#------------------------------------------------------------------------------
#$Date: 2024-04-04 08:43:25 +0300 (Thu, 04 Apr 2024) $
#$Revision: 290777 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/56/7715666.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_7715666
loop_
_publ_author_name
'Li, Yangjuan'
'Gong, Yu'
_publ_section_title
;
 Formation of
 N,N,N',N'-tetramethylethylenediamine
 via coupling of the two charge reversed C-N bonds of
 Me₃NO in the presence of an Eu(II) bis(trimethylsilyl)amide
 complex.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5342
_journal_page_last               5345
_journal_paper_doi               10.1039/d4dt00061g
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C30 H90 N6 O3 Si8 Yb2'
_chemical_formula_sum            'C30 H90 N6 O3 Si8 Yb2'
_chemical_formula_weight         1153.87
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_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     iterative
_audit_creation_date             2021-10-20
_audit_creation_method
;
Olex2 1.5
(compiled 2021.08.20 svn.r13c46975 for OlexSys, GUI svn.r6405)
;
_audit_update_record
;
2021-11-08 deposited with the CCDC.	2024-01-23 downloaded from the CCDC.
;
_cell_angle_alpha                118.634(5)
_cell_angle_beta                 102.460(4)
_cell_angle_gamma                90.275(4)
_cell_formula_units_Z            1
_cell_length_a                   10.6610(4)
_cell_length_b                   11.9772(5)
_cell_length_c                   12.3171(6)
_cell_measurement_reflns_used    10466
_cell_measurement_temperature    180.00(10)
_cell_measurement_theta_max      30.7570
_cell_measurement_theta_min      1.9750
_cell_volume                     1337.11(12)
_computing_cell_refinement       'CrysAlisPro 1.171.41.109a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.109a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.109a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/1 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      180.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -18.00  38.00   0.50    2.50    --    4.08 -99.00  30.00  112
  2  ω    -79.00   7.00   0.50    2.50    --   -5.96 -38.00-150.00  172
  3  ω    -78.00   7.00   0.50    2.50    --   -5.96 -42.00 -27.00  170
  4  ω    -77.00 -52.00   0.50    2.50    --   -5.96 -57.00 120.00   50
  5  ω    -18.00  66.00   0.50    2.50    --   -5.96  42.00 124.00  168
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0558595000
_diffrn_orient_matrix_UB_12      -0.0426418000
_diffrn_orient_matrix_UB_13      -0.0443000000
_diffrn_orient_matrix_UB_21      -0.0225069000
_diffrn_orient_matrix_UB_22      0.0019601000
_diffrn_orient_matrix_UB_23      0.0509676000
_diffrn_orient_matrix_UB_31      -0.0330141000
_diffrn_orient_matrix_UB_32      0.0529605000
_diffrn_orient_matrix_UB_33      0.0052318000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0353
_diffrn_reflns_av_unetI/netI     0.0372
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14154
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         1.965
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.687
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.53611
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.109a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_description       block
_exptl_crystal_F_000             588
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.427
_refine_diff_density_min         -0.910
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     232
_refine_ls_number_reflns         5340
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0372
_refine_ls_R_factor_gt           0.0334
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0599P)²+0.3812P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0889
_refine_ls_wR_factor_ref         0.0906
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4864
_reflns_number_total             5340
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt00061g2.cif
_cod_data_source_block           a
_cod_database_code               7715666
_shelx_shelxl_version_number     2018/1
_chemical_oxdiff_formula         Yb1C1N1Si1O1
_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 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N3-C13
 1.43 with sigma of 0.001
3. Rigid bond restraints
 Yb1, Si2
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
4. Uiso/Uaniso restraints and constraints
Uanis(C14) = Uanis(C13)
5. Rigid body (RIGU) restrains
 C13
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.0001
6.a Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C5(H5A,
 H5B,H5C), C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C),
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C13(H13A,H13B,
 H13C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.486
_oxdiff_exptl_absorpt_empirical_full_min 0.749
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
Yb1 Yb 0.60370(2) 0.65918(2) 0.65578(2) 0.02999(8) Uani 1 1 d . U . . .
Si1 Si 0.67528(14) 0.62464(14) 0.92509(14) 0.0423(3) Uani 1 1 d . . . . .
Si2 Si 0.87140(16) 0.56262(15) 0.77296(15) 0.0474(3) Uani 1 1 d . U . . .
Si3 Si 0.77931(12) 0.93745(11) 0.75288(13) 0.0345(3) Uani 1 1 d . . . . .
Si4 Si 0.72279(13) 0.76616(12) 0.47184(13) 0.0379(3) Uani 1 1 d . . . . .
O1 O 0.4491(4) 0.7769(4) 0.7141(5) 0.0635(11) Uani 1 1 d . . . . .
O2 O 0.500000 0.500000 0.500000 0.0514(13) Uani 1 2 d S . P . .
N1 N 0.7259(4) 0.6141(4) 0.7976(4) 0.0362(8) Uani 1 1 d . . . . .
N2 N 0.7114(4) 0.7939(3) 0.6195(3) 0.0318(8) Uani 1 1 d . . . . .
N3 N 0.3418(6) 0.8201(6) 0.6900(6) 0.0762(17) Uani 1 1 d D . . . .
C1 C 0.5256(6) 0.7064(6) 0.9421(6) 0.0536(14) Uani 1 1 d . . . . .
H1A H 0.544091 0.793225 0.956311 0.080 Uiso 1 1 calc R U . . .
H1B H 0.497873 0.711058 1.014885 0.080 Uiso 1 1 calc R U . . .
H1C H 0.456532 0.657563 0.864005 0.080 Uiso 1 1 calc R U . . .
C2 C 0.7949(6) 0.7234(7) 1.0822(6) 0.0660(17) Uani 1 1 d . . . . .
H2A H 0.759036 0.727864 1.150783 0.099 Uiso 1 1 calc R U . . .
H2B H 0.813077 0.810189 1.095949 0.099 Uiso 1 1 calc R U . . .
H2C H 0.875277 0.684081 1.082042 0.099 Uiso 1 1 calc R U . . .
C3 C 0.6389(8) 0.4659(7) 0.9138(9) 0.083(2) Uani 1 1 d . . . . .
H3A H 0.570428 0.412506 0.836500 0.124 Uiso 1 1 calc R U . . .
H3B H 0.609979 0.479054 0.988990 0.124 Uiso 1 1 calc R U . . .
H3C H 0.717136 0.422994 0.910105 0.124 Uiso 1 1 calc R U . . .
C4 C 0.8945(9) 0.4044(7) 0.7690(8) 0.083(2) Uani 1 1 d . . . . .
H4A H 0.816036 0.343433 0.715983 0.125 Uiso 1 1 calc R U . . .
H4B H 0.911275 0.417449 0.855984 0.125 Uiso 1 1 calc R U . . .
H4C H 0.968167 0.370185 0.732995 0.125 Uiso 1 1 calc R U . . .
C5 C 0.8864(8) 0.5427(7) 0.6172(6) 0.0675(19) Uani 1 1 d . . . . .
H5A H 0.810210 0.487774 0.550012 0.101 Uiso 1 1 calc R U . . .
H5B H 0.964541 0.503104 0.597280 0.101 Uiso 1 1 calc R U . . .
H5C H 0.892268 0.626842 0.622250 0.101 Uiso 1 1 calc R U . . .
C6 C 1.0168(6) 0.6751(8) 0.8926(7) 0.077(2) Uani 1 1 d . . . . .
H6A H 1.008183 0.761196 0.903834 0.115 Uiso 1 1 calc R U . . .
H6B H 1.094561 0.645675 0.862437 0.115 Uiso 1 1 calc R U . . .
H6C H 1.023929 0.677540 0.974405 0.115 Uiso 1 1 calc R U . . .
C7 C 0.7035(7) 0.5921(5) 0.3537(5) 0.0567(15) Uani 1 1 d . . . . .
H7A H 0.778752 0.554133 0.376779 0.085 Uiso 1 1 calc R U . . .
H7B H 0.696749 0.581010 0.268393 0.085 Uiso 1 1 calc R U . . .
H7C H 0.624781 0.549498 0.353721 0.085 Uiso 1 1 calc R U . . .
C8 C 0.8832(7) 0.8333(7) 0.4711(7) 0.0725(19) Uani 1 1 d . . . . .
H8A H 0.896110 0.926745 0.525587 0.109 Uiso 1 1 calc R U . . .
H8B H 0.883342 0.811699 0.383621 0.109 Uiso 1 1 calc R U . . .
H8C H 0.953410 0.796342 0.503596 0.109 Uiso 1 1 calc R U . . .
C9 C 0.5967(7) 0.8363(7) 0.4011(6) 0.0645(17) Uani 1 1 d . . . . .
H9A H 0.510653 0.795931 0.388104 0.097 Uiso 1 1 calc R U . . .
H9B H 0.609479 0.821133 0.318824 0.097 Uiso 1 1 calc R U . . .
H9C H 0.603849 0.928816 0.459066 0.097 Uiso 1 1 calc R U . . .
C10 C 0.9608(5) 0.9558(6) 0.7967(6) 0.0592(15) Uani 1 1 d . . . . .
H10A H 0.993351 1.019665 0.887196 0.089 Uiso 1 1 calc R U . . .
H10B H 0.993870 0.984065 0.744393 0.089 Uiso 1 1 calc R U . . .
H10C H 0.990151 0.873304 0.781584 0.089 Uiso 1 1 calc R U . . .
C11 C 0.7313(7) 1.0817(5) 0.7402(6) 0.0577(15) Uani 1 1 d . . . . .
H11A H 0.764466 1.084573 0.673171 0.087 Uiso 1 1 calc R U . . .
H11B H 0.767656 1.159407 0.821944 0.087 Uiso 1 1 calc R U . . .
H11C H 0.636672 1.076638 0.718783 0.087 Uiso 1 1 calc R U . . .
C12 C 0.7306(6) 0.9536(5) 0.8972(5) 0.0521(13) Uani 1 1 d . . . . .
H12A H 0.636969 0.956232 0.885164 0.078 Uiso 1 1 calc R U . . .
H12B H 0.776273 1.032928 0.973014 0.078 Uiso 1 1 calc R U . . .
H12C H 0.753208 0.880084 0.908726 0.078 Uiso 1 1 calc R U . . .
C13 C 0.3286(11) 0.7919(9) 0.5610(6) 0.106(2) Uani 1 1 d D . . . .
H13A H 0.408068 0.826676 0.554093 0.159 Uiso 1 1 calc R U . . .
H13B H 0.255263 0.830885 0.536057 0.159 Uiso 1 1 calc R U . . .
H13C H 0.313329 0.698778 0.504394 0.159 Uiso 1 1 calc R U . . .
C14 C 0.2394(11) 0.7556(9) 0.7089(9) 0.106(2) Uani 1 1 d . . . . .
H14A H 0.239122 0.662556 0.659778 0.159 Uiso 1 1 calc R U . . .
H14B H 0.155547 0.778487 0.679823 0.159 Uiso 1 1 calc R U . . .
H14C H 0.254463 0.782191 0.799766 0.159 Uiso 1 1 calc R U . . .
C15 C 0.3411(12) 0.9563(8) 0.7675(10) 0.113(4) Uani 1 1 d . . . . .
H15A H 0.356806 0.978728 0.857344 0.170 Uiso 1 1 calc R U . . .
H15B H 0.256779 0.979811 0.740611 0.170 Uiso 1 1 calc R U . . .
H15C H 0.409299 1.002856 0.757067 0.170 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 0.0033 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'
Yb Yb -0.3850 5.5486 '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
Si1 Yb1 Yb1 112.29(3) . 2_666 ?
Si1 Yb1 Si4 145.97(3) . . ?
Si2 Yb1 Yb1 106.29(3) . 2_666 ?
Si2 Yb1 Si1 51.40(3) . . ?
Si2 Yb1 Si4 101.05(3) . . ?
Si3 Yb1 Yb1 143.81(2) . 2_666 ?
Si3 Yb1 Si1 102.92(3) . . ?
Si3 Yb1 Si2 88.90(4) . . ?
Si3 Yb1 Si4 51.23(3) . . ?
Si4 Yb1 Yb1 93.12(2) . 2_666 ?
O1 Yb1 Yb1 100.54(13) . 2_666 ?
O1 Yb1 Si1 93.83(12) . . ?
O1 Yb1 Si2 142.12(13) . . ?
O1 Yb1 Si3 84.78(12) . . ?
O1 Yb1 Si4 103.70(11) . . ?
O1 Yb1 N1 117.39(16) . . ?
O1 Yb1 N2 96.13(14) . . ?
O2 Yb1 Yb1 0.000(5) . 2_666 ?
O2 Yb1 Si1 112.29(3) . . ?
O2 Yb1 Si2 106.29(3) . . ?
O2 Yb1 Si3 143.81(2) . . ?
O2 Yb1 Si4 93.12(2) . . ?
O2 Yb1 O1 100.54(13) . . ?
O2 Yb1 N1 112.10(10) . . ?
O2 Yb1 N2 116.54(10) . . ?
N1 Yb1 Yb1 112.10(10) . 2_666 ?
N1 Yb1 Si1 24.86(10) . . ?
N1 Yb1 Si2 26.55(10) . . ?
N1 Yb1 Si3 96.23(10) . . ?
N1 Yb1 Si4 124.99(10) . . ?
N1 Yb1 N2 112.83(14) . . ?
N2 Yb1 Yb1 116.54(10) . 2_666 ?
N2 Yb1 Si1 127.12(10) . . ?
N2 Yb1 Si2 95.28(10) . . ?
N2 Yb1 Si3 27.73(10) . . ?
N2 Yb1 Si4 23.52(10) . . ?
N1 Si1 Yb1 33.06(13) . . ?
N1 Si1 C1 110.6(2) . . ?
N1 Si1 C2 113.6(2) . . ?
N1 Si1 C3 113.9(3) . . ?
C1 Si1 Yb1 78.07(19) . . ?
C2 Si1 Yb1 130.1(2) . . ?
C2 Si1 C1 104.6(3) . . ?
C2 Si1 C3 105.9(4) . . ?
C3 Si1 Yb1 121.0(3) . . ?
C3 Si1 C1 107.6(3) . . ?
N1 Si2 Yb1 35.71(12) . . ?
N1 Si2 C4 114.2(3) . . ?
N1 Si2 C5 108.9(3) . . ?
N1 Si2 C6 115.3(3) . . ?
C4 Si2 Yb1 129.8(3) . . ?
C5 Si2 Yb1 73.3(2) . . ?
C5 Si2 C4 107.5(3) . . ?
C5 Si2 C6 105.1(3) . . ?
C6 Si2 Yb1 123.5(3) . . ?
C6 Si2 C4 105.2(4) . . ?
N2 Si3 Yb1 37.38(11) . . ?
N2 Si3 C10 113.1(2) . . ?
N2 Si3 C11 114.2(2) . . ?
N2 Si3 C12 111.2(2) . . ?
C10 Si3 Yb1 121.3(2) . . ?
C10 Si3 C12 105.2(3) . . ?
C11 Si3 Yb1 130.4(2) . . ?
C11 Si3 C10 106.8(3) . . ?
C11 Si3 C12 105.7(3) . . ?
C12 Si3 Yb1 74.06(17) . . ?
N2 Si4 Yb1 31.35(12) . . ?
N2 Si4 C7 112.5(2) . . ?
N2 Si4 C8 114.2(3) . . ?
N2 Si4 C9 112.6(2) . . ?
C7 Si4 Yb1 83.92(18) . . ?
C7 Si4 C8 105.0(3) . . ?
C7 Si4 C9 106.1(3) . . ?
C8 Si4 Yb1 137.7(2) . . ?
C9 Si4 Yb1 111.2(2) . . ?
C9 Si4 C8 105.7(3) . . ?
N3 O1 Yb1 152.5(4) . . ?
Yb1 O2 Yb1 180.0 2_666 . ?
Si1 N1 Yb1 122.1(2) . . ?
Si2 N1 Yb1 117.74(19) . . ?
Si2 N1 Si1 120.1(2) . . ?
Si3 N2 Yb1 114.88(18) . . ?
Si3 N2 Si4 119.9(2) . . ?
Si4 N2 Yb1 125.1(2) . . ?
O1 N3 C13 102.5(6) . . ?
O1 N3 C14 108.5(6) . . ?
O1 N3 C15 115.7(7) . . ?
C13 N3 C14 114.9(7) . . ?
C13 N3 C15 108.2(7) . . ?
C15 N3 C14 107.3(7) . . ?
Si1 C1 H1A 109.5 . . ?
Si1 C1 H1B 109.5 . . ?
Si1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si2 C4 H4A 109.5 . . ?
Si2 C4 H4B 109.5 . . ?
Si2 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si2 C5 H5A 109.5 . . ?
Si2 C5 H5B 109.5 . . ?
Si2 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si4 C7 H7A 109.5 . . ?
Si4 C7 H7B 109.5 . . ?
Si4 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si4 C8 H8A 109.5 . . ?
Si4 C8 H8B 109.5 . . ?
Si4 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si4 C9 H9A 109.5 . . ?
Si4 C9 H9B 109.5 . . ?
Si4 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si3 C10 H10A 109.5 . . ?
Si3 C10 H10B 109.5 . . ?
Si3 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si3 C11 H11A 109.5 . . ?
Si3 C11 H11B 109.5 . . ?
Si3 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si3 C12 H12A 109.5 . . ?
Si3 C12 H12B 109.5 . . ?
Si3 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N3 C13 H13A 109.5 . . ?
N3 C13 H13B 109.5 . . ?
N3 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N3 C14 H14A 109.5 . . ?
N3 C14 H14B 109.5 . . ?
N3 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N3 C15 H15A 109.5 . . ?
N3 C15 H15B 109.5 . . ?
N3 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
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
Yb1 Yb1 4.0482(5) 2_666 ?
Yb1 Si1 3.4616(13) . ?
Yb1 Si2 3.3793(14) . ?
Yb1 Si3 3.3462(12) . ?
Yb1 Si4 3.5206(12) . ?
Yb1 O1 2.187(3) . ?
Yb1 O2 2.0241(2) . ?
Yb1 N1 2.229(4) . ?
Yb1 N2 2.240(3) . ?
Si1 N1 1.718(4) . ?
Si1 C1 1.874(6) . ?
Si1 C2 1.870(7) . ?
Si1 C3 1.871(6) . ?
Si2 N1 1.707(4) . ?
Si2 C4 1.891(6) . ?
Si2 C5 1.859(6) . ?
Si2 C6 1.866(8) . ?
Si3 N2 1.716(4) . ?
Si3 C10 1.875(6) . ?
Si3 C11 1.872(5) . ?
Si3 C12 1.881(5) . ?
Si4 N2 1.718(4) . ?
Si4 C7 1.862(6) . ?
Si4 C8 1.890(6) . ?
Si4 C9 1.866(6) . ?
O1 N3 1.293(7) . ?
N3 C13 1.4307(10) . ?
N3 C14 1.456(10) . ?
N3 C15 1.443(9) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
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 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
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 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Yb1 Si1 N1 Si2 -177.7(4) . . . . ?
Yb1 Si2 N1 Si1 177.8(4) . . . . ?
Yb1 Si3 N2 Si4 177.1(4) . . . . ?
Yb1 Si4 N2 Si3 -176.7(4) . . . . ?
Yb1 O1 N3 C13 -17.7(11) . . . . ?
Yb1 O1 N3 C14 104.2(9) . . . . ?
Yb1 O1 N3 C15 -135.2(8) . . . . ?
C1 Si1 N1 Yb1 -10.7(3) . . . . ?
C1 Si1 N1 Si2 171.5(3) . . . . ?
C2 Si1 N1 Yb1 -128.1(3) . . . . ?
C2 Si1 N1 Si2 54.2(4) . . . . ?
C3 Si1 N1 Yb1 110.5(4) . . . . ?
C3 Si1 N1 Si2 -67.2(4) . . . . ?
C4 Si2 N1 Yb1 -125.2(3) . . . . ?
C4 Si2 N1 Si1 52.6(4) . . . . ?
C5 Si2 N1 Yb1 -5.0(4) . . . . ?
C5 Si2 N1 Si1 172.8(3) . . . . ?
C6 Si2 N1 Yb1 112.8(3) . . . . ?
C6 Si2 N1 Si1 -69.4(4) . . . . ?
C7 Si4 N2 Yb1 -25.8(4) . . . . ?
C7 Si4 N2 Si3 157.5(3) . . . . ?
C8 Si4 N2 Yb1 -145.3(3) . . . . ?
C8 Si4 N2 Si3 38.0(4) . . . . ?
C9 Si4 N2 Yb1 94.1(3) . . . . ?
C9 Si4 N2 Si3 -82.6(4) . . . . ?
C10 Si3 N2 Yb1 111.9(3) . . . . ?
C10 Si3 N2 Si4 -71.0(3) . . . . ?
C11 Si3 N2 Yb1 -125.7(3) . . . . ?
C11 Si3 N2 Si4 51.4(3) . . . . ?
C12 Si3 N2 Yb1 -6.2(3) . . . . ?
C12 Si3 N2 Si4 170.9(3) . . . . ?
