#------------------------------------------------------------------------------
#$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201957 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/01/23/2012356.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2012356
loop_
_publ_author_name
'Kennedy, Alan R.'
'Mulvey, Robert E.'
'Schulte, J. Hilko'
_publ_section_title
;
 A monomeric three-coordinate magnesium bis(amide)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1288
_journal_page_last               1289
_journal_paper_doi               10.1107/S0108270101014408
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Mg (C4 H10 O) (C15 H26 N Si)2]'
_chemical_formula_moiety         'C34 H62 Mg N2 O Si2'
_chemical_formula_sum            'C34 H62 Mg N2 O Si2'
_chemical_formula_weight         595.35
_chemical_name_systematic
;(diethyl
 ether-O)bis[2,6-diisopropyl-N-(trimethylsilyl)aniline-N]magnesium(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.900(14)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.359(2)
_cell_length_b                   18.443(3)
_cell_length_c                   16.984(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      18.52
_cell_measurement_theta_min      15.69
_cell_volume                     3788.1(10)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software (Molecular Structure
Corporation, 1988)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1992)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR (Altomare et al., 1994)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full .968
_diffrn_measured_fraction_theta_max .997
_diffrn_measurement_device_type  'Rigaku AFC-7S'
_diffrn_measurement_method       ω/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71069
_diffrn_reflns_av_R_equivalents  .023
_diffrn_reflns_av_sigmaI/netI    .073
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            9082
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         2.53
_diffrn_standards_decay_%        .87
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .136
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.044
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          .55
_exptl_crystal_size_mid          .30
_exptl_crystal_size_min          .15
_refine_diff_density_max         .44
_refine_diff_density_min         -.20
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     377
_refine_ls_number_reflns         8689
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          .095
_refine_ls_R_factor_gt           .038
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0432P)²+0.9303P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .116
_reflns_number_gt                5523
_reflns_number_total             8689
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            tr1003.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2012356
_cod_database_fobs_code          2012356
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Si1 .65378(4) .32763(3) .14686(3) .02303(11) Uani d . 1 . . Si
Si2 .16565(4) .32305(3) .21298(3) .03127(13) Uani d . 1 . . Si
Mg1 .40542(5) .26980(3) .17360(3) .02219(13) Uani d . 1 . . Mg
O1 .34555(11) .16729(6) .17737(9) .0376(3) Uani d . 1 . . O
N1 .54609(10) .26683(7) .13559(8) .0201(3) Uani d . 1 . . N
N2 .29920(11) .34006(7) .20277(8) .0228(3) Uani d . 1 . . N
C1 .76462(15) .31349(13) .23954(11) .0400(5) Uani d . 1 . . C
H1A .7310 .3119 .2870 .060 Uiso calc R 1 . . H
H1B .8177 .3536 .2451 .060 Uiso calc R 1 . . H
H1C .8029 .2677 .2349 .060 Uiso calc R 1 . . H
C2 .72382(14) .32362(10) .05869(11) .0313(4) Uani d . 1 . . C
H2A .7466 .2736 .0511 .047 Uiso calc R 1 . . H
H2B .7891 .3551 .0689 .047 Uiso calc R 1 . . H
H2C .6724 .3400 .0101 .047 Uiso calc R 1 . . H
C3 .60505(15) .42211(10) .15767(13) .0351(4) Uani d . 1 . . C
H3A .5552 .4369 .1076 .053 Uiso calc R 1 . . H
H3B .6688 .4549 .1690 .053 Uiso calc R 1 . . H
H3C .5656 .4241 .2021 .053 Uiso calc R 1 . . H
C4 .54010(13) .21146(9) .07572(9) .0206(3) Uani d . 1 . . C
C5 .59877(14) .14499(9) .09145(10) .0262(4) Uani d . 1 . . C
C6 .58773(16) .09231(10) .03145(11) .0320(4) Uani d . 1 . . C
H6 .6271 .0480 .0425 .038 Uiso calc R 1 . . H
C7 .52142(17) .10273(10) -.04331(11) .0344(4) Uani d . 1 . . C
H7 .5142 .0658 -.0831 .041 Uiso calc R 1 . . H
C8 .46534(16) .16769(10) -.05989(11) .0314(4) Uani d . 1 . . C
H8 .4201 .1752 -.1117 .038 Uiso calc R 1 . . H
C9 .47367(14) .22250(9) -.00232(10) .0234(3) Uani d . 1 . . C
C10 .67640(15) .12981(10) .17153(11) .0332(4) Uani d . 1 . . C
H10 .6664 .1693 .2098 .040 Uiso calc R 1 . . H
C11 .79721(17) .13112(14) .16257(14) .0484(6) Uani d . 1 . . C
H11A .8093 .0926 .1256 .073 Uiso calc R 1 . . H
H11B .8458 .1233 .2152 .073 Uiso calc R 1 . . H
H11C .8138 .1782 .1412 .073 Uiso calc R 1 . . H
C12 .6529(2) .05715(12) .20888(14) .0507(6) Uani d . 1 . . C
H12A .5743 .0543 .2108 .076 Uiso calc R 1 . . H
H12B .6976 .0535 .2636 .076 Uiso calc R 1 . . H
H12C .6719 .0172 .1761 .076 Uiso calc R 1 . . H
C13 .41333(14) .29364(9) -.02586(10) .0250(3) Uani d . 1 . . C
H13 .4372 .3286 .0194 .030 Uiso calc R 1 . . H
C14 .44259(16) .32680(10) -.10154(11) .0320(4) Uani d . 1 . . C
H14A .5232 .3289 -.0952 .048 Uiso calc R 1 . . H
H14B .4119 .3759 -.1095 .048 Uiso calc R 1 . . H
H14C .4114 .2968 -.1483 .048 Uiso calc R 1 . . H
C15 .28797(15) .28499(11) -.03823(12) .0358(4) Uani d . 1 . . C
H15A .2636 .2454 -.0763 .054 Uiso calc R 1 . . H
H15B .2519 .3302 -.0598 .054 Uiso calc R 1 . . H
H15C .2681 .2738 .0134 .054 Uiso calc R 1 . . H
C16 .1577(2) .24671(12) .28396(17) .0549(7) Uani d . 1 . . C
H16A .1896 .2029 .2652 .082 Uiso calc R 1 . . H
H16B .0802 .2377 .2861 .082 Uiso calc R 1 . . H
H16C .1991 .2595 .3378 .082 Uiso calc R 1 . . H
C17 .07103(17) .29789(14) .11545(16) .0537(6) Uani d . 1 . . C
H17A .0639 .3391 .0783 .081 Uiso calc R 1 . . H
H17B -.0020 .2852 .1255 .081 Uiso calc R 1 . . H
H17C .1017 .2562 .0917 .081 Uiso calc R 1 . . H
C18 .10410(17) .40344(11) .25463(15) .0445(5) Uani d . 1 . . C
H18A .1450 .4131 .3095 .067 Uiso calc R 1 . . H
H18B .0265 .3935 .2555 .067 Uiso calc R 1 . . H
H18C .1086 .4459 .2207 .067 Uiso calc R 1 . . H
C19 .34066(13) .41149(9) .22280(10) .0228(3) Uani d . 1 . . C
C20 .40035(14) .42735(10) .30152(11) .0284(4) Uani d . 1 . . C
C21 .44440(15) .49658(11) .31918(13) .0359(4) Uani d . 1 . . C
H21 .4860 .5065 .3716 .043 Uiso calc R 1 . . H
C22 .42891(15) .55088(10) .26230(14) .0383(5) Uani d . 1 . . C
H22 .4597 .5976 .2753 .046 Uiso calc R 1 . . H
C23 .36835(15) .53671(9) .18637(13) .0337(4) Uani d . 1 . . C
H23 .3566 .5746 .1476 .040 Uiso calc R 1 . . H
C24 .32364(13) .46818(9) .16472(11) .0270(4) Uani d . 1 . . C
C25 .42075(17) .36972(11) .36707(11) .0360(4) Uani d . 1 . . C
H25 .3745 .3268 .3458 .043 Uiso calc R 1 . . H
C26 .54130(19) .34483(14) .38423(15) .0570(6) Uani d . 1 . . C
H26A .5603 .3270 .3344 .085 Uiso calc R 1 . . H
H26B .5515 .3058 .4242 .085 Uiso calc R 1 . . H
H26C .5894 .3857 .4050 .085 Uiso calc R 1 . . H
C27 .3860(3) .39311(15) .44438(14) .0678(8) Uani d . 1 . . C
H27A .4298 .4352 .4672 .102 Uiso calc R 1 . . H
H27B .3985 .3531 .4832 .102 Uiso calc R 1 . . H
H27C .3074 .4060 .4324 .102 Uiso calc R 1 . . H
C28 .25881(16) .45672(11) .07964(12) .0360(4) Uani d . 1 . . C
H28 .2385 .4042 .0732 .043 Uiso calc R 1 . . H
C29 .3241(2) .47660(12) .01556(13) .0477(5) Uani d . 1 . . C
H29A .3441 .5281 .0205 .071 Uiso calc R 1 . . H
H29B .2786 .4674 -.0380 .071 Uiso calc R 1 . . H
H29C .3914 .4471 .0231 .071 Uiso calc R 1 . . H
C30 .1517(2) .50133(17) .06245(15) .0643(7) Uani d . 1 . . C
H30A .1036 .4857 .0985 .096 Uiso calc R 1 . . H
H30B .1136 .4940 .0064 .096 Uiso calc R 1 . . H
H30C .1694 .5528 .0715 .096 Uiso calc R 1 . . H
C31 .4557(2) .16224(12) .31084(15) .0533(6) Uani d . 1 . . C
H31A .5195 .1783 .2895 .080 Uiso calc R 1 . . H
H31B .4809 .1307 .3575 .080 Uiso calc R 1 . . H
H31C .4177 .2045 .3272 .080 Uiso calc R 1 . . H
C32 .3778(2) .12119(11) .24721(15) .0482(6) Uani d . 1 . . C
H32A .4143 .0769 .2325 .058 Uiso calc R 1 . . H
H32B .3116 .1065 .2676 .058 Uiso calc R 1 . . H
C33 .26193(17) .13398(11) .11493(14) .0425(5) Uani d . 1 . . C
H33A .2337 .1708 .0733 .051 Uiso calc R 1 . . H
H33B .1992 .1182 .1389 .051 Uiso calc R 1 . . H
C34 .3038(2) .07003(12) .07545(16) .0522(6) Uani d . 1 . . C
H34A .3699 .0841 .0557 .078 Uiso calc R 1 . . H
H34B .2465 .0535 .0303 .078 Uiso calc R 1 . . H
H34C .3225 .0307 .1147 .078 Uiso calc R 1 . . H
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Si Si .0817 .0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mg Mg .0486 .0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0106 .0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N .0061 .0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .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_publ_flag
N1 Si1 C3 111.21(7) ?
N1 Si1 C2 111.01(7) ?
C3 Si1 C2 109.04(9) ?
N1 Si1 C1 114.60(8) ?
C3 Si1 C1 103.98(10) ?
C2 Si1 C1 106.62(9) ?
N2 Si2 C16 112.37(9) ?
N2 Si2 C18 111.49(8) ?
C16 Si2 C18 105.88(10) ?
N2 Si2 C17 113.03(9) ?
C16 Si2 C17 106.06(12) ?
C18 Si2 C17 107.56(11) ?
N1 Mg1 N2 140.69(6) y
N1 Mg1 O1 109.54(6) y
N2 Mg1 O1 109.63(6) y
C32 O1 C33 112.54(15) ?
C32 O1 Mg1 122.07(13) ?
C33 O1 Mg1 125.25(12) ?
C4 N1 Si1 117.98(10) y
C4 N1 Mg1 109.37(10) y
Si1 N1 Mg1 131.15(8) y
C19 N2 Si2 116.59(10) y
C19 N2 Mg1 116.07(10) y
Si2 N2 Mg1 127.20(8) y
Si1 C1 H1A 109.5 ?
Si1 C1 H1B 109.5 ?
H1A C1 H1B 109.5 ?
Si1 C1 H1C 109.5 ?
H1A C1 H1C 109.5 ?
H1B C1 H1C 109.5 ?
Si1 C2 H2A 109.5 ?
Si1 C2 H2B 109.5 ?
H2A C2 H2B 109.5 ?
Si1 C2 H2C 109.5 ?
H2A C2 H2C 109.5 ?
H2B C2 H2C 109.5 ?
Si1 C3 H3A 109.5 ?
Si1 C3 H3B 109.5 ?
H3A C3 H3B 109.5 ?
Si1 C3 H3C 109.5 ?
H3A C3 H3C 109.5 ?
H3B C3 H3C 109.5 ?
C5 C4 C9 118.21(15) ?
C5 C4 N1 122.13(14) ?
C9 C4 N1 119.66(14) ?
C6 C5 C4 119.64(16) ?
C6 C5 C10 118.32(15) ?
C4 C5 C10 122.03(15) ?
C7 C6 C5 121.83(17) ?
C7 C6 H6 119.1 ?
C5 C6 H6 119.1 ?
C6 C7 C8 119.14(17) ?
C6 C7 H7 120.4 ?
C8 C7 H7 120.4 ?
C7 C8 C9 121.55(17) ?
C7 C8 H8 119.2 ?
C9 C8 H8 119.2 ?
C8 C9 C4 119.62(15) ?
C8 C9 C13 118.64(15) ?
C4 C9 C13 121.72(14) ?
C5 C10 C11 110.88(16) ?
C5 C10 C12 113.09(17) ?
C11 C10 C12 109.01(17) ?
C5 C10 H10 107.9 ?
C11 C10 H10 107.9 ?
C12 C10 H10 107.9 ?
C10 C11 H11A 109.5 ?
C10 C11 H11B 109.5 ?
H11A C11 H11B 109.5 ?
C10 C11 H11C 109.5 ?
H11A C11 H11C 109.5 ?
H11B C11 H11C 109.5 ?
C10 C12 H12A 109.5 ?
C10 C12 H12B 109.5 ?
H12A C12 H12B 109.5 ?
C10 C12 H12C 109.5 ?
H12A C12 H12C 109.5 ?
H12B C12 H12C 109.5 ?
C9 C13 C15 111.98(14) ?
C9 C13 C14 112.13(14) ?
C15 C13 C14 109.52(14) ?
C9 C13 H13 107.7 ?
C15 C13 H13 107.7 ?
C14 C13 H13 107.7 ?
C13 C14 H14A 109.5 ?
C13 C14 H14B 109.5 ?
H14A C14 H14B 109.5 ?
C13 C14 H14C 109.5 ?
H14A C14 H14C 109.5 ?
H14B C14 H14C 109.5 ?
C13 C15 H15A 109.5 ?
C13 C15 H15B 109.5 ?
H15A C15 H15B 109.5 ?
C13 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 ?
Si2 C17 H17A 109.5 ?
Si2 C17 H17B 109.5 ?
H17A C17 H17B 109.5 ?
Si2 C17 H17C 109.5 ?
H17A C17 H17C 109.5 ?
H17B C17 H17C 109.5 ?
Si2 C18 H18A 109.5 ?
Si2 C18 H18B 109.5 ?
H18A C18 H18B 109.5 ?
Si2 C18 H18C 109.5 ?
H18A C18 H18C 109.5 ?
H18B C18 H18C 109.5 ?
C20 C19 C24 118.42(15) ?
C20 C19 N2 120.40(15) ?
C24 C19 N2 121.18(15) ?
C21 C20 C19 119.69(17) ?
C21 C20 C25 118.87(17) ?
C19 C20 C25 121.41(16) ?
C22 C21 C20 121.50(18) ?
C22 C21 H21 119.2 ?
C20 C21 H21 119.2 ?
C23 C22 C21 119.31(17) ?
C23 C22 H22 120.3 ?
C21 C22 H22 120.3 ?
C22 C23 C24 121.82(18) ?
C22 C23 H23 119.1 ?
C24 C23 H23 119.1 ?
C23 C24 C19 119.21(17) ?
C23 C24 C28 118.64(16) ?
C19 C24 C28 122.15(15) ?
C20 C25 C27 113.49(17) ?
C20 C25 C26 110.92(17) ?
C27 C25 C26 110.9(2) ?
C20 C25 H25 107.0 ?
C27 C25 H25 107.0 ?
C26 C25 H25 107.0 ?
C25 C26 H26A 109.5 ?
C25 C26 H26B 109.5 ?
H26A C26 H26B 109.5 ?
C25 C26 H26C 109.5 ?
H26A C26 H26C 109.5 ?
H26B C26 H26C 109.5 ?
C25 C27 H27A 109.5 ?
C25 C27 H27B 109.5 ?
H27A C27 H27B 109.5 ?
C25 C27 H27C 109.5 ?
H27A C27 H27C 109.5 ?
H27B C27 H27C 109.5 ?
C24 C28 C29 113.13(17) ?
C24 C28 C30 111.86(17) ?
C29 C28 C30 107.31(17) ?
C24 C28 H28 108.1 ?
C29 C28 H28 108.1 ?
C30 C28 H28 108.1 ?
C28 C29 H29A 109.5 ?
C28 C29 H29B 109.5 ?
H29A C29 H29B 109.5 ?
C28 C29 H29C 109.5 ?
H29A C29 H29C 109.5 ?
H29B C29 H29C 109.5 ?
C28 C30 H30A 109.5 ?
C28 C30 H30B 109.5 ?
H30A C30 H30B 109.5 ?
C28 C30 H30C 109.5 ?
H30A C30 H30C 109.5 ?
H30B C30 H30C 109.5 ?
C32 C31 H31A 109.5 ?
C32 C31 H31B 109.5 ?
H31A C31 H31B 109.5 ?
C32 C31 H31C 109.5 ?
H31A C31 H31C 109.5 ?
H31B C31 H31C 109.5 ?
O1 C32 C31 108.79(17) ?
O1 C32 H32A 109.9 ?
C31 C32 H32A 109.9 ?
O1 C32 H32B 109.9 ?
C31 C32 H32B 109.9 ?
H32A C32 H32B 108.3 ?
O1 C33 C34 113.49(18) ?
O1 C33 H33A 108.9 ?
C34 C33 H33A 108.9 ?
O1 C33 H33B 108.9 ?
C34 C33 H33B 108.9 ?
H33A C33 H33B 107.7 ?
C33 C34 H34A 109.5 ?
C33 C34 H34B 109.5 ?
H34A C34 H34B 109.5 ?
C33 C34 H34C 109.5 ?
H34A C34 H34C 109.5 ?
H34B C34 H34C 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Si1 N1 . 1.7206(14) ?
Si1 C3 . 1.8650(19) ?
Si1 C2 . 1.8794(18) ?
Si1 C1 . 1.8796(19) ?
Si2 N2 . 1.7236(14) ?
Si2 C16 . 1.869(2) ?
Si2 C18 . 1.8705(19) ?
Si2 C17 . 1.878(2) ?
Mg1 N1 . 1.9761(14) y
Mg1 N2 . 1.9789(14) y
Mg1 O1 . 2.0361(13) y
Mg1 C4 . 2.7988(16) ?
O1 C32 . 1.447(3) ?
O1 C33 . 1.455(3) ?
N1 C4 . 1.432(2) ?
N2 C19 . 1.429(2) ?
C1 H1A . .9800 ?
C1 H1B . .9800 ?
C1 H1C . .9800 ?
C2 H2A . .9800 ?
C2 H2B . .9800 ?
C2 H2C . .9800 ?
C3 H3A . .9800 ?
C3 H3B . .9800 ?
C3 H3C . .9800 ?
C4 C5 . 1.421(2) ?
C4 C9 . 1.423(2) ?
C5 C6 . 1.394(2) ?
C5 C10 . 1.520(2) ?
C6 C7 . 1.375(3) ?
C6 H6 . .9500 ?
C7 C8 . 1.384(3) ?
C7 H7 . .9500 ?
C8 C9 . 1.395(2) ?
C8 H8 . .9500 ?
C9 C13 . 1.521(2) ?
C10 C11 . 1.532(3) ?
C10 C12 . 1.536(3) ?
C10 H10 . 1.0000 ?
C11 H11A . .9800 ?
C11 H11B . .9800 ?
C11 H11C . .9800 ?
C12 H12A . .9800 ?
C12 H12B . .9800 ?
C12 H12C . .9800 ?
C13 C15 . 1.528(2) ?
C13 C14 . 1.533(2) ?
C13 H13 . 1.0000 ?
C14 H14A . .9800 ?
C14 H14B . .9800 ?
C14 H14C . .9800 ?
C15 H15A . .9800 ?
C15 H15B . .9800 ?
C15 H15C . .9800 ?
C16 H16A . .9800 ?
C16 H16B . .9800 ?
C16 H16C . .9800 ?
C17 H17A . .9800 ?
C17 H17B . .9800 ?
C17 H17C . .9800 ?
C18 H18A . .9800 ?
C18 H18B . .9800 ?
C18 H18C . .9800 ?
C19 C20 . 1.418(2) ?
C19 C24 . 1.423(2) ?
C20 C21 . 1.396(3) ?
C20 C25 . 1.522(3) ?
C21 C22 . 1.377(3) ?
C21 H21 . .9500 ?
C22 C23 . 1.376(3) ?
C22 H22 . .9500 ?
C23 C24 . 1.398(2) ?
C23 H23 . .9500 ?
C24 C28 . 1.516(3) ?
C25 C27 . 1.526(3) ?
C25 C26 . 1.528(3) ?
C25 H25 . 1.0000 ?
C26 H26A . .9800 ?
C26 H26B . .9800 ?
C26 H26C . .9800 ?
C27 H27A . .9800 ?
C27 H27B . .9800 ?
C27 H27C . .9800 ?
C28 C29 . 1.527(3) ?
C28 C30 . 1.535(3) ?
C28 H28 . 1.0000 ?
C29 H29A . .9800 ?
C29 H29B . .9800 ?
C29 H29C . .9800 ?
C30 H30A . .9800 ?
C30 H30B . .9800 ?
C30 H30C . .9800 ?
C31 C32 . 1.497(3) ?
C31 H31A . .9800 ?
C31 H31B . .9800 ?
C31 H31C . .9800 ?
C32 H32A . .9900 ?
C32 H32B . .9900 ?
C33 C34 . 1.501(3) ?
C33 H33A . .9900 ?
C33 H33B . .9900 ?
C34 H34A . .9800 ?
C34 H34B . .9800 ?
C34 H34C . .9800 ?
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_publ_flag
N1 Mg1 O1 C32 87.27(14) y
N2 Mg1 O1 C32 -96.17(14) y
C4 Mg1 O1 C32 103.92(14) ?
N1 Mg1 O1 C33 -97.29(14) ?
N2 Mg1 O1 C33 79.28(14) ?
C4 Mg1 O1 C33 -80.63(14) ?
C3 Si1 N1 C4 136.36(12) ?
C2 Si1 N1 C4 14.77(14) ?
C1 Si1 N1 C4 -106.08(13) ?
C3 Si1 N1 Mg1 -28.00(13) ?
C2 Si1 N1 Mg1 -149.59(10) ?
C1 Si1 N1 Mg1 89.56(12) ?
N2 Mg1 N1 C4 -138.58(11) y
O1 Mg1 N1 C4 36.30(12) y
N2 Mg1 N1 Si1 26.80(16) ?
O1 Mg1 N1 Si1 -158.31(9) ?
C4 Mg1 N1 Si1 165.38(17) ?
C16 Si2 N2 C19 -121.69(14) ?
C18 Si2 N2 C19 -3.00(16) ?
C17 Si2 N2 C19 118.30(14) ?
C16 Si2 N2 Mg1 53.70(14) ?
C18 Si2 N2 Mg1 172.39(11) ?
C17 Si2 N2 Mg1 -66.31(14) ?
N1 Mg1 N2 C19 -20.50(17) y
O1 Mg1 N2 C19 164.61(11) y
C4 Mg1 N2 C19 -69.80(19) ?
N1 Mg1 N2 Si2 164.09(8) ?
O1 Mg1 N2 Si2 -10.80(12) ?
C4 Mg1 N2 Si2 114.79(13) ?
Si1 N1 C4 C5 85.29(17) ?
Mg1 N1 C4 C5 -107.13(15) ?
Si1 N1 C4 C9 -94.69(15) ?
Mg1 N1 C4 C9 72.89(15) ?
Si1 N1 C4 Mg1 -167.57(15) ?
N1 Mg1 C4 C5 101.75(17) ?
N2 Mg1 C4 C5 -174.05(14) ?
O1 Mg1 C4 C5 -44.23(14) ?
N1 Mg1 C4 C9 -122.07(15) ?
N2 Mg1 C4 C9 -37.87(19) ?
O1 Mg1 C4 C9 91.95(11) ?
N2 Mg1 C4 N1 84.20(17) ?
O1 Mg1 C4 N1 -145.98(11) ?
C9 C4 C5 C6 -1.6(2) ?
N1 C4 C5 C6 178.46(15) ?
Mg1 C4 C5 C6 128.09(15) ?
C9 C4 C5 C10 176.80(15) ?
N1 C4 C5 C10 -3.2(2) ?
Mg1 C4 C5 C10 -53.6(2) ?
C4 C5 C6 C7 .2(3) ?
C10 C5 C6 C7 -178.26(17) ?
C5 C6 C7 C8 1.0(3) ?
C6 C7 C8 C9 -.6(3) ?
C7 C8 C9 C4 -.8(3) ?
C7 C8 C9 C13 177.58(17) ?
C5 C4 C9 C8 1.9(2) ?
N1 C4 C9 C8 -178.15(15) ?
Mg1 C4 C9 C8 -137.64(14) ?
C5 C4 C9 C13 -176.46(15) ?
N1 C4 C9 C13 3.5(2) ?
Mg1 C4 C9 C13 44.03(16) ?
C6 C5 C10 C11 70.1(2) ?
C4 C5 C10 C11 -108.30(19) ?
C6 C5 C10 C12 -52.7(2) ?
C4 C5 C10 C12 128.91(18) ?
C8 C9 C13 C15 70.1(2) ?
C4 C9 C13 C15 -111.60(18) ?
C8 C9 C13 C14 -53.5(2) ?
C4 C9 C13 C14 124.82(16) ?
Si2 N2 C19 C20 92.90(16) ?
Mg1 N2 C19 C20 -83.02(16) ?
Si2 N2 C19 C24 -87.29(17) ?
Mg1 N2 C19 C24 96.79(15) ?
C24 C19 C20 C21 -2.6(2) ?
N2 C19 C20 C21 177.25(15) ?
C24 C19 C20 C25 179.33(15) ?
N2 C19 C20 C25 -.9(2) ?
C19 C20 C21 C22 1.7(3) ?
C25 C20 C21 C22 179.86(16) ?
C20 C21 C22 C23 .2(3) ?
C21 C22 C23 C24 -1.2(3) ?
C22 C23 C24 C19 .3(3) ?
C22 C23 C24 C28 -179.44(16) ?
C20 C19 C24 C23 1.6(2) ?
N2 C19 C24 C23 -178.22(14) ?
C20 C19 C24 C28 -178.68(15) ?
N2 C19 C24 C28 1.5(2) ?
C21 C20 C25 C27 54.2(3) ?
C19 C20 C25 C27 -127.6(2) ?
C21 C20 C25 C26 -71.4(2) ?
C19 C20 C25 C26 106.7(2) ?
C23 C24 C28 C29 55.6(2) ?
C19 C24 C28 C29 -124.15(18) ?
C23 C24 C28 C30 -65.8(2) ?
C19 C24 C28 C30 114.5(2) ?
C33 O1 C32 C31 -174.87(17) ?
Mg1 O1 C32 C31 1.1(2) ?
C32 O1 C33 C34 -68.5(2) ?
Mg1 O1 C33 C34 115.67(17) ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30652332
