#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:20:00 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179719 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/21/7002117.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7002117
loop_
_publ_author_name
'Arnold, Polly L.'
'Casely, Ian J.'
'Turner, Zoë R.'
'Bellabarba, Ronan'
'Tooze, Robert B.'
_publ_section_title
;
 Magnesium and zinc complexes of functionalised, saturated
 N-heterocyclic carbene ligands: carbene lability and
 functionalisation, and lactide polymerisation catalysis
;
_journal_issue                   35
_journal_name_full               'Dalton Transactions'
_journal_page_first              7236
_journal_paper_doi               10.1039/b907034f
_journal_year                    2009
_chemical_formula_moiety         'C32 H74 Mg2 N6 O2 Si4, C6 H6'
_chemical_formula_sum            'C38 H80 Mg2 N6 O2 Si4'
_chemical_formula_weight         814.06
_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                111.934(3)
_cell_angle_beta                 103.197(3)
_cell_angle_gamma                96.862(3)
_cell_formula_units_Z            1
_cell_length_a                   10.0920(18)
_cell_length_b                   11.541(2)
_cell_length_c                   11.960(3)
_cell_measurement_reflns_used    4308
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      28.2689
_cell_measurement_theta_min      1.9531
_cell_volume                     1225.3(4)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'ORTEP (Farrugia, 1997)'
_computing_publication_material  'enCIFer (Allen et al., 2004)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-92 (Giacovazzo, 1994)'
_diffrn_ambient_temperature      93(2)
_diffrn_measured_fraction_theta_full 'ACTA 50'
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'AFC7/Mercury CCD detector'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_source         'Rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0321
_diffrn_reflns_av_sigmaI/netI    0.0578
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7882
_diffrn_reflns_theta_full        'ACTA 50'
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    0.183
_exptl_absorpt_correction_T_max  0.98
_exptl_absorpt_correction_T_min  0.8928
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.103
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             446
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.253
_refine_diff_density_min         -0.325
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         4343
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0514
_refine_ls_R_factor_gt           0.0432
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0507P)²+0.0423P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1014
_refine_ls_wR_factor_ref         0.1082
_reflns_number_gt                3675
_reflns_number_total             4343
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b907034f.txt
_cod_data_source_block           paed4
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               7002117
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.54934(18) 0.78563(16) 0.28532(17) 0.0203(4) Uani 1 1 d . . .
C2 C 0.4547(2) 0.76673(18) 0.06679(18) 0.0290(5) Uani 1 1 d . . .
H2 H 0.3856 0.8120 0.1026 0.035 Uiso 1 1 calc R . .
C3 C 0.3769(2) 0.63077(19) -0.02838(19) 0.0344(5) Uani 1 1 d . . .
H3A H 0.4417 0.5860 -0.0682 0.052 Uiso 1 1 calc R . .
H3B H 0.3005 0.6349 -0.0932 0.052 Uiso 1 1 calc R . .
H3C H 0.3387 0.5843 0.0152 0.052 Uiso 1 1 calc R . .
C4 C 0.5161(3) 0.8392(2) -0.0001(2) 0.0446(6) Uani 1 1 d . . .
H4A H 0.5683 0.9254 0.0617 0.067 Uiso 1 1 calc R . .
H4B H 0.4404 0.8459 -0.0636 0.067 Uiso 1 1 calc R . .
H4C H 0.5791 0.7929 -0.0413 0.067 Uiso 1 1 calc R . .
C5 C 0.6958(2) 0.7326(2) 0.15560(19) 0.0311(5) Uani 1 1 d . . .
H5A H 0.7557 0.8022 0.1482 0.037 Uiso 1 1 calc R . .
H5B H 0.6806 0.6516 0.0805 0.037 Uiso 1 1 calc R . .
C6 C 0.7594(2) 0.7186(2) 0.27628(19) 0.0333(5) Uani 1 1 d . . .
H6A H 0.7603 0.6280 0.2597 0.040 Uiso 1 1 calc R . .
H6B H 0.8558 0.7716 0.3193 0.040 Uiso 1 1 calc R . .
C7 C 0.68378(19) 0.76787(16) 0.47647(17) 0.0218(4) Uani 1 1 d . . .
H7A H 0.7619 0.7271 0.4951 0.026 Uiso 1 1 calc R . .
H7B H 0.5982 0.7159 0.4764 0.026 Uiso 1 1 calc R . .
C8 C 0.71446(17) 0.90281(17) 0.58197(17) 0.0221(4) Uani 1 1 d . . .
C9 C 0.84968(18) 0.98549(18) 0.5904(2) 0.0291(5) Uani 1 1 d . . .
H9A H 0.8425 0.9896 0.5089 0.044 Uiso 1 1 calc R . .
H9B H 0.9283 0.9477 0.6120 0.044 Uiso 1 1 calc R . .
H9C H 0.8649 1.0722 0.6558 0.044 Uiso 1 1 calc R . .
C10 C 0.7269(2) 0.8875(2) 0.70507(19) 0.0329(5) Uani 1 1 d . . .
H10A H 0.7411 0.9717 0.7741 0.049 Uiso 1 1 calc R . .
H10B H 0.8065 0.8495 0.7231 0.049 Uiso 1 1 calc R . .
H10C H 0.6410 0.8314 0.6970 0.049 Uiso 1 1 calc R . .
C11 C 0.3331(2) 0.88986(19) 0.67982(18) 0.0307(5) Uani 1 1 d . . .
H11A H 0.4331 0.9110 0.6889 0.046 Uiso 1 1 calc R . .
H11B H 0.3207 0.8886 0.7583 0.046 Uiso 1 1 calc R . .
H11C H 0.2888 0.9545 0.6617 0.046 Uiso 1 1 calc R . .
C12 C 0.3208(2) 0.6057(2) 0.5958(2) 0.0390(5) Uani 1 1 d . . .
H12A H 0.2786 0.5200 0.5280 0.059 Uiso 1 1 calc R . .
H12B H 0.2979 0.6101 0.6724 0.059 Uiso 1 1 calc R . .
H12C H 0.4225 0.6229 0.6125 0.059 Uiso 1 1 calc R . .
C13 C 0.0619(2) 0.7061(2) 0.5439(2) 0.0329(5) Uani 1 1 d . . .
H13A H 0.0175 0.7606 0.5082 0.049 Uiso 1 1 calc R . .
H13B H 0.0560 0.7300 0.6301 0.049 Uiso 1 1 calc R . .
H13C H 0.0138 0.6161 0.4920 0.049 Uiso 1 1 calc R . .
C14 C 0.3233(2) 0.49386(18) 0.2145(2) 0.0316(5) Uani 1 1 d . . .
H14A H 0.4061 0.5461 0.2128 0.047 Uiso 1 1 calc R . .
H14B H 0.2758 0.4268 0.1297 0.047 Uiso 1 1 calc R . .
H14C H 0.3515 0.4541 0.2729 0.047 Uiso 1 1 calc R . .
C15 C 0.0468(2) 0.48116(18) 0.25708(19) 0.0342(5) Uani 1 1 d . . .
H15A H 0.0756 0.4428 0.3167 0.051 Uiso 1 1 calc R . .
H15B H 0.0111 0.4135 0.1711 0.051 Uiso 1 1 calc R . .
H15C H -0.0268 0.5261 0.2776 0.051 Uiso 1 1 calc R . .
C16 C 0.1294(2) 0.65945(19) 0.14699(18) 0.0315(5) Uani 1 1 d . . .
H16A H 0.0461 0.6908 0.1616 0.047 Uiso 1 1 calc R . .
H16B H 0.1044 0.5898 0.0624 0.047 Uiso 1 1 calc R . .
H16C H 0.2002 0.7296 0.1537 0.047 Uiso 1 1 calc R . .
C100 C 0.9072(2) 0.9922(2) 0.0658(2) 0.0431(6) Uani 1 1 d . . .
H100 H 0.8434 0.9868 0.1120 0.052 Uiso 1 1 calc R . .
C101 C 0.9609(2) 0.8882(2) 0.0121(2) 0.0421(6) Uani 1 1 d . . .
H101 H 0.9331 0.8108 0.0201 0.051 Uiso 1 1 calc R . .
C102 C 0.9455(2) 1.1042(2) 0.0531(2) 0.0404(5) Uani 1 1 d . . .
H102 H 0.9072 1.1757 0.0893 0.048 Uiso 1 1 calc R . .
N1 N 0.66465(15) 0.76545(14) 0.35052(14) 0.0218(3) Uani 1 1 d . . .
N2 N 0.56199(15) 0.76449(14) 0.17099(14) 0.0241(4) Uani 1 1 d . . .
N3 N 0.27827(14) 0.72362(13) 0.41103(14) 0.0200(3) Uani 1 1 d . . .
O1 O 0.60058(11) 0.95978(11) 0.55615(11) 0.0196(3) Uani 1 1 d . . .
Mg1 Mg 0.42212(6) 0.86670(5) 0.41702(5) 0.01822(16) Uani 1 1 d . . .
Si1 Si 0.25064(5) 0.72845(5) 0.54709(5) 0.02077(15) Uani 1 1 d . . .
Si2 Si 0.20118(5) 0.59831(5) 0.26827(5) 0.02162(15) Uani 1 1 d . . .
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'
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
N2 C1 N1 107.22(15) . . ?
N2 C1 Mg1 143.35(14) . . ?
N1 C1 Mg1 108.73(12) . . ?
N2 C2 C4 111.84(16) . . ?
N2 C2 C3 111.05(16) . . ?
C4 C2 C3 109.79(16) . . ?
N2 C2 H2 108.0 . . ?
C4 C2 H2 108.0 . . ?
C3 C2 H2 108.0 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N2 C5 C6 102.51(15) . . ?
N2 C5 H5A 111.3 . . ?
C6 C5 H5A 111.3 . . ?
N2 C5 H5B 111.3 . . ?
C6 C5 H5B 111.3 . . ?
H5A C5 H5B 109.2 . . ?
N1 C6 C5 102.15(16) . . ?
N1 C6 H6A 111.3 . . ?
C5 C6 H6A 111.3 . . ?
N1 C6 H6B 111.3 . . ?
C5 C6 H6B 111.3 . . ?
H6A C6 H6B 109.2 . . ?
N1 C7 C8 114.07(14) . . ?
N1 C7 H7A 108.7 . . ?
C8 C7 H7A 108.7 . . ?
N1 C7 H7B 108.7 . . ?
C8 C7 H7B 108.7 . . ?
H7A C7 H7B 107.6 . . ?
O1 C8 C10 109.83(15) . . ?
O1 C8 C9 109.93(14) . . ?
C10 C8 C9 110.41(15) . . ?
O1 C8 C7 108.48(14) . . ?
C10 C8 C7 107.17(15) . . ?
C9 C8 C7 110.95(15) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si1 C11 H11A 109.5 . . ?
Si1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si1 C12 H12A 109.5 . . ?
Si1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si2 C14 H14A 109.5 . . ?
Si2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si2 C15 H15A 109.5 . . ?
Si2 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si2 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si2 C16 H16A 109.5 . . ?
Si2 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si2 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C101 C100 C102 120.4(2) . . ?
C101 C100 H100 119.8 . . ?
C102 C100 H100 119.8 . . ?
C102 C101 C100 120.2(2) 2_775 . ?
C102 C101 H101 119.9 2_775 . ?
C100 C101 H101 119.9 . . ?
C101 C102 C100 119.5(2) 2_775 . ?
C101 C102 H102 120.3 2_775 . ?
C100 C102 H102 120.3 . . ?
C1 N1 C7 123.44(14) . . ?
C1 N1 C6 113.80(15) . . ?
C7 N1 C6 121.95(15) . . ?
C1 N2 C2 125.18(16) . . ?
C1 N2 C5 113.36(15) . . ?
C2 N2 C5 121.41(15) . . ?
Si1 N3 Si2 123.49(8) . . ?
Si1 N3 Mg1 119.40(8) . . ?
Si2 N3 Mg1 116.93(8) . . ?
C8 O1 Mg1 135.83(10) . 2_676 ?
C8 O1 Mg1 124.09(10) . . ?
Mg1 O1 Mg1 96.64(5) 2_676 . ?
O1 Mg1 O1 83.36(5) 2_676 . ?
O1 Mg1 N3 126.06(6) 2_676 . ?
O1 Mg1 N3 124.97(6) . . ?
O1 Mg1 C1 115.31(6) 2_676 . ?
O1 Mg1 C1 88.78(6) . . ?
N3 Mg1 C1 110.54(6) . . ?
O1 Mg1 Mg1 42.24(4) 2_676 2_676 ?
O1 Mg1 Mg1 41.12(4) . 2_676 ?
N3 Mg1 Mg1 141.04(6) . 2_676 ?
C1 Mg1 Mg1 105.59(5) . 2_676 ?
N3 Si1 C11 111.03(8) . . ?
N3 Si1 C12 113.03(9) . . ?
C11 Si1 C12 107.83(10) . . ?
N3 Si1 C13 114.51(9) . . ?
C11 Si1 C13 103.12(9) . . ?
C12 Si1 C13 106.64(10) . . ?
N3 Si2 C14 112.74(8) . . ?
N3 Si2 C16 109.87(8) . . ?
C14 Si2 C16 109.89(10) . . ?
N3 Si2 C15 116.66(8) . . ?
C14 Si2 C15 103.19(9) . . ?
C16 Si2 C15 103.94(9) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N2 1.335(2) . ?
C1 N1 1.343(2) . ?
C1 Mg1 2.2615(18) . ?
C2 N2 1.463(2) . ?
C2 C4 1.525(3) . ?
C2 C3 1.529(3) . ?
C2 H2 1.0000 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 N2 1.475(2) . ?
C5 C6 1.516(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 N1 1.466(2) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 N1 1.464(2) . ?
C7 C8 1.533(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 O1 1.421(2) . ?
C8 C10 1.526(3) . ?
C8 C9 1.529(3) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 Si1 1.871(2) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 Si1 1.875(2) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 Si1 1.8816(19) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 Si2 1.877(2) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 Si2 1.8814(19) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 Si2 1.880(2) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C100 C101 1.373(3) . ?
C100 C102 1.378(3) . ?
C100 H100 0.9500 . ?
C101 C102 1.370(3) 2_775 ?
C101 H101 0.9500 . ?
C102 C101 1.370(3) 2_775 ?
C102 H102 0.9500 . ?
N3 Si1 1.6948(15) . ?
N3 Si2 1.7005(15) . ?
N3 Mg1 2.0324(15) . ?
O1 Mg1 1.9566(13) 2_676 ?
O1 Mg1 2.0001(13) . ?
Mg1 O1 1.9566(13) 2_676 ?
Mg1 Mg1 2.9553(12) 2_676 ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 C5 C6 N1 -9.14(19) . . . . ?
N1 C7 C8 O1 59.76(19) . . . . ?
N1 C7 C8 C10 178.30(14) . . . . ?
N1 C7 C8 C9 -61.1(2) . . . . ?
C102 C100 C101 C102 0.9(4) . . . 2_775 ?
C101 C100 C102 C101 -0.9(4) . . . 2_775 ?
N2 C1 N1 C7 -174.27(14) . . . . ?
Mg1 C1 N1 C7 13.01(18) . . . . ?
N2 C1 N1 C6 -4.4(2) . . . . ?
Mg1 C1 N1 C6 -177.15(12) . . . . ?
C8 C7 N1 C1 -74.3(2) . . . . ?
C8 C7 N1 C6 116.63(17) . . . . ?
C5 C6 N1 C1 8.9(2) . . . . ?
C5 C6 N1 C7 178.93(15) . . . . ?
N1 C1 N2 C2 175.31(15) . . . . ?
Mg1 C1 N2 C2 -16.3(3) . . . . ?
N1 C1 N2 C5 -2.4(2) . . . . ?
Mg1 C1 N2 C5 165.98(16) . . . . ?
C4 C2 N2 C1 135.85(18) . . . . ?
C3 C2 N2 C1 -101.1(2) . . . . ?
C4 C2 N2 C5 -46.6(2) . . . . ?
C3 C2 N2 C5 76.4(2) . . . . ?
C6 C5 N2 C1 7.7(2) . . . . ?
C6 C5 N2 C2 -170.13(15) . . . . ?
C10 C8 O1 Mg1 96.76(17) . . . 2_676 ?
C9 C8 O1 Mg1 -24.9(2) . . . 2_676 ?
C7 C8 O1 Mg1 -146.40(12) . . . 2_676 ?
C10 C8 O1 Mg1 -109.49(14) . . . . ?
C9 C8 O1 Mg1 128.83(13) . . . . ?
C7 C8 O1 Mg1 7.35(18) . . . . ?
C8 O1 Mg1 O1 -161.93(15) . . . 2_676 ?
Mg1 O1 Mg1 O1 0.0 2_676 . . 2_676 ?
C8 O1 Mg1 N3 68.15(14) . . . . ?
Mg1 O1 Mg1 N3 -129.92(7) 2_676 . . . ?
C8 O1 Mg1 C1 -46.27(13) . . . . ?
Mg1 O1 Mg1 C1 115.66(6) 2_676 . . . ?
C8 O1 Mg1 Mg1 -161.93(15) . . . 2_676 ?
Si1 N3 Mg1 O1 -74.97(11) . . . 2_676 ?
Si2 N3 Mg1 O1 109.84(9) . . . 2_676 ?
Si1 N3 Mg1 O1 34.59(12) . . . . ?
Si2 N3 Mg1 O1 -140.61(8) . . . . ?
Si1 N3 Mg1 C1 138.14(9) . . . . ?
Si2 N3 Mg1 C1 -37.05(11) . . . . ?
Si1 N3 Mg1 Mg1 -18.74(14) . . . 2_676 ?
Si2 N3 Mg1 Mg1 166.06(6) . . . 2_676 ?
N2 C1 Mg1 O1 -51.7(2) . . . 2_676 ?
N1 C1 Mg1 O1 116.59(11) . . . 2_676 ?
N2 C1 Mg1 O1 -133.8(2) . . . . ?
N1 C1 Mg1 O1 34.52(11) . . . . ?
N2 C1 Mg1 N3 99.1(2) . . . . ?
N1 C1 Mg1 N3 -92.65(12) . . . . ?
N2 C1 Mg1 Mg1 -95.8(2) . . . 2_676 ?
N1 C1 Mg1 Mg1 72.50(11) . . . 2_676 ?
Si2 N3 Si1 C11 -172.09(10) . . . . ?
Mg1 N3 Si1 C11 13.05(12) . . . . ?
Si2 N3 Si1 C12 66.59(13) . . . . ?
Mg1 N3 Si1 C12 -108.27(11) . . . . ?
Si2 N3 Si1 C13 -55.81(13) . . . . ?
Mg1 N3 Si1 C13 129.32(10) . . . . ?
Si1 N3 Si2 C14 -103.72(12) . . . . ?
Mg1 N3 Si2 C14 71.26(11) . . . . ?
Si1 N3 Si2 C16 133.34(11) . . . . ?
Mg1 N3 Si2 C16 -51.68(11) . . . . ?
Si1 N3 Si2 C15 15.44(14) . . . . ?
Mg1 N3 Si2 C15 -169.58(9) . . . . ?
