#------------------------------------------------------------------------------
#$Date: 2024-04-06 02:42:10 +0300 (Sat, 06 Apr 2024) $
#$Revision: 291115 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/30/2023039.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_2023039
loop_
_publ_author_name
'Kraft, Bradley M.'
'Brennessel, William W.'
'Andrews, Jordan W.'
'Viggiani, Michael T.'
'Kittrell, Nathan F.'
'Heckman, Matthew T.'
_publ_section_title
;
 Synthesis and crystal structures of
 bis-[1-oxopyridin-2-olato(1-)]bis-(penta-fluoro-phen-yl)silicon(IV)-tetra-hydro-furan-pentane
 (2/1/1), bis-[1-oxopyridin-2-olato(1-)]bis-(p-tol-yl)silicon(IV),
 and dimesitylbis[1-oxopyridin-2-olato(1-)]silicon(IV).
;
_journal_coeditor_code           EE2004
_journal_issue                   'Pt 3'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              318
_journal_page_last               324
_journal_paper_doi               10.1107/S2056989024001543
_journal_volume                  80
_journal_year                    2024
_chemical_formula_iupac          'C24 H22 N2 O4 Si'
_chemical_formula_moiety         'C24 H22 N2 O4 Si'
_chemical_formula_sum            'C24 H22 N2 O4 Si'
_chemical_formula_weight         430.52
_chemical_name_common
;
Bis[1-oxopyridin-2-olato(1-)]bis(p-tolyl)silicon(IV)
;
_chemical_name_systematic
;
Bis[1-oxopyridin-2-olato(1-)]bis(4-mwthylphenyl)silicon(IV)
;
_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
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2019/3
_cell_angle_alpha                93.057(2)
_cell_angle_beta                 105.3716(19)
_cell_angle_gamma                106.7565(18)
_cell_formula_units_Z            2
_cell_length_a                   8.5662(8)
_cell_length_b                   8.8343(8)
_cell_length_c                   14.7801(14)
_cell_measurement_reflns_used    4074
_cell_measurement_temperature    100.0(5)
_cell_measurement_theta_max      30.29
_cell_measurement_theta_min      2.43
_cell_volume                     1022.45(17)
_computing_cell_refinement
;
SAINT (Bruker, 2013)
;
_computing_data_collection
;
APEX3 (Bruker, 2016)
;
_computing_data_reduction
;
SAINT (Bruker, 2013)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL2019/3 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2018/2 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      100.0(5)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD platform'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0653
_diffrn_reflns_av_unetI/netI     0.0585
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            25883
_diffrn_reflns_theta_full        30.508
_diffrn_reflns_theta_max         30.546
_diffrn_reflns_theta_min         2.432
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.150
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6952
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause et al.,  2015)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.398
_exptl_crystal_description       block
_exptl_crystal_F_000             452
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.007
_refine_diff_density_min         -0.435
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         6239
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0887
_refine_ls_R_factor_gt           0.0541
_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)+(0.0610P)²+0.4958P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1318
_refine_ls_wR_factor_ref         0.1487
_reflns_number_gt                4231
_reflns_number_total             6239
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ee2004sup1.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 2023038--2023040.cif.'
_cod_database_code               2023039
_cod_database_fobs_code          2023039
_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.
;
_shelx_estimated_absorpt_t_min   0.965
_shelx_estimated_absorpt_t_max   0.971
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si Si1 0.46085(7) 0.32324(6) 0.72662(4) 0.01840(13) Uani d 1 . .
O O1 0.62723(17) 0.50446(16) 0.78902(10) 0.0207(3) Uani d 1 . .
O O2 0.64598(17) 0.23371(16) 0.75110(10) 0.0219(3) Uani d 1 . .
O O3 0.33449(17) 0.13549(16) 0.65212(9) 0.0202(3) Uani d 1 . .
O O4 0.53005(18) 0.37788(16) 0.61623(10) 0.0225(3) Uani d 1 . .
N N1 0.7819(2) 0.4865(2) 0.82216(12) 0.0200(4) Uani d 0.658(19) A 1
C C1 0.7904(2) 0.3388(2) 0.80021(13) 0.0210(4) Uani d 0.658(19) A 1
N N2 0.3498(2) 0.1276(2) 0.56448(12) 0.0198(4) Uani d 0.612(19) B 1
C C6 0.4563(2) 0.2595(2) 0.54532(13) 0.0211(4) Uani d 0.612(19) B 1
N N1' 0.7904(2) 0.3388(2) 0.80021(13) 0.0210(4) Uani d 0.342(19) A 5
C C1' 0.7819(2) 0.4865(2) 0.82216(12) 0.0200(4) Uani d 0.342(19) A 5
N N2' 0.4563(2) 0.2595(2) 0.54532(13) 0.0211(4) Uani d 0.388(19) B 5
C C6' 0.3498(2) 0.1276(2) 0.56448(12) 0.0198(4) Uani d 0.388(19) B 5
C C2 0.9459(3) 0.3113(3) 0.83015(14) 0.0241(4) Uani d 1 . .
H H2 0.954380 0.208720 0.814746 0.029 Uiso calc 1 A 1
C C3 1.0883(3) 0.4329(3) 0.88228(15) 0.0269(4) Uani d 1 . .
H H3 1.195403 0.414653 0.902786 0.032 Uiso calc 1 . .
C C4 1.0749(3) 0.5832(3) 0.90496(15) 0.0283(5) Uani d 1 . .
H H4 1.172679 0.667323 0.941344 0.034 Uiso calc 1 . .
C C5 0.9201(3) 0.6090(3) 0.87452(15) 0.0248(4) Uani d 1 . .
H H5 0.909370 0.710641 0.889705 0.030 Uiso calc 1 A 1
C C7 0.4840(3) 0.2623(3) 0.45720(14) 0.0248(4) Uani d 1 . .
H H7 0.558326 0.354501 0.443053 0.030 Uiso calc 1 B 1
C C8 0.4013(3) 0.1286(3) 0.39071(15) 0.0282(5) Uani d 1 . .
H H8 0.418987 0.128457 0.329907 0.034 Uiso calc 1 . .
C C9 0.2919(3) -0.0068(3) 0.41123(15) 0.0279(5) Uani d 1 . .
H H9 0.235815 -0.098844 0.364838 0.034 Uiso calc 1 . .
C C10 0.2658(3) -0.0062(2) 0.49899(14) 0.0242(4) Uani d 1 . .
H H10 0.190706 -0.097031 0.513907 0.029 Uiso calc 1 B 1
C C11 0.2970(2) 0.4356(2) 0.69348(13) 0.0176(4) Uani d 1 . .
C C12 0.3356(3) 0.5987(2) 0.72212(14) 0.0232(4) Uani d 1 . .
H H12 0.448901 0.656954 0.758615 0.028 Uiso calc 1 . .
C C13 0.2159(3) 0.6806(3) 0.69979(15) 0.0252(4) Uani d 1 . .
H H13 0.249201 0.791922 0.720466 0.030 Uiso calc 1 . .
C C14 0.0474(3) 0.5988(3) 0.64712(15) 0.0256(4) Uani d 1 . .
C C15 0.0053(3) 0.4365(3) 0.61821(16) 0.0280(5) Uani d 1 . .
H H15 -0.108304 0.378531 0.582028 0.034 Uiso calc 1 . .
C C16 0.1265(3) 0.3562(3) 0.64118(15) 0.0255(4) Uani d 1 . .
H H16 0.092432 0.244689 0.620812 0.031 Uiso calc 1 . .
C C17 -0.0844(3) 0.6841(3) 0.62348(18) 0.0337(5) Uani d 1 . .
H H17A -0.124820 0.680593 0.554615 0.051 Uiso calc 1 . .
H H17B -0.033391 0.795498 0.653631 0.051 Uiso calc 1 . .
H H17C -0.180549 0.631563 0.646813 0.051 Uiso calc 1 . .
C C18 0.4015(2) 0.2402(2) 0.83540(13) 0.0176(4) Uani d 1 . .
C C19 0.2635(3) 0.1029(2) 0.82682(15) 0.0261(4) Uani d 1 . .
H H19 0.195061 0.050060 0.765313 0.031 Uiso calc 1 . .
C C20 0.2234(3) 0.0412(3) 0.90568(16) 0.0303(5) Uani d 1 . .
H H20 0.128409 -0.052066 0.896705 0.036 Uiso calc 1 . .
C C21 0.3202(3) 0.1141(3) 0.99752(15) 0.0266(4) Uani d 1 . .
C C22 0.4531(3) 0.2532(3) 1.00683(15) 0.0275(4) Uani d 1 . .
H H22 0.518803 0.308042 1.068349 0.033 Uiso calc 1 . .
C C23 0.4923(3) 0.3146(3) 0.92768(15) 0.0255(4) Uani d 1 . .
H H23 0.584245 0.410556 0.936991 0.031 Uiso calc 1 . .
C C24 0.2834(3) 0.0407(3) 1.08269(17) 0.0371(6) Uani d 1 . .
H H24A 0.163999 -0.026642 1.065461 0.056 Uiso calc 1 . .
H H24B 0.304562 0.125643 1.134065 0.056 Uiso calc 1 . .
H H24C 0.357891 -0.024422 1.103770 0.056 Uiso calc 1 . .
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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O3 Si1 O1 . . 165.96(7) y
O3 Si1 O4 . . 83.76(6) y
O1 Si1 O4 . . 86.24(7) y
O3 Si1 C11 . . 98.02(8) y
O1 Si1 C11 . . 91.68(7) y
O4 Si1 C11 . . 89.37(7) y
O3 Si1 O2 . . 85.72(6) y
O1 Si1 O2 . . 83.35(6) y
O4 Si1 O2 . . 83.28(6) y
C11 Si1 O2 . . 171.36(8) y
O3 Si1 C18 . . 91.04(7) y
O1 Si1 C18 . . 97.64(8) y
O4 Si1 C18 . . 171.40(7) y
C11 Si1 C18 . . 98.16(8) y
O2 Si1 C18 . . 89.53(7) y
C1' O1 Si1 . . 114.21(11) ?
N1 O1 Si1 . . 114.21(11) ?
N1' O2 Si1 . . 111.83(12) ?
C1 O2 Si1 . . 111.83(12) ?
C6' O3 Si1 . . 114.16(12) ?
N2 O3 Si1 . . 114.16(12) ?
N2' O4 Si1 . . 111.43(12) ?
C6 O4 Si1 . . 111.43(12) ?
O1 N1 C1 . . 115.44(16) ?
O1 N1 C5 . . 121.98(17) ?
C1 N1 C5 . . 122.57(17) ?
O2 C1 N1 . . 115.09(16) ?
O2 C1 C2 . . 125.89(18) ?
N1 C1 C2 . . 119.02(18) ?
O3 N2 C6 . . 115.62(16) ?
O3 N2 C10 . . 122.21(18) ?
C6 N2 C10 . . 122.16(17) ?
O4 C6 N2 . . 115.03(16) ?
O4 C6 C7 . . 124.77(18) ?
N2 C6 C7 . . 120.18(18) ?
O2 N1' C1' . . 115.09(16) ?
O2 N1' C2 . . 125.89(18) ?
C1' N1' C2 . . 119.02(18) ?
O1 C1' N1' . . 115.44(16) ?
O1 C1' C5 . . 121.98(17) ?
N1' C1' C5 . . 122.57(17) ?
O4 N2' C6' . . 115.03(16) ?
O4 N2' C7 . . 124.77(18) ?
C6' N2' C7 . . 120.18(18) ?
O3 C6' N2' . . 115.62(16) ?
O3 C6' C10 . . 122.21(18) ?
N2' C6' C10 . . 122.16(17) ?
C3 C2 C1 . . 119.8(2) ?
C3 C2 N1' . . 119.8(2) ?
C3 C2 H2 . . 120.1 ?
C1 C2 H2 . . 120.1 ?
C2 C3 C4 . . 119.81(19) ?
C2 C3 H3 . . 120.1 ?
C4 C3 H3 . . 120.1 ?
C5 C4 C3 . . 119.8(2) ?
C5 C4 H4 . . 120.1 ?
C3 C4 H4 . . 120.1 ?
C1' C5 C4 . . 119.0(2) ?
N1 C5 C4 . . 119.0(2) ?
N1 C5 H5 . . 120.5 ?
C4 C5 H5 . . 120.5 ?
C8 C7 C6 . . 118.4(2) ?
C8 C7 N2' . . 118.4(2) ?
C8 C7 H7 . . 120.8 ?
C6 C7 H7 . . 120.8 ?
C7 C8 C9 . . 120.9(2) ?
C7 C8 H8 . . 119.5 ?
C9 C8 H8 . . 119.5 ?
C10 C9 C8 . . 119.52(19) ?
C10 C9 H9 . . 120.2 ?
C8 C9 H9 . . 120.2 ?
C6' C10 C9 . . 118.8(2) ?
N2 C10 C9 . . 118.8(2) ?
N2 C10 H10 . . 120.6 ?
C9 C10 H10 . . 120.6 ?
C12 C11 C16 . . 115.36(18) ?
C12 C11 Si1 . . 123.04(15) ?
C16 C11 Si1 . . 121.55(15) ?
C11 C12 C13 . . 123.31(19) ?
C11 C12 H12 . . 118.3 ?
C13 C12 H12 . . 118.3 ?
C14 C13 C12 . . 120.1(2) ?
C14 C13 H13 . . 119.9 ?
C12 C13 H13 . . 119.9 ?
C15 C14 C13 . . 117.77(19) ?
C15 C14 C17 . . 121.2(2) ?
C13 C14 C17 . . 121.0(2) ?
C14 C15 C16 . . 121.4(2) ?
C14 C15 H15 . . 119.3 ?
C16 C15 H15 . . 119.3 ?
C15 C16 C11 . . 122.0(2) ?
C15 C16 H16 . . 119.0 ?
C11 C16 H16 . . 119.0 ?
C14 C17 H17A . . 109.5 ?
C14 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
C14 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
C23 C18 C19 . . 115.71(18) ?
C23 C18 Si1 . . 121.98(15) ?
C19 C18 Si1 . . 122.31(15) ?
C20 C19 C18 . . 122.1(2) ?
C20 C19 H19 . . 118.9 ?
C18 C19 H19 . . 118.9 ?
C19 C20 C21 . . 121.1(2) ?
C19 C20 H20 . . 119.4 ?
C21 C20 H20 . . 119.4 ?
C22 C21 C20 . . 117.22(19) ?
C22 C21 C24 . . 121.8(2) ?
C20 C21 C24 . . 120.9(2) ?
C21 C22 C23 . . 121.3(2) ?
C21 C22 H22 . . 119.3 ?
C23 C22 H22 . . 119.3 ?
C18 C23 C22 . . 122.4(2) ?
C18 C23 H23 . . 118.8 ?
C22 C23 H23 . . 118.8 ?
C21 C24 H24A . . 109.5 ?
C21 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
C21 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 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 O3 . 1.8093(14) y
Si1 O1 . 1.8097(14) y
Si1 O4 . 1.9179(15) y
Si1 C11 . 1.9202(19) y
Si1 O2 . 1.9290(15) y
Si1 C18 . 1.9301(19) y
O1 C1' . 1.344(2) ?
O1 N1 . 1.344(2) ?
O2 N1' . 1.307(2) ?
O2 C1 . 1.307(2) ?
O3 C6' . 1.336(2) ?
O3 N2 . 1.336(2) ?
O4 N2' . 1.320(2) ?
O4 C6 . 1.320(2) ?
N1 C1 . 1.356(3) ?
N1 C5 . 1.363(3) ?
C1 C2 . 1.384(3) ?
N2 C6 . 1.353(3) ?
N2 C10 . 1.367(3) ?
C6 C7 . 1.384(3) ?
N1' C1' . 1.356(3) ?
N1' C2 . 1.384(3) ?
C1' C5 . 1.363(3) ?
N2' C6' . 1.353(3) ?
N2' C7 . 1.384(3) ?
C6' C10 . 1.367(3) ?
C2 C3 . 1.376(3) ?
C2 H2 . 0.9500 ?
C3 C4 . 1.396(3) ?
C3 H3 . 0.9500 ?
C4 C5 . 1.372(3) ?
C4 H4 . 0.9500 ?
C5 H5 . 0.9500 ?
C7 C8 . 1.374(3) ?
C7 H7 . 0.9500 ?
C8 C9 . 1.395(3) ?
C8 H8 . 0.9500 ?
C9 C10 . 1.373(3) ?
C9 H9 . 0.9500 ?
C10 H10 . 0.9500 ?
C11 C12 . 1.396(3) ?
C11 C16 . 1.406(3) ?
C12 C13 . 1.399(3) ?
C12 H12 . 0.9500 ?
C13 C14 . 1.398(3) ?
C13 H13 . 0.9500 ?
C14 C15 . 1.387(3) ?
C14 C17 . 1.508(3) ?
C15 C16 . 1.400(3) ?
C15 H15 . 0.9500 ?
C16 H16 . 0.9500 ?
C17 H17A . 0.9800 ?
C17 H17B . 0.9800 ?
C17 H17C . 0.9800 ?
C18 C23 . 1.395(3) ?
C18 C19 . 1.401(3) ?
C19 C20 . 1.395(3) ?
C19 H19 . 0.9500 ?
C20 C21 . 1.395(3) ?
C20 H20 . 0.9500 ?
C21 C22 . 1.385(3) ?
C21 C24 . 1.511(3) ?
C22 C23 . 1.395(3) ?
C22 H22 . 0.9500 ?
C23 H23 . 0.9500 ?
C24 H24A . 0.9800 ?
C24 H24B . 0.9800 ?
C24 H24C . 0.9800 ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O3 Si1 O1 C1' . . . . -41.7(3) ?
O4 Si1 O1 C1' . . . . -86.26(13) ?
C11 Si1 O1 C1' . . . . -175.52(13) ?
O2 Si1 O1 C1' . . . . -2.61(12) ?
C18 Si1 O1 C1' . . . . 86.02(13) ?
O3 Si1 O1 N1 . . . . -41.7(3) ?
O4 Si1 O1 N1 . . . . -86.26(13) ?
C11 Si1 O1 N1 . . . . -175.52(13) ?
O2 Si1 O1 N1 . . . . -2.61(12) ?
C18 Si1 O1 N1 . . . . 86.02(13) ?
O1 Si1 O3 C6' . . . . -44.8(3) ?
O4 Si1 O3 C6' . . . . -0.04(12) ?
C11 Si1 O3 C6' . . . . 88.43(13) ?
O2 Si1 O3 C6' . . . . -83.73(12) ?
C18 Si1 O3 C6' . . . . -173.18(13) ?
O1 Si1 O3 N2 . . . . -44.8(3) ?
O4 Si1 O3 N2 . . . . -0.04(12) ?
C11 Si1 O3 N2 . . . . 88.43(13) ?
O2 Si1 O3 N2 . . . . -83.73(12) ?
C18 Si1 O3 N2 . . . . -173.18(13) ?
Si1 O1 N1 C1 . . . . 2.8(2) ?
Si1 O1 N1 C5 . . . . -176.97(15) ?
Si1 O2 C1 N1 . . . . -1.0(2) ?
Si1 O2 C1 C2 . . . . 179.15(16) ?
O1 N1 C1 O2 . . . . -1.1(2) ?
C5 N1 C1 O2 . . . . 178.70(17) ?
O1 N1 C1 C2 . . . . 178.76(17) ?
C5 N1 C1 C2 . . . . -1.5(3) ?
Si1 O3 N2 C6 . . . . 0.1(2) ?
Si1 O3 N2 C10 . . . . 178.91(14) ?
Si1 O4 C6 N2 . . . . 0.1(2) ?
Si1 O4 C6 C7 . . . . -178.56(15) ?
O3 N2 C6 O4 . . . . -0.1(2) ?
C10 N2 C6 O4 . . . . -178.92(17) ?
O3 N2 C6 C7 . . . . 178.59(16) ?
C10 N2 C6 C7 . . . . -0.2(3) ?
Si1 O2 N1' C1' . . . . -1.0(2) ?
Si1 O2 N1' C2 . . . . 179.15(16) ?
Si1 O1 C1' N1' . . . . 2.8(2) ?
Si1 O1 C1' C5 . . . . -176.97(15) ?
O2 N1' C1' O1 . . . . -1.1(2) ?
C2 N1' C1' O1 . . . . 178.76(16) ?
O2 N1' C1' C5 . . . . 178.70(17) ?
C2 N1' C1' C5 . . . . -1.5(3) ?
Si1 O4 N2' C6' . . . . 0.1(2) ?
Si1 O4 N2' C7 . . . . -178.56(15) ?
Si1 O3 C6' N2' . . . . 0.1(2) ?
Si1 O3 C6' C10 . . . . 178.91(14) ?
O4 N2' C6' O3 . . . . -0.1(2) ?
C7 N2' C6' O3 . . . . 178.59(16) ?
O4 N2' C6' C10 . . . . -178.92(17) ?
C7 N2' C6' C10 . . . . -0.2(3) ?
O2 C1 C2 C3 . . . . -179.47(18) ?
N1 C1 C2 C3 . . . . 0.7(3) ?
O2 N1' C2 C3 . . . . -179.47(18) ?
C1' N1' C2 C3 . . . . 0.7(3) ?
C1 C2 C3 C4 . . . . 0.2(3) ?
N1' C2 C3 C4 . . . . 0.2(3) ?
C2 C3 C4 C5 . . . . -0.5(3) ?
O1 C1' C5 C4 . . . . -179.03(18) ?
N1' C1' C5 C4 . . . . 1.2(3) ?
O1 N1 C5 C4 . . . . -179.03(18) ?
C1 N1 C5 C4 . . . . 1.2(3) ?
C3 C4 C5 C1' . . . . -0.2(3) ?
C3 C4 C5 N1 . . . . -0.2(3) ?
O4 C6 C7 C8 . . . . 178.41(18) ?
N2 C6 C7 C8 . . . . -0.1(3) ?
O4 N2' C7 C8 . . . . 178.41(18) ?
C6' N2' C7 C8 . . . . -0.1(3) ?
C6 C7 C8 C9 . . . . 0.1(3) ?
N2' C7 C8 C9 . . . . 0.1(3) ?
C7 C8 C9 C10 . . . . 0.3(3) ?
O3 C6' C10 C9 . . . . -178.11(18) ?
N2' C6' C10 C9 . . . . 0.6(3) ?
O3 N2 C10 C9 . . . . -178.11(18) ?
C6 N2 C10 C9 . . . . 0.6(3) ?
C8 C9 C10 C6' . . . . -0.7(3) ?
C8 C9 C10 N2 . . . . -0.7(3) ?
C16 C11 C12 C13 . . . . -1.1(3) ?
Si1 C11 C12 C13 . . . . -178.69(16) ?
C11 C12 C13 C14 . . . . 0.7(3) ?
C12 C13 C14 C15 . . . . -0.3(3) ?
C12 C13 C14 C17 . . . . 179.1(2) ?
C13 C14 C15 C16 . . . . 0.3(3) ?
C17 C14 C15 C16 . . . . -179.0(2) ?
C14 C15 C16 C11 . . . . -0.8(3) ?
C12 C11 C16 C15 . . . . 1.1(3) ?
Si1 C11 C16 C15 . . . . 178.77(16) ?
C23 C18 C19 C20 . . . . -2.3(3) ?
Si1 C18 C19 C20 . . . . 178.54(17) ?
C18 C19 C20 C21 . . . . -0.2(3) ?
C19 C20 C21 C22 . . . . 2.5(3) ?
C19 C20 C21 C24 . . . . -175.9(2) ?
C20 C21 C22 C23 . . . . -2.4(3) ?
C24 C21 C22 C23 . . . . 176.0(2) ?
C19 C18 C23 C22 . . . . 2.5(3) ?
Si1 C18 C23 C22 . . . . -178.35(16) ?
C21 C22 C23 C18 . . . . -0.2(3) ?
