#------------------------------------------------------------------------------
#$Date: 2025-07-06 17:14:47 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300602 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/43/1574304.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_1574304
loop_
_publ_author_name
'Krischer, Felix'
'Mayer, Stephan'
'Hensle, Lennart'
'Knyszek, Daniel'
'Darmandeh, Heidar'
'Gessner, Viktoria H.'
_publ_section_title
;
 Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for
 the stabilization of silicon-element multiple bonds
;
_journal_issue                   19
_journal_name_full               'Chemical Science'
_journal_page_first              8346
_journal_page_last               8356
_journal_paper_doi               10.1039/D5SC01812A
_journal_volume                  16
_journal_year                    2025
_chemical_formula_moiety         'C48 H48 N5 P Si'
_chemical_formula_sum            'C48 H48 N5 P Si'
_chemical_formula_weight         753.97
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-06-06
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2024-06-28 deposited with the CCDC.	2025-03-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.3050(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.4704(2)
_cell_length_b                   8.81830(10)
_cell_length_c                   23.8065(2)
_cell_measurement_reflns_used    21214
_cell_measurement_temperature    109(2)
_cell_measurement_theta_max      76.5600
_cell_measurement_theta_min      2.6030
_cell_volume                     4145.00(7)
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      109(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     48.00  73.00   0.50    0.22    --   47.28  73.00 -62.00   50
  2  ω    138.00 164.00   0.50    0.88    --  105.91  73.00 -62.00   52
  3  ω     85.00 110.00   0.50    0.88    --  105.91  73.00 -62.00   50
  4  ω     96.00 176.00   0.50    0.88    --  105.91  30.00 -90.00  160
  5  ω     97.00 176.00   0.50    0.88    --  105.91  15.00-120.00  158
  6  ω     35.00 108.00   0.50    0.88    --  105.91-125.00-180.00  146
  7  ω     39.00  64.00   0.50    0.88    --  105.91-125.00  90.00   50
  8  ω     82.00 108.00   0.50    0.88    --  105.91-125.00  90.00   52
  9  ω     33.00  95.00   0.50    0.88    --  105.91 -73.00 168.00  124
 10  ω     -7.00  26.00   0.50    0.22    --   47.28 -73.00 168.00   66
 11  ω     29.00  56.00   0.50    0.22    --   47.28 -73.00 168.00   54
 12  ω     33.00  71.00   0.50    0.88    --  105.91 -61.00  90.00   76
 13  ω     45.00  70.00   0.50    0.88    --  105.91 -61.00 -60.00   50
 14  ω     33.00  73.00   0.50    0.88    --  105.91 -61.00-150.00   80
 15  ω    -68.00  22.00   0.50    0.22    --  -47.28  73.00 -62.00  180
 16  ω    -79.00 -19.00   0.50    0.88    --  -91.75  73.00 -62.00  120
 17  ω    -48.00 -23.00   0.50    0.88    --  -91.75  45.00  60.00   50
 18  ω    -54.00 -20.00   0.50    0.88    --  -91.75  61.00  90.00   68
 19  ω    -45.00 -20.00   0.50    0.88    --  -91.75  45.00 150.00   50
 20  ω    -47.00 -21.00   0.50    0.88    --  -91.75  45.00 120.00   52
 21  ω    -48.00 -22.00   0.50    0.88    --  -91.75  45.00  90.00   52
 22  ω    -48.00 -21.00   0.50    0.88    --  -91.75  45.00 -90.00   54
 23  ω    -78.00 -53.00   0.50    0.88    --  -91.75 125.00-180.00   50
 24  ω   -117.00 -74.00   0.50    0.22    --  -47.28-125.00 -60.00   86
 25  ω   -103.00 -76.00   0.50    0.22    --  -47.28-125.00  60.00   54
 26  ω   -149.00 -93.00   0.50    0.88    --  -91.75 -73.00 168.00  112
 27  ω   -106.00 -26.00   0.50    0.22    --  -47.28 -73.00 168.00  160
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0365238000
_diffrn_orient_matrix_UB_12      -0.0848738000
_diffrn_orient_matrix_UB_13      0.0394449000
_diffrn_orient_matrix_UB_21      -0.0289933000
_diffrn_orient_matrix_UB_22      -0.1135681000
_diffrn_orient_matrix_UB_23      -0.0495042000
_diffrn_orient_matrix_UB_31      0.0625227000
_diffrn_orient_matrix_UB_32      -0.1022696000
_diffrn_orient_matrix_UB_33      0.0221878000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0402
_diffrn_reflns_av_sigmaI/netI    0.0591
_diffrn_reflns_av_unetI/netI     0.0333
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            31602
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         67.994
_diffrn_reflns_theta_min         3.315
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    1.164
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.467
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.208
_exptl_crystal_description       block
_exptl_crystal_F_000             1600
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.348
_refine_diff_density_min         -0.306
_refine_diff_density_rms         0.040
_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     502
_refine_ls_number_reflns         7555
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0349
_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)+(0.0402P)²+1.7931P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0879
_refine_ls_wR_factor_ref         0.0904
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6812
_reflns_number_total             7555
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5sc01812a2.cif
_cod_data_source_block           LH-477_a
_cod_depositor_comments
'Adding full bibliography for 1574297--1574307.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1574304
_shelx_shelxl_version_number     2019/3
_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.
;
_shelx_estimated_absorpt_t_min   0.714
_shelx_estimated_absorpt_t_max   0.913
_cell_oxdiff_length_a            20.4786(4)
_cell_oxdiff_length_b            8.81252(17)
_cell_oxdiff_length_c            23.8139(5)
_cell_oxdiff_angle_alpha         90.0266(16)
_cell_oxdiff_angle_beta          105.3157(17)
_cell_oxdiff_angle_gamma         89.9866(16)
_cell_oxdiff_volume              4145.02(14)
_cell_oxdiff_measurement_reflns_used 21216
_oxdiff_exptl_absorpt_empirical_full_min 0.533
_oxdiff_exptl_absorpt_empirical_full_max 1.528
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_diffrn_oxdiff_digest_frames
;
01f3d3498ade47fff4e79fe96b025ac35c022566050
;
_diffrn_oxdiff_digest_hkl
;
01a94a2977d6cb598f931777d1e32b749da0fc
;
_reflns_odcompleteness_completeness 99.96
_reflns_odcompleteness_theta     66.97
_reflns_odcompleteness_iscentric 1
_chemical_oxdiff_formula         'C48 H50 N5 P Si'
loop_
_space_group_symop_operation_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_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
P1 P 0.56381(2) 0.36639(4) 0.38945(2) 0.01781(9) Uani 1 1 d . . . . .
Si1 Si 0.53994(2) 0.31006(4) 0.25525(2) 0.01808(9) Uani 1 1 d . . . . .
N1 N 0.52823(6) 0.13503(12) 0.21167(5) 0.0201(2) Uani 1 1 d . . . . .
N2 N 0.59694(6) 0.31585(12) 0.20828(5) 0.0196(2) Uani 1 1 d . . . . .
N3 N 0.70028(7) 0.15201(17) 0.34300(6) 0.0376(3) Uani 1 1 d . . . . .
N4 N 0.47453(6) 0.42701(13) 0.24638(5) 0.0221(2) Uani 1 1 d . . . . .
N5 N 0.44783(6) 0.45954(13) 0.18800(5) 0.0209(2) Uani 1 1 d . . . . .
C4 C 0.60628(8) 0.65225(17) 0.37042(7) 0.0298(3) Uani 1 1 d . . . . .
H4 H 0.644204 0.600336 0.363748 0.036 Uiso 1 1 calc R U . . .
C5 C 0.60357(9) 0.80928(17) 0.36767(7) 0.0362(4) Uani 1 1 d . . . . .
H5 H 0.639816 0.865143 0.359761 0.043 Uiso 1 1 calc R U . . .
C1 C 0.58633(7) 0.28537(14) 0.33109(6) 0.0194(3) Uani 1 1 d . . . . .
C2 C 0.64917(7) 0.21311(15) 0.33951(6) 0.0229(3) Uani 1 1 d . . . . .
C3 C 0.55355(7) 0.57010(15) 0.38295(6) 0.0223(3) Uani 1 1 d . . . . .
C6 C 0.54783(9) 0.88387(17) 0.37651(7) 0.0372(4) Uani 1 1 d . . . . .
H6 H 0.545509 0.991326 0.373879 0.045 Uiso 1 1 calc R U . . .
C7 C 0.49535(9) 0.80404(17) 0.38915(7) 0.0349(4) Uani 1 1 d . . . . .
H7 H 0.457291 0.856677 0.395210 0.042 Uiso 1 1 calc R U . . .
C8 C 0.49826(8) 0.64596(16) 0.39301(6) 0.0271(3) Uani 1 1 d . . . . .
H8 H 0.462712 0.590833 0.402447 0.033 Uiso 1 1 calc R U . . .
C9 C 0.62904(7) 0.33773(15) 0.45679(6) 0.0211(3) Uani 1 1 d . . . . .
C10 C 0.64464(8) 0.45467(16) 0.49787(6) 0.0273(3) Uani 1 1 d . . . . .
H10 H 0.621137 0.548494 0.490338 0.033 Uiso 1 1 calc R U . . .
C11 C 0.69431(8) 0.43383(18) 0.54951(7) 0.0331(3) Uani 1 1 d . . . . .
H11 H 0.704475 0.513126 0.577480 0.040 Uiso 1 1 calc R U . . .
C12 C 0.72920(8) 0.29784(18) 0.56053(6) 0.0311(3) Uani 1 1 d . . . . .
H12 H 0.764443 0.285400 0.595296 0.037 Uiso 1 1 calc R U . . .
C13 C 0.71270(8) 0.18001(17) 0.52085(6) 0.0280(3) Uani 1 1 d . . . . .
H13 H 0.735795 0.085828 0.528968 0.034 Uiso 1 1 calc R U . . .
C14 C 0.66254(7) 0.19910(16) 0.46928(6) 0.0245(3) Uani 1 1 d . . . . .
H14 H 0.650976 0.117552 0.442403 0.029 Uiso 1 1 calc R U . . .
C15 C 0.48617(7) 0.29050(14) 0.40119(6) 0.0205(3) Uani 1 1 d . . . . .
C16 C 0.42629(7) 0.30267(16) 0.35665(6) 0.0236(3) Uani 1 1 d . . . . .
H16 H 0.426229 0.353977 0.321549 0.028 Uiso 1 1 calc R U . . .
C17 C 0.36692(7) 0.23964(17) 0.36382(7) 0.0282(3) Uani 1 1 d . . . . .
H17 H 0.326054 0.249004 0.333772 0.034 Uiso 1 1 calc R U . . .
C18 C 0.36706(8) 0.16292(17) 0.41477(7) 0.0294(3) Uani 1 1 d . . . . .
H18 H 0.326525 0.117832 0.419104 0.035 Uiso 1 1 calc R U . . .
C19 C 0.42598(8) 0.15197(18) 0.45918(7) 0.0303(3) Uani 1 1 d . . . . .
H19 H 0.425714 0.100480 0.494170 0.036 Uiso 1 1 calc R U . . .
C20 C 0.48567(7) 0.21610(16) 0.45281(6) 0.0255(3) Uani 1 1 d . . . . .
H20 H 0.526037 0.209275 0.483538 0.031 Uiso 1 1 calc R U . . .
C21 C 0.57365(7) 0.18337(15) 0.18401(6) 0.0192(3) Uani 1 1 d . . . . .
C22 C 0.59593(7) 0.10217(16) 0.13751(6) 0.0247(3) Uani 1 1 d . . . . .
C23 C 0.64620(8) -0.00738(18) 0.15356(8) 0.0352(4) Uani 1 1 d . . . . .
H23 H 0.664757 -0.031813 0.193458 0.042 Uiso 1 1 calc R U . . .
C24 C 0.66919(10) -0.0812(2) 0.11058(11) 0.0533(6) Uani 1 1 d . . . . .
H24 H 0.703753 -0.155726 0.121227 0.064 Uiso 1 1 calc R U . . .
C25 C 0.64178(12) -0.0460(2) 0.05251(11) 0.0605(6) Uani 1 1 d . . . . .
H25 H 0.657520 -0.096672 0.023379 0.073 Uiso 1 1 calc R U . . .
C26 C 0.59183(12) 0.0621(2) 0.03674(8) 0.0526(5) Uani 1 1 d . . . . .
H26 H 0.573225 0.085631 -0.003232 0.063 Uiso 1 1 calc R U . . .
C27 C 0.56844(9) 0.13706(19) 0.07897(7) 0.0343(4) Uani 1 1 d . . . . .
H27 H 0.533924 0.211627 0.067977 0.041 Uiso 1 1 calc R U . . .
C28 C 0.47664(7) 0.01322(16) 0.19508(6) 0.0241(3) Uani 1 1 d . . . . .
C29 C 0.43172(9) 0.0400(2) 0.13356(7) 0.0433(4) Uani 1 1 d . . . . .
H29A H 0.394587 -0.033697 0.125041 0.065 Uiso 1 1 calc R U . . .
H29B H 0.458700 0.028087 0.105421 0.065 Uiso 1 1 calc R U . . .
H29C H 0.413062 0.142955 0.130781 0.065 Uiso 1 1 calc R U . . .
C30 C 0.43267(8) 0.02668(17) 0.23755(7) 0.0291(3) Uani 1 1 d . . . . .
H30A H 0.398138 -0.053134 0.229367 0.044 Uiso 1 1 calc R U . . .
H30B H 0.410573 0.126181 0.233045 0.044 Uiso 1 1 calc R U . . .
H30C H 0.461057 0.015649 0.277510 0.044 Uiso 1 1 calc R U . . .
C31 C 0.51010(9) -0.14210(18) 0.20080(9) 0.0410(4) Uani 1 1 d . . . . .
H31A H 0.536096 -0.152112 0.171833 0.062 Uiso 1 1 calc R U . . .
H31B H 0.475205 -0.221049 0.194295 0.062 Uiso 1 1 calc R U . . .
H31C H 0.540543 -0.153208 0.239962 0.062 Uiso 1 1 calc R U . . .
C32 C 0.64549(7) 0.42528(16) 0.19444(6) 0.0237(3) Uani 1 1 d . . . . .
C33 C 0.61225(9) 0.50319(18) 0.13685(7) 0.0355(4) Uani 1 1 d . . . . .
H33A H 0.642728 0.581290 0.128975 0.053 Uiso 1 1 calc R U . . .
H33B H 0.569668 0.550275 0.139138 0.053 Uiso 1 1 calc R U . . .
H33C H 0.602987 0.428090 0.105386 0.053 Uiso 1 1 calc R U . . .
C34 C 0.65896(8) 0.54283(17) 0.24298(7) 0.0323(3) Uani 1 1 d . . . . .
H34A H 0.687127 0.624385 0.234013 0.048 Uiso 1 1 calc R U . . .
H34B H 0.682568 0.494755 0.279871 0.048 Uiso 1 1 calc R U . . .
H34C H 0.615846 0.585010 0.246316 0.048 Uiso 1 1 calc R U . . .
C35 C 0.71148(8) 0.34851(19) 0.19323(9) 0.0388(4) Uani 1 1 d . . . . .
H35A H 0.744461 0.425424 0.189109 0.058 Uiso 1 1 calc R U . . .
H35B H 0.703330 0.278235 0.160212 0.058 Uiso 1 1 calc R U . . .
H35C H 0.729242 0.292325 0.229574 0.058 Uiso 1 1 calc R U . . .
C36 C 0.38819(7) 0.52121(15) 0.17196(6) 0.0204(3) Uani 1 1 d . . . . .
C37 C 0.36261(7) 0.55676(16) 0.10908(6) 0.0227(3) Uani 1 1 d . . . . .
C38 C 0.38740(8) 0.47806(19) 0.06778(7) 0.0309(3) Uani 1 1 d . . . . .
H38 H 0.420602 0.401311 0.080400 0.037 Uiso 1 1 calc R U . . .
C39 C 0.36427(9) 0.5104(2) 0.00894(7) 0.0398(4) Uani 1 1 d . . . . .
H39 H 0.381377 0.455040 -0.018343 0.048 Uiso 1 1 calc R U . . .
C40 C 0.31618(9) 0.6233(2) -0.01049(7) 0.0388(4) Uani 1 1 d . . . . .
H40 H 0.300167 0.645090 -0.050879 0.047 Uiso 1 1 calc R U . . .
C41 C 0.29191(8) 0.70361(18) 0.02981(7) 0.0332(3) Uani 1 1 d . . . . .
H41 H 0.259674 0.782172 0.016964 0.040 Uiso 1 1 calc R U . . .
C42 C 0.31433(7) 0.67026(16) 0.08890(6) 0.0264(3) Uani 1 1 d . . . . .
H42 H 0.296639 0.725236 0.115907 0.032 Uiso 1 1 calc R U . . .
C43 C 0.34429(7) 0.54889(15) 0.21182(6) 0.0209(3) Uani 1 1 d . . . . .
C44 C 0.27917(7) 0.48833(17) 0.19834(6) 0.0260(3) Uani 1 1 d . . . . .
H44 H 0.262518 0.435162 0.162717 0.031 Uiso 1 1 calc R U . . .
C45 C 0.23816(7) 0.50427(18) 0.23604(7) 0.0303(3) Uani 1 1 d . . . . .
H45 H 0.193961 0.461688 0.226216 0.036 Uiso 1 1 calc R U . . .
C46 C 0.26159(8) 0.58198(18) 0.28779(7) 0.0296(3) Uani 1 1 d . . . . .
H46 H 0.233583 0.593302 0.313612 0.036 Uiso 1 1 calc R U . . .
C47 C 0.32628(8) 0.64346(17) 0.30188(6) 0.0283(3) Uani 1 1 d . . . . .
H47 H 0.342437 0.697362 0.337390 0.034 Uiso 1 1 calc R U . . .
C48 C 0.36762(7) 0.62673(15) 0.26437(6) 0.0238(3) Uani 1 1 d . . . . .
H48 H 0.411968 0.668492 0.274566 0.029 Uiso 1 1 calc R U . . .
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'
N N 0.0311 0.0180 '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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
10 0 6 0.0583
-2 5 5 0.1854
-6 0 -11 0.0699
6 0 11 0.0287
-1 3 13 0.0925
0 -3 -13 0.0959
-2 0 -14 0.0715
-1 1 15 0.0105
3 -1 13 0.0034
1 -1 -15 0.0920
1 -4 11 0.0500
-11 -1 12 0.0271
12 0 -11 0.1116
-3 4 -10 0.1790
-13 0 3 0.0492
-1 5 -6 0.2087
13 0 -3 0.0852
-11 0 -4 0.0508
0 -6 -3 0.0884
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
C1 P1 C3 113.00(6) . . ?
C1 P1 C15 113.69(6) . . ?
C3 P1 C15 107.02(6) . . ?
C1 P1 C9 111.25(6) . . ?
C3 P1 C9 104.81(6) . . ?
C15 P1 C9 106.46(6) . . ?
N4 Si1 N2 122.13(6) . . ?
N4 Si1 C1 113.17(6) . . ?
N2 Si1 C1 111.26(6) . . ?
N4 Si1 N1 117.98(6) . . ?
N2 Si1 N1 71.69(5) . . ?
C1 Si1 N1 114.57(6) . . ?
N4 Si1 C21 126.97(5) . . ?
N2 Si1 C21 35.72(5) . . ?
C1 Si1 C21 119.86(5) . . ?
N1 Si1 C21 36.00(5) . . ?
C21 N1 C28 129.43(11) . . ?
C21 N1 Si1 90.35(8) . . ?
C28 N1 Si1 137.27(9) . . ?
C21 N2 C32 131.09(11) . . ?
C21 N2 Si1 91.59(8) . . ?
C32 N2 Si1 137.01(9) . . ?
N5 N4 Si1 110.41(9) . . ?
C36 N5 N4 118.30(11) . . ?
C5 C4 C3 120.30(15) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C6 C5 C4 119.54(16) . . ?
C6 C5 H5 120.2 . . ?
C4 C5 H5 120.2 . . ?
C2 C1 P1 120.14(10) . . ?
C2 C1 Si1 114.55(10) . . ?
P1 C1 Si1 124.63(8) . . ?
N3 C2 C1 176.03(15) . . ?
C8 C3 C4 119.88(13) . . ?
C8 C3 P1 123.00(11) . . ?
C4 C3 P1 117.02(11) . . ?
C5 C6 C7 120.77(14) . . ?
C5 C6 H6 119.6 . . ?
C7 C6 H6 119.6 . . ?
C6 C7 C8 120.02(15) . . ?
C6 C7 H7 120.0 . . ?
C8 C7 H7 120.0 . . ?
C3 C8 C7 119.45(15) . . ?
C3 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
C14 C9 C10 119.25(13) . . ?
C14 C9 P1 121.10(10) . . ?
C10 C9 P1 119.62(11) . . ?
C11 C10 C9 120.08(13) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C12 C11 C10 120.26(14) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C13 C12 C11 119.99(14) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C13 C14 120.20(14) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C13 C14 C9 120.15(13) . . ?
C13 C14 H14 119.9 . . ?
C9 C14 H14 119.9 . . ?
C20 C15 C16 119.70(13) . . ?
C20 C15 P1 121.32(11) . . ?
C16 C15 P1 118.94(10) . . ?
C17 C16 C15 119.83(13) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C16 C17 C18 120.20(14) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C19 C18 C17 120.18(14) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C18 C19 C20 120.19(14) . . ?
C18 C19 H19 119.9 . . ?
C20 C19 H19 119.9 . . ?
C19 C20 C15 119.88(13) . . ?
C19 C20 H20 120.1 . . ?
C15 C20 H20 120.1 . . ?
N2 C21 N1 106.27(11) . . ?
N2 C21 C22 126.79(12) . . ?
N1 C21 C22 126.88(12) . . ?
N2 C21 Si1 52.69(7) . . ?
N1 C21 Si1 53.65(7) . . ?
C22 C21 Si1 179.46(11) . . ?
C23 C22 C27 120.21(14) . . ?
C23 C22 C21 118.70(14) . . ?
C27 C22 C21 121.07(13) . . ?
C22 C23 C24 119.43(18) . . ?
C22 C23 H23 120.3 . . ?
C24 C23 H23 120.3 . . ?
C25 C24 C23 120.14(19) . . ?
C25 C24 H24 119.9 . . ?
C23 C24 H24 119.9 . . ?
C26 C25 C24 120.29(17) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
C25 C26 C27 120.4(2) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
C26 C27 C22 119.57(18) . . ?
C26 C27 H27 120.2 . . ?
C22 C27 H27 120.2 . . ?
N1 C28 C31 110.84(12) . . ?
N1 C28 C30 105.67(11) . . ?
C31 C28 C30 109.95(12) . . ?
N1 C28 C29 110.41(12) . . ?
C31 C28 C29 111.59(14) . . ?
C30 C28 C29 108.18(13) . . ?
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 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N2 C32 C35 111.46(12) . . ?
N2 C32 C34 105.79(11) . . ?
C35 C32 C34 109.53(13) . . ?
N2 C32 C33 109.08(12) . . ?
C35 C32 C33 111.84(13) . . ?
C34 C32 C33 108.93(12) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C32 C35 H35A 109.5 . . ?
C32 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C32 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
N5 C36 C37 116.06(12) . . ?
N5 C36 C43 124.05(12) . . ?
C37 C36 C43 119.79(11) . . ?
C42 C37 C38 117.80(13) . . ?
C42 C37 C36 121.79(13) . . ?
C38 C37 C36 120.40(13) . . ?
C39 C38 C37 121.11(15) . . ?
C39 C38 H38 119.4 . . ?
C37 C38 H38 119.4 . . ?
C38 C39 C40 120.44(16) . . ?
C38 C39 H39 119.8 . . ?
C40 C39 H39 119.8 . . ?
C41 C40 C39 119.16(15) . . ?
C41 C40 H40 120.4 . . ?
C39 C40 H40 120.4 . . ?
C40 C41 C42 120.61(15) . . ?
C40 C41 H41 119.7 . . ?
C42 C41 H41 119.7 . . ?
C41 C42 C37 120.86(14) . . ?
C41 C42 H42 119.6 . . ?
C37 C42 H42 119.6 . . ?
C44 C43 C48 118.38(13) . . ?
C44 C43 C36 119.48(12) . . ?
C48 C43 C36 122.04(12) . . ?
C45 C44 C43 121.16(13) . . ?
C45 C44 H44 119.4 . . ?
C43 C44 H44 119.4 . . ?
C46 C45 C44 120.02(14) . . ?
C46 C45 H45 120.0 . . ?
C44 C45 H45 120.0 . . ?
C45 C46 C47 119.62(14) . . ?
C45 C46 H46 120.2 . . ?
C47 C46 H46 120.2 . . ?
C46 C47 C48 120.46(14) . . ?
C46 C47 H47 119.8 . . ?
C48 C47 H47 119.8 . . ?
C47 C48 C43 120.36(13) . . ?
C47 C48 H48 119.8 . . ?
C43 C48 H48 119.8 . . ?
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
P1 C1 1.7295(13) . ?
P1 C3 1.8105(14) . ?
P1 C15 1.8128(14) . ?
P1 C9 1.8130(14) . ?
Si1 N4 1.6587(12) . ?
Si1 N2 1.8175(11) . ?
Si1 C1 1.8177(13) . ?
Si1 N1 1.8398(11) . ?
Si1 C21 2.2844(14) . ?
N1 C21 1.3427(17) . ?
N1 C28 1.4849(17) . ?
N2 C21 1.3342(17) . ?
N2 C32 1.4833(17) . ?
N3 C2 1.1601(19) . ?
N4 N5 1.3825(16) . ?
N5 C36 1.2985(18) . ?
C4 C5 1.387(2) . ?
C4 C3 1.396(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.380(3) . ?
C5 H5 0.9500 . ?
C1 C2 1.4016(19) . ?
C3 C8 1.389(2) . ?
C6 C7 1.382(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.397(2) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C14 1.3948(19) . ?
C9 C10 1.399(2) . ?
C10 C11 1.385(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.385(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.385(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.387(2) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C20 1.3954(19) . ?
C15 C16 1.397(2) . ?
C16 C17 1.387(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.388(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.382(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.391(2) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.4877(19) . ?
C22 C23 1.389(2) . ?
C22 C27 1.393(2) . ?
C23 C24 1.395(2) . ?
C23 H23 0.9500 . ?
C24 C25 1.383(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.376(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.390(2) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 C31 1.521(2) . ?
C28 C30 1.525(2) . ?
C28 C29 1.528(2) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C35 1.518(2) . ?
C32 C34 1.522(2) . ?
C32 C33 1.524(2) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C37 1.4832(19) . ?
C36 C43 1.4891(19) . ?
C37 C42 1.399(2) . ?
C37 C38 1.403(2) . ?
C38 C39 1.385(2) . ?
C38 H38 0.9500 . ?
C39 C40 1.391(2) . ?
C39 H39 0.9500 . ?
C40 C41 1.386(2) . ?
C40 H40 0.9500 . ?
C41 C42 1.391(2) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C44 1.393(2) . ?
C43 C48 1.396(2) . ?
C44 C45 1.389(2) . ?
C44 H44 0.9500 . ?
C45 C46 1.380(2) . ?
C45 H45 0.9500 . ?
C46 C47 1.388(2) . ?
C46 H46 0.9500 . ?
C47 C48 1.391(2) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
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
N4 Si1 N1 C21 115.30(8) . . . . ?
N2 Si1 N1 C21 -2.00(7) . . . . ?
C1 Si1 N1 C21 -107.58(9) . . . . ?
N4 Si1 N1 C28 -45.21(15) . . . . ?
N2 Si1 N1 C28 -162.50(14) . . . . ?
C1 Si1 N1 C28 91.91(14) . . . . ?
C21 Si1 N1 C28 -160.51(18) . . . . ?
N4 Si1 N2 C21 -110.05(9) . . . . ?
C1 Si1 N2 C21 111.96(8) . . . . ?
N1 Si1 N2 C21 2.01(8) . . . . ?
N4 Si1 N2 C32 63.66(15) . . . . ?
C1 Si1 N2 C32 -74.33(14) . . . . ?
N1 Si1 N2 C32 175.73(14) . . . . ?
C21 Si1 N2 C32 173.72(18) . . . . ?
N2 Si1 N4 N5 33.47(11) . . . . ?
C1 Si1 N4 N5 170.74(8) . . . . ?
N1 Si1 N4 N5 -51.57(10) . . . . ?
C21 Si1 N4 N5 -9.88(12) . . . . ?
Si1 N4 N5 C36 165.03(10) . . . . ?
C3 C4 C5 C6 -1.0(2) . . . . ?
C3 P1 C1 C2 115.96(11) . . . . ?
C15 P1 C1 C2 -121.80(11) . . . . ?
C9 P1 C1 C2 -1.63(13) . . . . ?
C3 P1 C1 Si1 -54.09(11) . . . . ?
C15 P1 C1 Si1 68.15(10) . . . . ?
C9 P1 C1 Si1 -171.68(8) . . . . ?
N4 Si1 C1 C2 -167.62(10) . . . . ?
N2 Si1 C1 C2 -25.68(12) . . . . ?
N1 Si1 C1 C2 53.20(12) . . . . ?
C21 Si1 C1 C2 12.96(12) . . . . ?
N4 Si1 C1 P1 2.93(11) . . . . ?
N2 Si1 C1 P1 144.87(8) . . . . ?
N1 Si1 C1 P1 -136.25(8) . . . . ?
C21 Si1 C1 P1 -176.50(7) . . . . ?
C5 C4 C3 C8 -0.3(2) . . . . ?
C5 C4 C3 P1 -176.77(12) . . . . ?
C1 P1 C3 C8 133.03(12) . . . . ?
C15 P1 C3 C8 7.13(13) . . . . ?
C9 P1 C3 C8 -105.66(12) . . . . ?
C1 P1 C3 C4 -50.66(13) . . . . ?
C15 P1 C3 C4 -176.56(11) . . . . ?
C9 P1 C3 C4 70.64(12) . . . . ?
C4 C5 C6 C7 1.2(2) . . . . ?
C5 C6 C7 C8 -0.1(2) . . . . ?
C4 C3 C8 C7 1.5(2) . . . . ?
P1 C3 C8 C7 177.67(11) . . . . ?
C6 C7 C8 C3 -1.2(2) . . . . ?
C1 P1 C9 C14 -41.42(13) . . . . ?
C3 P1 C9 C14 -163.87(11) . . . . ?
C15 P1 C9 C14 82.93(12) . . . . ?
C1 P1 C9 C10 140.69(12) . . . . ?
C3 P1 C9 C10 18.24(13) . . . . ?
C15 P1 C9 C10 -94.95(12) . . . . ?
C14 C9 C10 C11 2.0(2) . . . . ?
P1 C9 C10 C11 179.88(12) . . . . ?
C9 C10 C11 C12 0.6(2) . . . . ?
C10 C11 C12 C13 -2.5(2) . . . . ?
C11 C12 C13 C14 1.8(2) . . . . ?
C12 C13 C14 C9 0.8(2) . . . . ?
C10 C9 C14 C13 -2.7(2) . . . . ?
P1 C9 C14 C13 179.45(11) . . . . ?
C1 P1 C15 C20 118.21(12) . . . . ?
C3 P1 C15 C20 -116.30(12) . . . . ?
C9 P1 C15 C20 -4.63(13) . . . . ?
C1 P1 C15 C16 -59.58(12) . . . . ?
C3 P1 C15 C16 65.91(12) . . . . ?
C9 P1 C15 C16 177.58(11) . . . . ?
C20 C15 C16 C17 -0.6(2) . . . . ?
P1 C15 C16 C17 177.26(11) . . . . ?
C15 C16 C17 C18 -0.8(2) . . . . ?
C16 C17 C18 C19 1.5(2) . . . . ?
C17 C18 C19 C20 -0.8(2) . . . . ?
C18 C19 C20 C15 -0.6(2) . . . . ?
C16 C15 C20 C19 1.3(2) . . . . ?
P1 C15 C20 C19 -176.50(11) . . . . ?
C32 N2 C21 N1 -177.04(12) . . . . ?
Si1 N2 C21 N1 -2.73(10) . . . . ?
C32 N2 C21 C22 5.5(2) . . . . ?
Si1 N2 C21 C22 179.84(12) . . . . ?
C32 N2 C21 Si1 -174.32(16) . . . . ?
C28 N1 C21 N2 165.64(12) . . . . ?
Si1 N1 C21 N2 2.69(10) . . . . ?
C28 N1 C21 C22 -16.9(2) . . . . ?
Si1 N1 C21 C22 -179.87(13) . . . . ?
C28 N1 C21 Si1 162.95(15) . . . . ?
N2 C21 C22 C23 93.91(17) . . . . ?
N1 C21 C22 C23 -83.01(18) . . . . ?
N2 C21 C22 C27 -84.51(18) . . . . ?
N1 C21 C22 C27 98.56(17) . . . . ?
C27 C22 C23 C24 0.5(2) . . . . ?
C21 C22 C23 C24 -177.98(14) . . . . ?
C22 C23 C24 C25 -0.4(3) . . . . ?
C23 C24 C25 C26 0.1(3) . . . . ?
C24 C25 C26 C27 0.0(3) . . . . ?
C25 C26 C27 C22 0.0(3) . . . . ?
C23 C22 C27 C26 -0.3(2) . . . . ?
C21 C22 C27 C26 178.12(14) . . . . ?
C21 N1 C28 C31 69.75(18) . . . . ?
Si1 N1 C28 C31 -135.84(13) . . . . ?
C21 N1 C28 C30 -171.17(13) . . . . ?
Si1 N1 C28 C30 -16.77(18) . . . . ?
C21 N1 C28 C29 -54.42(19) . . . . ?
Si1 N1 C28 C29 99.98(15) . . . . ?
C21 N2 C32 C35 -53.11(19) . . . . ?
Si1 N2 C32 C35 135.24(13) . . . . ?
C21 N2 C32 C34 -172.08(13) . . . . ?
Si1 N2 C32 C34 16.26(18) . . . . ?
C21 N2 C32 C33 70.88(18) . . . . ?
Si1 N2 C32 C33 -100.78(15) . . . . ?
N4 N5 C36 C37 178.72(11) . . . . ?
N4 N5 C36 C43 -4.74(19) . . . . ?
N5 C36 C37 C42 -155.17(13) . . . . ?
C43 C36 C37 C42 28.13(19) . . . . ?
N5 C36 C37 C38 23.74(19) . . . . ?
C43 C36 C37 C38 -152.96(13) . . . . ?
C42 C37 C38 C39 -0.7(2) . . . . ?
C36 C37 C38 C39 -179.70(15) . . . . ?
C37 C38 C39 C40 0.6(3) . . . . ?
C38 C39 C40 C41 0.3(3) . . . . ?
C39 C40 C41 C42 -1.1(2) . . . . ?
C40 C41 C42 C37 1.0(2) . . . . ?
C38 C37 C42 C41 -0.1(2) . . . . ?
C36 C37 C42 C41 178.85(13) . . . . ?
N5 C36 C43 C44 -123.69(15) . . . . ?
C37 C36 C43 C44 52.73(18) . . . . ?
N5 C36 C43 C48 52.53(19) . . . . ?
C37 C36 C43 C48 -131.05(14) . . . . ?
C48 C43 C44 C45 -0.1(2) . . . . ?
C36 C43 C44 C45 176.27(13) . . . . ?
C43 C44 C45 C46 0.4(2) . . . . ?
C44 C45 C46 C47 -0.2(2) . . . . ?
C45 C46 C47 C48 -0.3(2) . . . . ?
C46 C47 C48 C43 0.5(2) . . . . ?
C44 C43 C48 C47 -0.4(2) . . . . ?
C36 C43 C48 C47 -176.62(13) . . . . ?
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
10.4852 -0.0823 5.9412 -0.1416 -0.5888 0.7958
-1.8316 5.3999 5.0252 -0.1932 -0.8089 -0.5553
-6.4710 0.1563 -11.0294 -0.2120 0.7159 -0.6653
6.4480 -0.1429 11.0518 0.2126 -0.7178 0.6630
-0.9208 3.0360 12.8728 0.2837 -0.9554 -0.0824
0.2132 -2.8050 -13.0536 -0.2846 0.9586 0.0106
-2.2281 0.3075 -13.9922 -0.4966 0.7224 -0.4812
-0.9651 0.8303 15.0068 0.5567 -0.8092 0.1877
3.1673 -0.6516 13.4074 0.4685 -0.6816 0.5622
1.4400 -0.9954 -15.0335 -0.5611 0.8155 -0.1417
0.7309 -3.5957 11.3457 0.7260 -0.1745 0.6652
-10.6685 -0.5967 12.0352 0.9150 -0.2187 -0.3390
11.6135 -0.0321 -10.8203 -0.8483 0.2026 0.4893
-3.1691 3.7753 -9.6522 -0.5854 0.1410 -0.7984
-13.2437 -0.3637 3.2013 0.6409 0.2668 -0.7198
-0.8852 5.1788 -5.9871 -0.6434 -0.2661 -0.7178
13.2162 -0.1881 -2.5379 -0.5669 -0.2362 0.7892
-11.3387 -0.3112 -4.2564 0.2726 0.5748 -0.7715
0.4820 -5.6401 -2.5701 0.3597 0.7538 0.5499
