#------------------------------------------------------------------------------
#$Date: 2022-09-08 01:01:21 +0300 (Thu, 08 Sep 2022) $
#$Revision: 277714 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/06/7130689.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_7130689
loop_
_publ_author_name
'Okokhere-Edeghoghon, Bibian'
'Hill, Michael S.'
'Mahon, Mary F.'
'McMullin, Claire L.'
_publ_section_title
;
 Diverse reactivity of a magnesium silanide toward ketones
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC03966D
_journal_year                    2022
_chemical_formula_moiety         'C50 H62 Mg N2 O Si'
_chemical_formula_sum            'C50 H62 Mg N2 O Si'
_chemical_formula_weight         759.41
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2020-11-30
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2022-04-18 deposited with the CCDC.	2022-08-30 downloaded from the CCDC.
;
_cell_angle_alpha                95.428(3)
_cell_angle_beta                 92.237(3)
_cell_angle_gamma                100.071(3)
_cell_formula_units_Z            2
_cell_length_a                   9.8330(3)
_cell_length_b                   10.8375(4)
_cell_length_c                   21.3220(8)
_cell_measurement_reflns_used    9280
_cell_measurement_temperature    150.01(10)
_cell_measurement_theta_max      72.9620
_cell_measurement_theta_min      4.1560
_cell_volume                     2223.56(14)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1150
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0515
_diffrn_reflns_av_unetI/netI     0.0559
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            27279
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.238
_diffrn_reflns_theta_min         4.165
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    0.878
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.65348
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.134
_exptl_crystal_description       block
_exptl_crystal_F_000             820
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.049
_exptl_crystal_size_min          0.015
_refine_diff_density_max         0.432
_refine_diff_density_min         -0.242
_refine_diff_density_rms         0.043
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     508
_refine_ls_number_reflns         8885
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0590
_refine_ls_R_factor_gt           0.0443
_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)+(0.0492P)²+0.3992P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1054
_refine_ls_wR_factor_ref         0.1124
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7110
_reflns_number_total             8885
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc03966d2.cif
_cod_data_source_block           s20msh55-cpd3
_cod_database_code               7130689
_shelxl_version_number           2014-3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C12(H12), C15(H15), C24(H24), C27(H27)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C8(H8), C9(H9), C10(H10), C20(H20), C21(H21), C22(H22), C32(H32),
 C33(H33), C34(H34), C35(H35), C36(H36), C38(H38), C39(H39), C40(H40), C41(H41),
  C42(H42), C46(H46), C47(H47), C48(H48), C49(H49), C50(H50)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C5(H5A,H5B,H5C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C),
 C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C25(H25A,H25B,H25C), C26(H26A,H26B,
 H26C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C43(H43A,H43B,H43C), C44(H44A,
 H44B,H44C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.85587(4) 0.23250(4) 0.75903(2) 0.02408(10) Uani 1 1 d . . . . .
Mg1 Mg 0.65815(5) 0.36013(5) 0.73248(2) 0.01931(11) Uani 1 1 d . . . . .
O1 O 0.50566(12) 0.34018(12) 0.79517(6) 0.0288(3) Uani 1 1 d . . . . .
N1 N 0.54539(14) 0.30825(12) 0.64760(6) 0.0213(3) Uani 1 1 d . . . . .
N2 N 0.67651(14) 0.54868(12) 0.72100(6) 0.0220(3) Uani 1 1 d . . . . .
C1 C 0.3564(2) 0.33525(18) 0.57274(9) 0.0333(4) Uani 1 1 d . . . . .
H1A H 0.3754 0.2584 0.5516 0.050 Uiso 1 1 calc GR . . . .
H1B H 0.3608 0.3978 0.5435 0.050 Uiso 1 1 calc GR . . . .
H1C H 0.2657 0.3203 0.5887 0.050 Uiso 1 1 calc GR . . . .
C2 C 0.46285(16) 0.38152(16) 0.62705(8) 0.0238(3) Uani 1 1 d . . . . .
C3 C 0.46751(17) 0.50787(16) 0.65264(8) 0.0255(3) Uani 1 1 d . . . . .
H3 H 0.3916 0.5434 0.6416 0.031 Uiso 1 1 calc R . . . .
C4 C 0.57087(17) 0.58692(15) 0.69241(8) 0.0238(3) Uani 1 1 d . . . . .
C5 C 0.5552(2) 0.72432(16) 0.70303(9) 0.0327(4) Uani 1 1 d . . . . .
H5A H 0.5413 0.7455 0.7468 0.049 Uiso 1 1 calc GR . . . .
H5B H 0.4770 0.7373 0.6777 0.049 Uiso 1 1 calc GR . . . .
H5C H 0.6373 0.7769 0.6913 0.049 Uiso 1 1 calc GR . . . .
C6 C 0.78985(16) 0.64192(14) 0.74861(8) 0.0234(3) Uani 1 1 d . . . . .
C7 C 0.89997(18) 0.68388(16) 0.71094(9) 0.0290(3) Uani 1 1 d . . . . .
C8 C 1.01008(19) 0.77489(17) 0.73756(10) 0.0330(4) Uani 1 1 d . . . . .
H8 H 1.0820 0.8042 0.7127 0.040 Uiso 1 1 calc R . . . .
C9 C 1.01448(18) 0.82235(17) 0.80014(10) 0.0328(4) Uani 1 1 d . . . . .
H9 H 1.0885 0.8834 0.8171 0.039 Uiso 1 1 calc R . . . .
C10 C 0.90813(18) 0.77850(16) 0.83741(9) 0.0297(4) Uani 1 1 d . . . . .
H10 H 0.9123 0.8098 0.8797 0.036 Uiso 1 1 calc R . . . .
C11 C 0.79454(17) 0.68822(15) 0.81284(8) 0.0242(3) Uani 1 1 d . . . . .
C12 C 0.67978(18) 0.64267(16) 0.85505(8) 0.0268(3) Uani 1 1 d . . . . .
H12 H 0.6016 0.5957 0.8278 0.032 Uiso 1 1 calc R . . . .
C13 C 0.6286(2) 0.7507(2) 0.89282(12) 0.0476(5) Uani 1 1 d . . . . .
H13A H 0.7002 0.7933 0.9232 0.071 Uiso 1 1 calc GR . . . .
H13B H 0.5483 0.7177 0.9143 0.071 Uiso 1 1 calc GR . . . .
H13C H 0.6053 0.8089 0.8647 0.071 Uiso 1 1 calc GR . . . .
C14 C 0.7252(2) 0.5516(2) 0.89899(9) 0.0386(4) Uani 1 1 d . . . . .
H14A H 0.7538 0.4829 0.8743 0.058 Uiso 1 1 calc GR . . . .
H14B H 0.6493 0.5196 0.9233 0.058 Uiso 1 1 calc GR . . . .
H14C H 0.8011 0.5953 0.9268 0.058 Uiso 1 1 calc GR . . . .
C15 C 0.8982(2) 0.6344(2) 0.64166(10) 0.0402(4) Uani 1 1 d . . . . .
H15 H 0.8282 0.5574 0.6345 0.048 Uiso 1 1 calc R . . . .
C16 C 1.0370(3) 0.6004(3) 0.62380(12) 0.0559(6) Uani 1 1 d . . . . .
H16A H 1.1065 0.6753 0.6279 0.084 Uiso 1 1 calc GR . . . .
H16B H 1.0292 0.5625 0.5810 0.084 Uiso 1 1 calc GR . . . .
H16C H 1.0624 0.5420 0.6513 0.084 Uiso 1 1 calc GR . . . .
C17 C 0.8574(3) 0.7290(3) 0.59867(11) 0.0565(6) Uani 1 1 d . . . . .
H17A H 0.7658 0.7430 0.6071 0.085 Uiso 1 1 calc GR . . . .
H17B H 0.8593 0.6961 0.5554 0.085 Uiso 1 1 calc GR . . . .
H17C H 0.9215 0.8072 0.6066 0.085 Uiso 1 1 calc GR . . . .
C18 C 0.54696(17) 0.18480(15) 0.61628(7) 0.0226(3) Uani 1 1 d . . . . .
C19 C 0.65994(17) 0.16840(17) 0.57931(8) 0.0262(3) Uani 1 1 d . . . . .
C20 C 0.66833(19) 0.04638(18) 0.55409(8) 0.0312(4) Uani 1 1 d . . . . .
H20 H 0.7417 0.0339 0.5295 0.037 Uiso 1 1 calc R . . . .
C21 C 0.5703(2) -0.05597(17) 0.56479(8) 0.0329(4) Uani 1 1 d . . . . .
H21 H 0.5784 -0.1365 0.5479 0.039 Uiso 1 1 calc R . . . .
C22 C 0.46041(19) -0.03848(16) 0.60065(8) 0.0292(3) Uani 1 1 d . . . . .
H22 H 0.3942 -0.1078 0.6073 0.035 Uiso 1 1 calc R . . . .
C23 C 0.44635(17) 0.08120(16) 0.62723(8) 0.0249(3) Uani 1 1 d . . . . .
C24 C 0.32567(19) 0.09256(16) 0.66819(9) 0.0306(4) Uani 1 1 d . . . . .
H24 H 0.3272 0.1823 0.6805 0.037 Uiso 1 1 calc R . . . .
C25 C 0.1862(2) 0.0374(2) 0.63252(11) 0.0417(4) Uani 1 1 d . . . . .
H25A H 0.1772 0.0799 0.5955 0.063 Uiso 1 1 calc GR . . . .
H25B H 0.1123 0.0488 0.6594 0.063 Uiso 1 1 calc GR . . . .
H25C H 0.1820 -0.0508 0.6205 0.063 Uiso 1 1 calc GR . . . .
C26 C 0.3408(2) 0.0284(2) 0.72835(10) 0.0414(4) Uani 1 1 d . . . . .
H26A H 0.3378 -0.0600 0.7175 0.062 Uiso 1 1 calc GR . . . .
H26B H 0.2666 0.0404 0.7549 0.062 Uiso 1 1 calc GR . . . .
H26C H 0.4276 0.0648 0.7505 0.062 Uiso 1 1 calc GR . . . .
C27 C 0.76879(19) 0.28031(18) 0.56795(8) 0.0320(4) Uani 1 1 d . . . . .
H27 H 0.7880 0.3346 0.6079 0.038 Uiso 1 1 calc R . . . .
C28 C 0.9059(2) 0.2443(2) 0.54817(10) 0.0438(5) Uani 1 1 d . . . . .
H28A H 0.9349 0.1895 0.5768 0.066 Uiso 1 1 calc GR . . . .
H28B H 0.9750 0.3191 0.5491 0.066 Uiso 1 1 calc GR . . . .
H28C H 0.8937 0.2018 0.5062 0.066 Uiso 1 1 calc GR . . . .
C29 C 0.7160(2) 0.3588(2) 0.51901(10) 0.0417(4) Uani 1 1 d . . . . .
H29A H 0.6915 0.3070 0.4797 0.063 Uiso 1 1 calc GR . . . .
H29B H 0.7873 0.4285 0.5128 0.063 Uiso 1 1 calc GR . . . .
H29C H 0.6361 0.3897 0.5339 0.063 Uiso 1 1 calc GR . . . .
C30 C 0.42729(16) 0.33438(16) 0.83898(8) 0.0245(3) Uani 1 1 d . . . . .
C31 C 0.35441(17) 0.43996(16) 0.85622(8) 0.0259(3) Uani 1 1 d . . . . .
C32 C 0.32113(18) 0.51389(18) 0.80950(9) 0.0312(4) Uani 1 1 d . . . . .
H32 H 0.3423 0.4950 0.7680 0.037 Uiso 1 1 calc R . . . .
C33 C 0.2565(2) 0.61529(19) 0.82540(11) 0.0393(4) Uani 1 1 d . . . . .
H33 H 0.2323 0.6634 0.7943 0.047 Uiso 1 1 calc R . . . .
C34 C 0.2278(2) 0.64518(19) 0.88762(11) 0.0400(4) Uani 1 1 d . . . . .
H34 H 0.1845 0.7135 0.8980 0.048 Uiso 1 1 calc R . . . .
C35 C 0.2631(2) 0.57422(18) 0.93452(10) 0.0360(4) Uani 1 1 d . . . . .
H35 H 0.2458 0.5963 0.9763 0.043 Uiso 1 1 calc R . . . .
C36 C 0.32431(18) 0.46987(17) 0.91889(9) 0.0295(3) Uani 1 1 d . . . . .
H36 H 0.3452 0.4202 0.9499 0.035 Uiso 1 1 calc R . . . .
C37 C 0.40757(17) 0.22248(16) 0.87456(8) 0.0249(3) Uani 1 1 d . . . . .
C38 C 0.27794(18) 0.17249(17) 0.89392(8) 0.0277(3) Uani 1 1 d . . . . .
H38 H 0.2037 0.2136 0.8879 0.033 Uiso 1 1 calc R . . . .
C39 C 0.2597(2) 0.06077(18) 0.92228(9) 0.0323(4) Uani 1 1 d . . . . .
H39 H 0.1724 0.0258 0.9342 0.039 Uiso 1 1 calc R . . . .
C40 C 0.3712(2) 0.00160(18) 0.93284(9) 0.0362(4) Uani 1 1 d . . . . .
H40 H 0.3590 -0.0728 0.9521 0.043 Uiso 1 1 calc R . . . .
C41 C 0.5011(2) 0.05326(19) 0.91476(10) 0.0357(4) Uani 1 1 d . . . . .
H41 H 0.5762 0.0144 0.9229 0.043 Uiso 1 1 calc R . . . .
C42 C 0.51986(19) 0.16213(17) 0.88472(9) 0.0301(4) Uani 1 1 d . . . . .
H42 H 0.6065 0.1949 0.8714 0.036 Uiso 1 1 calc R . . . .
C43 C 1.0326(2) 0.2974(2) 0.73102(10) 0.0406(4) Uani 1 1 d . . . . .
H43A H 1.0269 0.2965 0.6859 0.061 Uiso 1 1 calc GR . . . .
H43B H 1.0977 0.2463 0.7431 0.061 Uiso 1 1 calc GR . . . .
H43C H 1.0625 0.3823 0.7499 0.061 Uiso 1 1 calc GR . . . .
C44 C 0.8123(2) 0.06230(18) 0.72282(9) 0.0371(4) Uani 1 1 d . . . . .
H44A H 0.7248 0.0234 0.7367 0.056 Uiso 1 1 calc GR . . . .
H44B H 0.8829 0.0176 0.7358 0.056 Uiso 1 1 calc GR . . . .
H44C H 0.8072 0.0599 0.6776 0.056 Uiso 1 1 calc GR . . . .
C45 C 0.89586(16) 0.21907(16) 0.84650(8) 0.0245(3) Uani 1 1 d . . . . .
C46 C 0.95674(17) 0.32504(17) 0.88748(8) 0.0279(3) Uani 1 1 d . . . . .
H46 H 0.9799 0.4024 0.8715 0.033 Uiso 1 1 calc R . . . .
C47 C 0.98329(19) 0.31728(19) 0.95146(9) 0.0335(4) Uani 1 1 d . . . . .
H47 H 1.0233 0.3891 0.9776 0.040 Uiso 1 1 calc R . . . .
C48 C 0.95047(19) 0.2030(2) 0.97644(9) 0.0352(4) Uani 1 1 d . . . . .
H48 H 0.9680 0.1979 1.0192 0.042 Uiso 1 1 calc R . . . .
C49 C 0.8911(2) 0.09646(19) 0.93696(9) 0.0341(4) Uani 1 1 d . . . . .
H49 H 0.8689 0.0192 0.9532 0.041 Uiso 1 1 calc R . . . .
C50 C 0.86481(18) 0.10510(17) 0.87298(9) 0.0298(3) Uani 1 1 d . . . . .
H50 H 0.8254 0.0327 0.8471 0.036 Uiso 1 1 calc R . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Mg Mg 0.1719 0.1771 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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
C43 Si1 Mg1 115.18(7) . . ?
C43 Si1 C44 105.74(10) . . ?
C43 Si1 C45 102.50(8) . . ?
C44 Si1 Mg1 111.82(6) . . ?
C44 Si1 C45 103.77(8) . . ?
C45 Si1 Mg1 116.55(5) . . ?
O1 Mg1 Si1 112.02(4) . . ?
O1 Mg1 N1 101.47(6) . . ?
O1 Mg1 N2 100.74(5) . . ?
N1 Mg1 Si1 117.52(4) . . ?
N2 Mg1 Si1 128.47(5) . . ?
N2 Mg1 N1 92.06(6) . . ?
C30 O1 Mg1 171.59(12) . . ?
C2 N1 Mg1 119.87(11) . . ?
C2 N1 C18 121.72(14) . . ?
C18 N1 Mg1 117.97(10) . . ?
C4 N2 Mg1 118.05(11) . . ?
C4 N2 C6 118.50(13) . . ?
C6 N2 Mg1 123.04(10) . . ?
N1 C2 C1 121.43(15) . . ?
N1 C2 C3 123.48(15) . . ?
C3 C2 C1 115.09(14) . . ?
C4 C3 C2 129.02(14) . . ?
N2 C4 C3 124.54(15) . . ?
N2 C4 C5 119.72(15) . . ?
C3 C4 C5 115.72(14) . . ?
C7 C6 N2 118.86(15) . . ?
C11 C6 N2 120.98(15) . . ?
C11 C6 C7 120.13(16) . . ?
C6 C7 C15 121.20(16) . . ?
C8 C7 C6 119.01(17) . . ?
C8 C7 C15 119.77(17) . . ?
C9 C8 C7 121.25(18) . . ?
C8 C9 C10 119.59(17) . . ?
C9 C10 C11 121.42(17) . . ?
C6 C11 C12 121.50(15) . . ?
C10 C11 C6 118.55(16) . . ?
C10 C11 C12 119.95(16) . . ?
C11 C12 C13 112.72(16) . . ?
C11 C12 C14 110.76(14) . . ?
C13 C12 C14 110.73(17) . . ?
C7 C15 C16 112.03(19) . . ?
C7 C15 C17 111.36(18) . . ?
C16 C15 C17 109.98(19) . . ?
C19 C18 N1 118.14(15) . . ?
C23 C18 N1 120.76(14) . . ?
C23 C18 C19 120.80(15) . . ?
C18 C19 C27 120.64(15) . . ?
C20 C19 C18 118.04(17) . . ?
C20 C19 C27 121.32(16) . . ?
C21 C20 C19 121.58(17) . . ?
C22 C21 C20 119.74(16) . . ?
C21 C22 C23 121.39(17) . . ?
C18 C23 C24 123.10(15) . . ?
C22 C23 C18 118.45(16) . . ?
C22 C23 C24 118.42(16) . . ?
C23 C24 C25 111.79(15) . . ?
C23 C24 C26 110.37(15) . . ?
C26 C24 C25 110.43(17) . . ?
C19 C27 C28 113.59(17) . . ?
C19 C27 C29 111.59(16) . . ?
C28 C27 C29 109.51(17) . . ?
O1 C30 C31 119.88(16) . . ?
O1 C30 C37 119.94(15) . . ?
C31 C30 C37 120.17(14) . . ?
C32 C31 C30 119.15(16) . . ?
C32 C31 C36 119.99(16) . . ?
C36 C31 C30 120.79(15) . . ?
C33 C32 C31 119.70(18) . . ?
C32 C33 C34 120.11(18) . . ?
C35 C34 C33 120.67(17) . . ?
C34 C35 C36 119.79(18) . . ?
C35 C36 C31 119.69(17) . . ?
C38 C37 C30 120.92(15) . . ?
C38 C37 C42 120.13(16) . . ?
C42 C37 C30 118.80(16) . . ?
C37 C38 C39 119.75(16) . . ?
C40 C39 C38 120.08(18) . . ?
C39 C40 C41 120.01(17) . . ?
C42 C41 C40 120.50(17) . . ?
C41 C42 C37 119.47(18) . . ?
C46 C45 Si1 121.06(13) . . ?
C50 C45 Si1 122.29(13) . . ?
C50 C45 C46 116.65(16) . . ?
C47 C46 C45 121.68(17) . . ?
C48 C47 C46 120.34(18) . . ?
C47 C48 C49 119.27(17) . . ?
C48 C49 C50 120.02(18) . . ?
C49 C50 C45 122.04(17) . . ?
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
Si1 Mg1 2.6488(6) . ?
Si1 C43 1.899(2) . ?
Si1 C44 1.9001(19) . ?
Si1 C45 1.9152(17) . ?
Mg1 O1 2.0443(13) . ?
Mg1 N1 2.0626(14) . ?
Mg1 N2 2.0585(14) . ?
O1 C30 1.233(2) . ?
N1 C2 1.321(2) . ?
N1 C18 1.441(2) . ?
N2 C4 1.331(2) . ?
N2 C6 1.433(2) . ?
C1 C2 1.517(2) . ?
C2 C3 1.418(2) . ?
C3 C4 1.406(2) . ?
C4 C5 1.520(2) . ?
C6 C7 1.410(2) . ?
C6 C11 1.409(2) . ?
C7 C8 1.393(3) . ?
C7 C15 1.522(3) . ?
C8 C9 1.380(3) . ?
C9 C10 1.383(3) . ?
C10 C11 1.398(2) . ?
C11 C12 1.515(2) . ?
C12 C13 1.527(2) . ?
C12 C14 1.532(2) . ?
C15 C16 1.527(3) . ?
C15 C17 1.532(3) . ?
C18 C19 1.413(2) . ?
C18 C23 1.405(2) . ?
C19 C20 1.397(2) . ?
C19 C27 1.516(3) . ?
C20 C21 1.379(3) . ?
C21 C22 1.378(3) . ?
C22 C23 1.397(2) . ?
C23 C24 1.516(2) . ?
C24 C25 1.537(3) . ?
C24 C26 1.530(3) . ?
C27 C28 1.531(2) . ?
C27 C29 1.537(3) . ?
C30 C31 1.478(2) . ?
C30 C37 1.479(2) . ?
C31 C32 1.399(2) . ?
C31 C36 1.400(2) . ?
C32 C33 1.385(3) . ?
C33 C34 1.387(3) . ?
C34 C35 1.387(3) . ?
C35 C36 1.391(2) . ?
C37 C38 1.389(2) . ?
C37 C42 1.398(2) . ?
C38 C39 1.391(3) . ?
C39 C40 1.385(3) . ?
C40 C41 1.387(3) . ?
C41 C42 1.383(3) . ?
C45 C46 1.404(2) . ?
C45 C50 1.397(3) . ?
C46 C47 1.392(3) . ?
C47 C48 1.385(3) . ?
C48 C49 1.388(3) . ?
C49 C50 1.394(3) . ?
