
C15 C16 1.530(5) .
C15 C18 1.533(6) .
C15 C17 1.544(6) .
C19 C23 1.511(15) .
C19 C20 1.581(16) .
C19 C24 1.586(14) .
C20 C21 1.521(17) .
C20 C22 1.66(2) .
C25 C28 1.46(2) .
C25 C27 1.52(2) .
C25 C26 1.53(2) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N1 Si1 Mg1 O1 -120.43(12) . .
C3 Si1 Mg1 O1 162.53(14) . .
C2 Si1 Mg1 O1 61.72(9) . .
C1 Si1 Mg1 O1 -37.73(14) . .
N1 Si1 Mg1 O1 145.65(12) . 2_657
C3 Si1 Mg1 O1 68.61(14) . 2_657
C2 Si1 Mg1 O1 -32.20(9) . 2_657
C1 Si1 Mg1 O1 -131.65(13) . 2_657
C3 Si1 Mg1 N1 -77.04(17) . .
C2 Si1 Mg1 N1 -177.85(14) . .
C1 Si1 Mg1 N1 82.70(17) . .
N1 Si1 Mg1 O2 43.97(12) . 2_657
C3 Si1 Mg1 O2 -33.07(15) . 2_657
C2 Si1 Mg1 O2 -133.88(10) . 2_657
C1 Si1 Mg1 O2 126.67(14) . 2_657
N1 Si1 Mg1 Mg1 -169.75(11) . 2_657
C3 Si1 Mg1 Mg1 113.21(14) . 2_657
C2 Si1 Mg1 Mg1 12.40(9) . 2_657
C1 Si1 Mg1 Mg1 -87.04(13) . 2_657
N1 Si1 Mg1 Si2 4.52(10) . .
C3 Si1 Mg1 Si2 -72.52(13) . .
C2 Si1 Mg1 Si2 -173.33(8) . .
C1 Si1 Mg1 Si2 87.23(13) . .
N1 Si2 Mg1 O1 91.19(13) . .
C6 Si2 Mg1 O1 -55.85(12) . .
C5 Si2 Mg1 O1 53.2(2) . .
C4 Si2 Mg1 O1 -160.72(14) . .
N1 Si2 Mg1 O1 -78.96(13) . 2_657
C6 Si2 Mg1 O1 134.00(12) . 2_657
C5 Si2 Mg1 O1 -116.9(2) . 2_657
C4 Si2 Mg1 O1 29.13(15) . 2_657
C6 Si2 Mg1 N1 -147.04(15) . .
C5 Si2 Mg1 N1 -38.0(3) . .
C4 Si2 Mg1 N1 108.09(17) . .
N1 Si2 Mg1 O2 -155.70(12) . 2_657
C6 Si2 Mg1 O2 57.26(11) . 2_657
C5 Si2 Mg1 O2 166.3(2) . 2_657
C4 Si2 Mg1 O2 -47.61(13) . 2_657
N1 Si2 Mg1 Mg1 48.5(4) . 2_657
C6 Si2 Mg1 Mg1 -98.6(4) . 2_657
C5 Si2 Mg1 Mg1 10.5(4) . 2_657
C4 Si2 Mg1 Mg1 156.6(4) . 2_657
N1 Si2 Mg1 Si1 -4.61(11) . .
C6 Si2 Mg1 Si1 -151.65(10) . .
C5 Si2 Mg1 Si1 -42.6(2) . .
C4 Si2 Mg1 Si1 103.48(13) . .
O1 Mg1 O1 C7 148.7(2) 2_657 .
N1 Mg1 O1 C7 10.5(2) . .
O2 Mg1 O1 C7 -126.0(2) 2_657 .
Mg1 Mg1 O1 C7 148.7(2) 2_657 .
Si1 Mg1 O1 C7 41.4(2) . .
Si2 Mg1 O1 C7 -25.2(2) . .
O1 Mg1 O1 C19 138.9(5) 2_657 .
N1 Mg1 O1 C19 0.7(5) . .
O2 Mg1 O1 C19 -135.8(5) 2_657 .
Mg1 Mg1 O1 C19 138.9(5) 2_657 .
Si1 Mg1 O1 C19 31.6(5) . .
Si2 Mg1 O1 C19 -35.0(5) . .
O1 Mg1 O1 Mg1 0.0 2_657 2_657
N1 Mg1 O1 Mg1 -138.18(8) . 2_657
O2 Mg1 O1 Mg1 85.33(7) 2_657 2_657
Si1 Mg1 O1 Mg1 -107.30(5) . 2_657
Si2 Mg1 O1 Mg1 -173.88(5) . 2_657
C3 Si1 N1 Si2 -49.92(17) . .
C2 Si1 N1 Si2 -169.40(12) . .
C1 Si1 N1 Si2 72.70(18) . .
Mg1 Si1 N1 Si2 -171.66(19) . .
C3 Si1 N1 Mg1 121.74(14) . .
C2 Si1 N1 Mg1 2.26(14) . .
C1 Si1 N1 Mg1 -115.64(16) . .
C6 Si2 N1 Si1 -152.81(13) . .
C5 Si2 N1 Si1 -32.4(2) . .
C4 Si2 N1 Si1 88.63(17) . .
Mg1 Si2 N1 Si1 171.5(2) . .
C6 Si2 N1 Mg1 35.66(15) . .
C5 Si2 N1 Mg1 156.02(18) . .
C4 Si2 N1 Mg1 -82.90(16) . .
O1 Mg1 N1 Si1 76.04(13) . .
O1 Mg1 N1 Si1 -44.32(14) 2_657 .
O2 Mg1 N1 Si1 -146.41(9) 2_657 .
Mg1 Mg1 N1 Si1 16.79(19) 2_657 .
Si2 Mg1 N1 Si1 -171.94(19) . .
O1 Mg1 N1 Si2 -112.02(11) . .
O1 Mg1 N1 Si2 127.62(10) 2_657 .
O2 Mg1 N1 Si2 25.53(12) 2_657 .
Mg1 Mg1 N1 Si2 -171.27(7) 2_657 .
Si1 Mg1 N1 Si2 171.94(19) . .
C19 O1 C7 C13 -47.4(11) . .
Mg1 O1 C7 C13 -69.5(3) . .
Mg1 O1 C7 C13 75.3(2) 2_657 .
C19 O1 C7 C12 -165.0(12) . .
Mg1 O1 C7 C12 172.95(15) . .
Mg1 O1 C7 C12 -42.3(2) 2_657 .
C19 O1 C7 C8 73.5(12) . .
Mg1 O1 C7 C8 51.4(3) . .
Mg1 O1 C7 C8 -163.82(17) 2_657 .
O1 C7 C8 C10 46.9(4) . .
C13 C7 C8 C10 165.0(2) . .
C12 C7 C8 C10 -75.5(3) . .
O1 C7 C8 C11 168.1(2) . .
C13 C7 C8 C11 -73.8(3) . .
C12 C7 C8 C11 45.6(3) . .
O1 C7 C8 C9 -73.4(3) . .
C13 C7 C8 C9 44.7(3) . .
C12 C7 C8 C9 164.1(2) . .
O1 C7 C13 C14 -61.2(3) . .
C12 C7 C13 C14 58.1(2) . .
C8 C7 C13 C14 178.1(2) . .
Mg1 O2 C14 C13 -8.8(3) 2_657 .
Mg1 O2 C14 C15 -178.7(2) 2_657 .
C7 C13 C14 O2 28.4(3) . .
C7 C13 C14 C15 -161.5(3) . .
O2 C14 C15 C16 11.8(4) . .
C13 C14 C15 C16 -158.5(3) . .
O2 C14 C15 C18 135.3(3) . .
C13 C14 C15 C18 -35.0(4) . .
O2 C14 C15 C17 -106.9(3) . .
C13 C14 C15 C17 82.7(3) . .
C7 O1 C19 C23 -173.0(18) . .
Mg1 O1 C19 C23 -8.1(10) . .
Mg1 O1 C19 C23 117.4(7) 2_657 .
C7 O1 C19 C20 -48.6(10) . .
Mg1 O1 C19 C20 116.3(7) . .
Mg1 O1 C19 C20 -118.2(6) 2_657 .
C7 O1 C19 C24 63.2(11) . .
Mg1 O1 C19 C24 -131.9(6) . .
Mg1 O1 C19 C24 -6.4(10) 2_657 .
C23 C19 C20 C21 -172.6(9) . .
O1 C19 C20 C21 61.2(10) . .
C24 C19 C20 C21 -51.5(12) . .
C23 C19 C20 C22 65.3(12) . .
O1 C19 C20 C22 -61.0(11) . .
C24 C19 C20 C22 -173.6(9) . .
