#------------------------------------------------------------------------------
#$Date: 2024-07-05 19:21:45 +0300 (Fri, 05 Jul 2024) $
#$Revision: 293062 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/58/7715860.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_7715860
loop_
_publ_author_name
'Ma, Ying-Zhao'
'Yu, Lian'
'Zhou, Qi'
'Fu, Wensheng'
_publ_section_title
;
 Dinuclear ytterbium(III) benzamidinate complexes with bridging
 S₃²⁻, Se₂²⁻ and
 Te₂²⁻ ligands: synthesis, structure and magnetic
 properties.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8118
_journal_page_last               8123
_journal_paper_doi               10.1039/d4dt00724g
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C52 H92 N8 Si8 Te2 Yb2, 2(C7 H8)'
_chemical_formula_sum            'C66 H108 N8 Si8 Te2 Yb2'
_chemical_formula_weight         1839.60
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-11-02
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2024-03-03 deposited with the CCDC.	2024-04-26 downloaded from the CCDC.
;
_cell_angle_alpha                97.304(2)
_cell_angle_beta                 109.927(2)
_cell_angle_gamma                114.411(2)
_cell_formula_units_Z            1
_cell_length_a                   12.0836(2)
_cell_length_b                   13.4866(3)
_cell_length_c                   15.6191(3)
_cell_measurement_reflns_used    23384
_cell_measurement_temperature    180.00(10)
_cell_measurement_theta_max      29.2760
_cell_measurement_theta_min      3.8360
_cell_volume                     2069.55(10)
_computing_cell_refinement       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      180.00(10)
_diffrn_detector                 'Image Plate'
_diffrn_detector_area_resol_mean 8.0243
_diffrn_detector_type            'Rigaku IP'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.897
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -43.00  21.00   1.00    2.40    --  -16.35  77.00-120.00   64
  2  ω    -42.00  10.00   1.00    2.40    --  -16.35 -77.00 120.00   52
  3  ω    -43.00  21.00   1.00    2.40    --  -16.35  77.00   0.00   64
  4  ω    -42.00  10.00   1.00    2.40    --  -16.35 -77.00 -90.00   52
  5  ω    -42.00  10.00   1.00    2.40    --  -16.35 -77.00-150.00   52
  6  ω    -51.00  33.00   1.00    2.40    --   16.50 -57.00 120.00   84
  7  ω    -15.00  55.00   1.00    2.40    --   16.50 -99.00 120.00   70
  8  ω    -53.00  86.00   1.00    2.40    --   16.50   0.00 150.00  139
  9  ω    -42.00  10.00   1.00    2.40    --  -16.35 -77.00 -30.00   52
 10  ω    -42.00  10.00   1.00    2.40    --  -16.35 -77.00  60.00   52
 11  ω    -51.00  33.00   1.00    2.40    --   16.50 -57.00 -60.00   84
 12  ω     13.00  78.00   1.00    2.40    --   16.50-138.00 -67.00   65
 13  ω    -42.00  43.00   1.00    2.40    --   16.50 -77.00  90.00   85
 14  ω     -2.00  86.00   1.00    2.40    --   16.50  38.00 -90.00   88
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku R-AXIS SPIDER IP'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0398949000
_diffrn_orient_matrix_UB_12      -0.0495165000
_diffrn_orient_matrix_UB_13      -0.0409935000
_diffrn_orient_matrix_UB_21      -0.0033395000
_diffrn_orient_matrix_UB_22      -0.0352966000
_diffrn_orient_matrix_UB_23      0.0300932000
_diffrn_orient_matrix_UB_31      -0.0593737000
_diffrn_orient_matrix_UB_32      -0.0006577000
_diffrn_orient_matrix_UB_33      -0.0008633000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0425
_diffrn_reflns_av_unetI/netI     0.0386
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.897
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            45086
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.897
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.351
_diffrn_reflns_theta_min         3.286
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Mo
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.092
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.56474
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light green'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.476
_exptl_crystal_description       prism
_exptl_crystal_F_000             916
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.723
_refine_diff_density_min         -0.718
_refine_diff_density_rms         0.095
_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     401
_refine_ls_number_reflns         10216
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0318
_refine_ls_R_factor_gt           0.0269
_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)+(0.0187P)²+0.6998P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0529
_refine_ls_wR_factor_ref         0.0559
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9217
_reflns_number_total             10216
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt00724g2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7715860--7715862.cif.'
_cod_original_cell_volume        2069.55(8)
_cod_database_code               7715860
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_usercomment     'C1 H1 N1 O1 Yb1 Te1'
_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_max   0.970
_shelx_estimated_absorpt_t_min   0.913
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C8(H8), C9(H9), C10(H10), C19(H19), C20(H20), C21(H21),
 C22(H22), C23(H23), C29(H29), C30(H30), C31(H31), C32(H32), C33(H33)
2.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C11(H11A,H11B,H11C),
 C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C15(H15A,H15B,
 H15C), C16(H16A,H16B,H16C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C26(H26A,
 H26B,H26C), C27(H27A,H27B,H27C)
;
_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 1.391
_oxdiff_exptl_absorpt_empirical_full_min 0.786
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 0.55091(2) 0.55377(2) 0.34759(2) 0.02024(4) Uani 1 1 d . . . . .
Te1 Te 0.36134(2) 0.44944(2) 0.44420(2) 0.02828(5) Uani 1 1 d . . . . .
Si1 Si 0.27471(8) 0.43521(8) 0.09841(6) 0.03244(18) Uani 1 1 d . . . . .
Si2 Si 0.54890(8) 0.83580(7) 0.40835(6) 0.03214(18) Uani 1 1 d . . . . .
Si3 Si 0.88285(8) 0.75424(7) 0.34786(6) 0.03144(18) Uani 1 1 d . . . . .
Si4 Si 0.57712(7) 0.28548(7) 0.27854(6) 0.02681(16) Uani 1 1 d . . . . .
N1 N 0.3905(2) 0.5397(2) 0.20908(15) 0.0267(5) Uani 1 1 d . . . . .
N2 N 0.5082(2) 0.7042(2) 0.33662(16) 0.0267(5) Uani 1 1 d . . . . .
N3 N 0.7482(2) 0.62233(19) 0.33095(15) 0.0249(5) Uani 1 1 d . . . . .
N4 N 0.6157(2) 0.42841(19) 0.29429(15) 0.0238(5) Uani 1 1 d . . . . .
C1 C 0.1459(4) 0.4662(4) 0.0211(3) 0.0731(13) Uani 1 1 d . . . . .
H1A H 0.095736 0.478253 0.055408 0.110 Uiso 1 1 calc R U . . .
H1B H 0.083347 0.401327 -0.037897 0.110 Uiso 1 1 calc R U . . .
H1C H 0.190520 0.535416 0.005103 0.110 Uiso 1 1 calc R U . . .
C2 C 0.1849(4) 0.3029(3) 0.1240(3) 0.0687(12) Uani 1 1 d . . . . .
H2A H 0.250723 0.286624 0.167827 0.103 Uiso 1 1 calc R U . . .
H2B H 0.127185 0.238881 0.064052 0.103 Uiso 1 1 calc R U . . .
H2C H 0.129164 0.312890 0.153740 0.103 Uiso 1 1 calc R U . . .
C3 C 0.3682(4) 0.4116(5) 0.0336(3) 0.0862(16) Uani 1 1 d . . . . .
H3A H 0.412717 0.480447 0.017101 0.129 Uiso 1 1 calc R U . . .
H3B H 0.305280 0.346425 -0.025268 0.129 Uiso 1 1 calc R U . . .
H3C H 0.436344 0.395223 0.074363 0.129 Uiso 1 1 calc R U . . .
C4 C 0.4197(3) 0.6471(2) 0.2449(2) 0.0260(6) Uani 1 1 d . . . . .
C5 C 0.3589(3) 0.7061(3) 0.1845(2) 0.0302(6) Uani 1 1 d . . . . .
C6 C 0.2510(3) 0.7161(3) 0.1893(2) 0.0402(8) Uani 1 1 d . . . . .
H6 H 0.212655 0.682990 0.229272 0.048 Uiso 1 1 calc R U . . .
C7 C 0.1993(3) 0.7742(3) 0.1358(3) 0.0506(9) Uani 1 1 d . . . . .
H7 H 0.126547 0.781843 0.140216 0.061 Uiso 1 1 calc R U . . .
C8 C 0.2524(4) 0.8207(3) 0.0767(3) 0.0549(10) Uani 1 1 d . . . . .
H8 H 0.216620 0.860725 0.040331 0.066 Uiso 1 1 calc R U . . .
C9 C 0.3575(4) 0.8095(3) 0.0700(3) 0.0536(10) Uani 1 1 d . . . . .
H9 H 0.393297 0.840893 0.028218 0.064 Uiso 1 1 calc R U . . .
C10 C 0.4116(3) 0.7526(3) 0.1236(2) 0.0422(8) Uani 1 1 d . . . . .
H10 H 0.484405 0.745460 0.118896 0.051 Uiso 1 1 calc R U . . .
C11 C 0.5805(4) 0.9530(3) 0.3526(3) 0.0474(8) Uani 1 1 d . . . . .
H11A H 0.639180 0.953697 0.321884 0.071 Uiso 1 1 calc R U . . .
H11B H 0.624512 1.026846 0.402235 0.071 Uiso 1 1 calc R U . . .
H11C H 0.494498 0.940037 0.304447 0.071 Uiso 1 1 calc R U . . .
C12 C 0.4108(3) 0.8167(3) 0.4442(3) 0.0502(9) Uani 1 1 d . . . . .
H12A H 0.336679 0.815425 0.391533 0.075 Uiso 1 1 calc R U . . .
H12B H 0.445521 0.880501 0.501172 0.075 Uiso 1 1 calc R U . . .
H12C H 0.377808 0.744316 0.458681 0.075 Uiso 1 1 calc R U . . .
C13 C 0.7061(3) 0.8789(3) 0.5162(2) 0.0419(8) Uani 1 1 d . . . . .
H13A H 0.693151 0.816393 0.544311 0.063 Uiso 1 1 calc R U . . .
H13B H 0.727691 0.947501 0.563276 0.063 Uiso 1 1 calc R U . . .
H13C H 0.780361 0.895676 0.498023 0.063 Uiso 1 1 calc R U . . .
C14 C 0.8069(3) 0.8421(3) 0.3018(3) 0.0475(9) Uani 1 1 d . . . . .
H14A H 0.757362 0.810775 0.231784 0.071 Uiso 1 1 calc R U . . .
H14B H 0.878387 0.921276 0.320001 0.071 Uiso 1 1 calc R U . . .
H14C H 0.744661 0.840762 0.329301 0.071 Uiso 1 1 calc R U . . .
C15 C 0.9968(3) 0.8223(3) 0.4789(3) 0.0574(10) Uani 1 1 d . . . . .
H15A H 0.943008 0.819814 0.514252 0.086 Uiso 1 1 calc R U . . .
H15B H 1.061658 0.902234 0.491072 0.086 Uiso 1 1 calc R U . . .
H15C H 1.045475 0.780593 0.500036 0.086 Uiso 1 1 calc R U . . .
C16 C 0.9830(4) 0.7481(3) 0.2810(3) 0.0553(10) Uani 1 1 d . . . . .
H16A H 1.030168 0.706418 0.305648 0.083 Uiso 1 1 calc R U . . .
H16B H 1.049112 0.826232 0.289694 0.083 Uiso 1 1 calc R U . . .
H16C H 0.922268 0.708599 0.212690 0.083 Uiso 1 1 calc R U . . .
C17 C 0.7313(2) 0.5173(2) 0.30688(17) 0.0225(5) Uani 1 1 d . . . . .
C18 C 0.8413(3) 0.4986(2) 0.29735(19) 0.0247(6) Uani 1 1 d . . . . .
C19 C 0.9594(3) 0.5320(3) 0.3777(2) 0.0310(6) Uani 1 1 d . . . . .
H19 H 0.971007 0.566952 0.439210 0.037 Uiso 1 1 calc R U . . .
C20 C 1.0610(3) 0.5145(3) 0.3687(2) 0.0389(7) Uani 1 1 d . . . . .
H20 H 1.141635 0.537025 0.423994 0.047 Uiso 1 1 calc R U . . .
C21 C 1.0445(3) 0.4643(3) 0.2793(2) 0.0440(8) Uani 1 1 d . . . . .
H21 H 1.114332 0.452765 0.273316 0.053 Uiso 1 1 calc R U . . .
C22 C 0.9281(3) 0.4309(3) 0.1989(2) 0.0414(8) Uani 1 1 d . . . . .
H22 H 0.917670 0.396693 0.137636 0.050 Uiso 1 1 calc R U . . .
C23 C 0.8255(3) 0.4473(3) 0.2074(2) 0.0327(7) Uani 1 1 d . . . . .
H23 H 0.744582 0.423570 0.151887 0.039 Uiso 1 1 calc R U . . .
C24 C 0.7206(3) 0.2678(3) 0.3545(2) 0.0408(7) Uani 1 1 d . . . . .
H24A H 0.791468 0.294411 0.332391 0.061 Uiso 1 1 calc R U . . .
H24B H 0.688659 0.186756 0.349656 0.061 Uiso 1 1 calc R U . . .
H24C H 0.757122 0.313078 0.421443 0.061 Uiso 1 1 calc R U . . .
C25 C 0.5137(4) 0.2049(3) 0.1506(2) 0.0531(9) Uani 1 1 d . . . . .
H25A H 0.442797 0.218502 0.109895 0.080 Uiso 1 1 calc R U . . .
H25B H 0.476796 0.122728 0.142578 0.080 Uiso 1 1 calc R U . . .
H25C H 0.588213 0.231053 0.132014 0.080 Uiso 1 1 calc R U . . .
C26 C 0.4384(3) 0.2204(3) 0.3143(3) 0.0467(8) Uani 1 1 d . . . . .
H26A H 0.468612 0.261680 0.381224 0.070 Uiso 1 1 calc R U . . .
H26B H 0.412966 0.139773 0.307375 0.070 Uiso 1 1 calc R U . . .
H26C H 0.360159 0.225397 0.273075 0.070 Uiso 1 1 calc R U . . .
C27 C 0.0575(5) -0.0174(4) 0.1372(4) 0.0815(14) Uani 1 1 d . . . . .
H27A H 0.006429 -0.099318 0.101056 0.122 Uiso 1 1 calc R U . . .
H27B H 0.127854 -0.004018 0.199175 0.122 Uiso 1 1 calc R U . . .
H27C H 0.099492 0.026167 0.100767 0.122 Uiso 1 1 calc R U . . .
C28 C -0.0343(4) 0.0202(3) 0.1529(3) 0.0520(9) Uani 1 1 d . . . . .
C29 C 0.0125(4) 0.1082(3) 0.2354(3) 0.0585(10) Uani 1 1 d . . . . .
H29 H 0.103792 0.144425 0.281956 0.070 Uiso 1 1 calc R U . . .
C30 C -0.0744(5) 0.1417(4) 0.2484(3) 0.0713(12) Uani 1 1 d . . . . .
H30 H -0.041928 0.202461 0.304122 0.086 Uiso 1 1 calc R U . . .
C31 C -0.2102(6) 0.0888(5) 0.1819(4) 0.0851(15) Uani 1 1 d . . . . .
H31 H -0.269978 0.112400 0.192001 0.102 Uiso 1 1 calc R U . . .
C32 C -0.2529(5) 0.0044(5) 0.1038(3) 0.0799(14) Uani 1 1 d . . . . .
H32 H -0.344631 -0.032443 0.057791 0.096 Uiso 1 1 calc R U . . .
C33 C -0.1670(4) -0.0305(3) 0.0886(3) 0.0526(9) Uani 1 1 d . . . . .
H33 H -0.200656 -0.090820 0.032229 0.063 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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 '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
Te1 Yb1 Te1 53.497(6) 2_666 . ?
N1 Yb1 Te1 149.52(5) . 2_666 ?
N1 Yb1 Te1 97.32(6) . . ?
N1 Yb1 N2 59.96(8) . . ?
N1 Yb1 N3 106.33(8) . . ?
N1 Yb1 N4 102.56(8) . . ?
N2 Yb1 Te1 94.77(5) . . ?
N2 Yb1 Te1 108.95(5) . 2_666 ?
N2 Yb1 N4 150.43(8) . . ?
N3 Yb1 Te1 103.56(5) . 2_666 ?
N3 Yb1 Te1 156.07(5) . . ?
N3 Yb1 N2 100.15(8) . . ?
N3 Yb1 N4 59.74(8) . . ?
N4 Yb1 Te1 97.46(5) . 2_666 ?
N4 Yb1 Te1 111.93(5) . . ?
Yb1 Te1 Yb1 126.503(6) 2_666 . ?
Te1 Te1 Yb1 62.333(7) 2_666 . ?
Te1 Te1 Yb1 64.170(7) 2_666 2_666 ?
N1 Si1 C1 115.55(15) . . ?
N1 Si1 C2 106.44(14) . . ?
N1 Si1 C3 108.60(16) . . ?
C2 Si1 C1 107.5(2) . . ?
C2 Si1 C3 109.1(2) . . ?
C3 Si1 C1 109.4(2) . . ?
N2 Si2 C11 115.24(13) . . ?
N2 Si2 C12 109.36(14) . . ?
N2 Si2 C13 105.65(13) . . ?
C11 Si2 C12 108.59(16) . . ?
C13 Si2 C11 108.26(16) . . ?
C13 Si2 C12 109.63(15) . . ?
N3 Si3 C14 106.21(13) . . ?
N3 Si3 C15 108.37(14) . . ?
N3 Si3 C16 115.74(14) . . ?
C14 Si3 C15 110.67(18) . . ?
C14 Si3 C16 106.16(16) . . ?
C16 Si3 C15 109.61(17) . . ?
N4 Si4 C24 113.71(13) . . ?
N4 Si4 C25 111.97(14) . . ?
N4 Si4 C26 105.92(13) . . ?
C25 Si4 C24 109.19(16) . . ?
C26 Si4 C24 108.09(15) . . ?
C26 Si4 C25 107.67(17) . . ?
Si1 N1 Yb1 136.39(12) . . ?
C4 N1 Yb1 91.15(16) . . ?
C4 N1 Si1 132.46(19) . . ?
Si2 N2 Yb1 140.39(12) . . ?
C4 N2 Yb1 90.09(16) . . ?
C4 N2 Si2 129.31(19) . . ?
Si3 N3 Yb1 139.00(12) . . ?
C17 N3 Yb1 91.13(15) . . ?
C17 N3 Si3 129.74(18) . . ?
Si4 N4 Yb1 139.53(11) . . ?
C17 N4 Yb1 90.07(15) . . ?
C17 N4 Si4 127.75(17) . . ?
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 . . ?
N1 C4 N2 118.5(2) . . ?
N1 C4 C5 122.0(2) . . ?
N2 C4 C5 119.6(2) . . ?
C6 C5 C4 120.9(3) . . ?
C6 C5 C10 119.1(3) . . ?
C10 C5 C4 120.0(2) . . ?
C5 C6 H6 119.9 . . ?
C7 C6 C5 120.2(3) . . ?
C7 C6 H6 119.9 . . ?
C6 C7 H7 119.8 . . ?
C8 C7 C6 120.4(3) . . ?
C8 C7 H7 119.8 . . ?
C7 C8 H8 120.1 . . ?
C7 C8 C9 119.9(3) . . ?
C9 C8 H8 120.1 . . ?
C8 C9 H9 119.8 . . ?
C8 C9 C10 120.5(3) . . ?
C10 C9 H9 119.8 . . ?
C5 C10 H10 120.1 . . ?
C9 C10 C5 119.9(3) . . ?
C9 C10 H10 120.1 . . ?
Si2 C11 H11A 109.5 . . ?
Si2 C11 H11B 109.5 . . ?
Si2 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si3 C14 H14A 109.5 . . ?
Si3 C14 H14B 109.5 . . ?
Si3 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si3 C15 H15A 109.5 . . ?
Si3 C15 H15B 109.5 . . ?
Si3 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si3 C16 H16A 109.5 . . ?
Si3 C16 H16B 109.5 . . ?
Si3 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N3 C17 N4 118.6(2) . . ?
N3 C17 C18 120.8(2) . . ?
N4 C17 C18 120.5(2) . . ?
C19 C18 C17 120.3(2) . . ?
C19 C18 C23 119.3(2) . . ?
C23 C18 C17 120.3(2) . . ?
C18 C19 H19 119.9 . . ?
C18 C19 C20 120.2(3) . . ?
C20 C19 H19 119.9 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 119.9(3) . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 119.7 . . ?
C22 C21 C20 120.5(3) . . ?
C22 C21 H21 119.7 . . ?
C21 C22 H22 120.0 . . ?
C21 C22 C23 119.9(3) . . ?
C23 C22 H22 120.0 . . ?
C18 C23 H23 120.0 . . ?
C22 C23 C18 120.1(3) . . ?
C22 C23 H23 120.0 . . ?
Si4 C24 H24A 109.5 . . ?
Si4 C24 H24B 109.5 . . ?
Si4 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si4 C25 H25A 109.5 . . ?
Si4 C25 H25B 109.5 . . ?
Si4 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si4 C26 H26A 109.5 . . ?
Si4 C26 H26B 109.5 . . ?
Si4 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C28 C27 H27A 109.5 . . ?
C28 C27 H27B 109.5 . . ?
C28 C27 H27C 109.5 . . ?
C29 C28 C27 120.3(4) . . ?
C33 C28 C27 121.4(4) . . ?
C33 C28 C29 118.3(4) . . ?
C28 C29 H29 120.3 . . ?
C30 C29 C28 119.3(4) . . ?
C30 C29 H29 120.3 . . ?
C29 C30 H30 119.1 . . ?
C29 C30 C31 121.8(4) . . ?
C31 C30 H30 119.1 . . ?
C30 C31 H31 121.0 . . ?
C32 C31 C30 117.9(4) . . ?
C32 C31 H31 121.0 . . ?
C31 C32 H32 119.3 . . ?
C31 C32 C33 121.5(5) . . ?
C33 C32 H32 119.3 . . ?
C28 C33 C32 121.3(4) . . ?
C28 C33 H33 119.4 . . ?
C32 C33 H33 119.4 . . ?
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 Te1 3.0702(2) 2_666 ?
Yb1 Te1 3.1202(2) . ?
Yb1 N1 2.282(2) . ?
Yb1 N2 2.304(2) . ?
Yb1 N3 2.295(2) . ?
Yb1 N4 2.312(2) . ?
Te1 Te1 2.7865(3) 2_666 ?
Si1 N1 1.742(2) . ?
Si1 C1 1.855(3) . ?
Si1 C2 1.843(4) . ?
Si1 C3 1.844(4) . ?
Si2 N2 1.744(2) . ?
Si2 C11 1.865(3) . ?
Si2 C12 1.866(3) . ?
Si2 C13 1.855(3) . ?
Si3 N3 1.754(2) . ?
Si3 C14 1.852(3) . ?
Si3 C15 1.866(4) . ?
Si3 C16 1.866(3) . ?
Si4 N4 1.747(2) . ?
Si4 C24 1.866(3) . ?
Si4 C25 1.865(3) . ?
Si4 C26 1.854(3) . ?
N1 C4 1.331(3) . ?
N2 C4 1.336(3) . ?
N3 C17 1.327(3) . ?
N4 C17 1.340(3) . ?
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 C5 1.504(4) . ?
C5 C6 1.390(4) . ?
C5 C10 1.392(4) . ?
C6 H6 0.9500 . ?
C6 C7 1.384(4) . ?
C7 H7 0.9500 . ?
C7 C8 1.370(5) . ?
C8 H8 0.9500 . ?
C8 C9 1.376(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.386(4) . ?
C10 H10 0.9500 . ?
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 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.501(3) . ?
C18 C19 1.386(4) . ?
C18 C23 1.397(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.389(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.381(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.374(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.391(4) . ?
C23 H23 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C27 C28 1.472(5) . ?
C28 C29 1.396(5) . ?
C28 C33 1.368(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.364(6) . ?
C30 H30 0.9500 . ?
C30 C31 1.401(6) . ?
C31 H31 0.9500 . ?
C31 C32 1.334(6) . ?
C32 H32 0.9500 . ?
C32 C33 1.379(5) . ?
C33 H33 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
Yb1 N1 C4 N2 -5.8(2) . . . . ?
Yb1 N1 C4 C5 172.6(2) . . . . ?
Yb1 N2 C4 N1 5.7(2) . . . . ?
Yb1 N2 C4 C5 -172.7(2) . . . . ?
Yb1 N3 C17 N4 6.4(2) . . . . ?
Yb1 N3 C17 C18 -171.5(2) . . . . ?
Yb1 N4 C17 N3 -6.3(2) . . . . ?
Yb1 N4 C17 C18 171.5(2) . . . . ?
Si1 N1 C4 N2 174.80(19) . . . . ?
Si1 N1 C4 C5 -6.9(4) . . . . ?
Si2 N2 C4 N1 -169.87(19) . . . . ?
Si2 N2 C4 C5 11.8(4) . . . . ?
Si3 N3 C17 N4 -177.24(18) . . . . ?
Si3 N3 C17 C18 4.9(4) . . . . ?
Si4 N4 C17 N3 -170.72(19) . . . . ?
Si4 N4 C17 C18 7.1(4) . . . . ?
N1 C4 C5 C6 100.8(3) . . . . ?
N1 C4 C5 C10 -79.9(4) . . . . ?
N2 C4 C5 C6 -80.9(4) . . . . ?
N2 C4 C5 C10 98.4(3) . . . . ?
N3 C17 C18 C19 69.2(4) . . . . ?
N3 C17 C18 C23 -110.9(3) . . . . ?
N4 C17 C18 C19 -108.6(3) . . . . ?
N4 C17 C18 C23 71.3(3) . . . . ?
C1 Si1 N1 Yb1 168.5(2) . . . . ?
C1 Si1 N1 C4 -12.3(3) . . . . ?
C2 Si1 N1 Yb1 49.2(2) . . . . ?
C2 Si1 N1 C4 -131.6(3) . . . . ?
C3 Si1 N1 Yb1 -68.1(3) . . . . ?
C3 Si1 N1 C4 111.0(3) . . . . ?
C4 C5 C6 C7 177.7(3) . . . . ?
C4 C5 C10 C9 -178.4(3) . . . . ?
C5 C6 C7 C8 1.1(6) . . . . ?
C6 C5 C10 C9 0.9(5) . . . . ?
C6 C7 C8 C9 0.2(6) . . . . ?
C7 C8 C9 C10 -0.9(6) . . . . ?
C8 C9 C10 C5 0.3(6) . . . . ?
C10 C5 C6 C7 -1.6(5) . . . . ?
C11 Si2 N2 Yb1 139.78(19) . . . . ?
C11 Si2 N2 C4 -47.1(3) . . . . ?
C12 Si2 N2 Yb1 -97.6(2) . . . . ?
C12 Si2 N2 C4 75.5(3) . . . . ?
C13 Si2 N2 Yb1 20.3(2) . . . . ?
C13 Si2 N2 C4 -166.6(2) . . . . ?
C14 Si3 N3 Yb1 -42.0(2) . . . . ?
C14 Si3 N3 C17 143.5(2) . . . . ?
C15 Si3 N3 Yb1 77.0(2) . . . . ?
C15 Si3 N3 C17 -97.5(3) . . . . ?
C16 Si3 N3 Yb1 -159.47(19) . . . . ?
C16 Si3 N3 C17 26.0(3) . . . . ?
C17 C18 C19 C20 179.9(3) . . . . ?
C17 C18 C23 C22 179.6(3) . . . . ?
C18 C19 C20 C21 0.4(5) . . . . ?
C19 C18 C23 C22 -0.5(4) . . . . ?
C19 C20 C21 C22 -0.3(5) . . . . ?
C20 C21 C22 C23 -0.2(5) . . . . ?
C21 C22 C23 C18 0.6(5) . . . . ?
C23 C18 C19 C20 0.0(4) . . . . ?
C24 Si4 N4 Yb1 -116.56(19) . . . . ?
C24 Si4 N4 C17 39.0(3) . . . . ?
C25 Si4 N4 Yb1 119.1(2) . . . . ?
C25 Si4 N4 C17 -85.4(3) . . . . ?
C26 Si4 N4 Yb1 2.0(2) . . . . ?
C26 Si4 N4 C17 157.5(2) . . . . ?
C27 C28 C29 C30 179.9(4) . . . . ?
C27 C28 C33 C32 179.6(4) . . . . ?
C28 C29 C30 C31 1.0(6) . . . . ?
C29 C28 C33 C32 0.4(6) . . . . ?
C29 C30 C31 C32 -0.6(7) . . . . ?
C30 C31 C32 C33 0.1(7) . . . . ?
C31 C32 C33 C28 0.0(7) . . . . ?
C33 C28 C29 C30 -0.9(6) . . . . ?
