#------------------------------------------------------------------------------
#$Date: 2022-05-28 01:49:03 +0300 (Sat, 28 May 2022) $
#$Revision: 275674 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/03/7710359.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_7710359
loop_
_publ_author_name
'King, David M.'
'Atkinson, Benjamin E.'
'Chatelain, Lucile'
'Gregson, Matthew'
'Seed, John A.'
'Wooles, Ashley J.'
'Kaltsoyannis, Nikolas'
'Liddle, Stephen T.'
_publ_section_title
;
 Uranium--nitride chemistry: uranium--uranium electronic communication
 mediated by nitride bridges
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT00998F
_journal_year                    2022
_chemical_formula_moiety         'C66 H150 Li4 N10 Si6 U2'
_chemical_formula_sum            'C66 H150 Li4 N10 Si6 U2'
_chemical_formula_weight         1756.31
_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     heavy
_audit_creation_date             2021-07-05
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-10-15 deposited with the CCDC.	2022-05-20 downloaded from the CCDC.
;
_cell_angle_alpha                100.569(2)
_cell_angle_beta                 105.912(2)
_cell_angle_gamma                110.139(2)
_cell_formula_units_Z            1
_cell_length_a                   11.7485(3)
_cell_length_b                   13.3689(3)
_cell_length_c                   15.0115(4)
_cell_measurement_reflns_used    10181
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      74.1620
_cell_measurement_theta_min      3.2020
_cell_volume                     2025.52(10)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28a (release 18-03-2013 CrysAlis171 .NET)
(compiled Mar 18 2013,11:47:30)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28a (release 18-03-2013 CrysAlis171 .NET)
(compiled Mar 18 2013,11:47:30)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28a (release 18-03-2013 CrysAlis171 .NET)
(compiled Mar 18 2013,11:47:30)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 10.6296
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -46.00  -18.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000   38.0000  -90.0000 28

#__ type_ start__ end____ width___ exp.time_
  2 omega -110.00  -19.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000  -38.0000  120.0000 91

#__ type_ start__ end____ width___ exp.time_
  3 omega  -39.00   35.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000   30.0000  -60.0000 74

#__ type_ start__ end____ width___ exp.time_
  4 omega    7.00   33.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000   38.0000   60.0000 26

#__ type_ start__ end____ width___ exp.time_
  5 omega   63.00  107.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       39.0554 -147.0000 -149.0000 44

#__ type_ start__ end____ width___ exp.time_
  6 omega    6.00   93.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       39.0554 -125.0000   60.0000 87

#__ type_ start__ end____ width___ exp.time_
  7 omega   33.00   86.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      102.8295  -30.0000  -90.0000 53

#__ type_ start__ end____ width___ exp.time_
  8 omega   25.00  143.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      102.8295  -15.0000  -60.0000 118

#__ type_ start__ end____ width___ exp.time_
  9 omega   30.00   91.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      102.8295  -30.0000  150.0000 61

#__ type_ start__ end____ width___ exp.time_
 10 omega   48.00  115.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      102.8295 -125.0000  120.0000 67

#__ type_ start__ end____ width___ exp.time_
 11 omega   32.00   57.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      102.8295  -30.0000 -150.0000 25

#__ type_ start__ end____ width___ exp.time_
 12 omega   40.00   91.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      102.8295  -30.0000   90.0000 51

#__ type_ start__ end____ width___ exp.time_
 13 omega   44.00  123.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      102.8295  -77.0000  150.0000 79

#__ type_ start__ end____ width___ exp.time_
 14 omega   82.00  109.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      102.8295  -94.0000 -120.0000 27

#__ type_ start__ end____ width___ exp.time_
 15 omega   91.00  166.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      102.8295   45.0000  -60.0000 75

#__ type_ start__ end____ width___ exp.time_
 16 omega   93.00  118.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      102.8295 -125.0000   60.0000 25

#__ type_ start__ end____ width___ exp.time_
 17 omega   96.00  122.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      102.8295 -125.0000 -120.0000 26

#__ type_ start__ end____ width___ exp.time_
 18 omega  103.00  161.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      102.8295  125.0000 -120.0000 58

#__ type_ start__ end____ width___ exp.time_
 19 omega   47.00   89.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      102.8295  -45.0000  -30.0000 42

#__ type_ start__ end____ width___ exp.time_
 20 omega   32.00  132.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      102.8295  -77.0000  -90.0000 100
;
_diffrn_measurement_device_type  'GV1000, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0710683000
_diffrn_orient_matrix_UB_12      -0.0341159000
_diffrn_orient_matrix_UB_13      -0.0641157000
_diffrn_orient_matrix_UB_21      -0.1099790000
_diffrn_orient_matrix_UB_22      -0.0130849000
_diffrn_orient_matrix_UB_23      -0.0916175000
_diffrn_orient_matrix_UB_31      0.0732681000
_diffrn_orient_matrix_UB_32      0.1237138000
_diffrn_orient_matrix_UB_33      0.0086109000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0232
_diffrn_reflns_av_unetI/netI     0.0306
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15012
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.518
_diffrn_reflns_theta_min         3.217
_diffrn_source                   'GV1000 (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    12.323
_exptl_absorpt_correction_T_max  0.679
_exptl_absorpt_correction_T_min  0.330
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28a (release 18-03-2013 CrysAlis171 .NET)
(compiled Mar 18 2013,11:47:30)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
;
_exptl_crystal_colour            'clear reddish red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.440
_exptl_crystal_description       block
_exptl_crystal_F_000             896
_exptl_crystal_size_max          0.1466
_exptl_crystal_size_mid          0.0978
_exptl_crystal_size_min          0.0508
_refine_diff_density_max         1.305
_refine_diff_density_min         -0.982
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     414
_refine_ls_number_reflns         8018
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0198
_refine_ls_R_factor_gt           0.0190
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0256P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0448
_refine_ls_wR_factor_ref         0.0453
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7784
_reflns_number_total             8018
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt00998f2.cif
_cod_data_source_block           2
_cod_original_cell_volume        2025.53(10)
_cod_database_code               7710359
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C66 H150 N10 Li4 Si6 U2'
_chemical_oxdiff_usercomment
'UDKIOU #12699 IN FOMBLIN FILM ON MICROMOUNT FOR DMK/STL'
_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.
;
_reflns_odcompleteness_completeness 99.72
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     67.13
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C1(H1), C4(H4), C7(H7), C12(H12), C15(H15), C18(H18), C23(H23), C26(H26),
 C29(H29)
2.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C11(H11A,H11B), C21(H21A,H21B), C22(H22A,H22B), C32(H32A,
 H32B), C33(H33A,H33B)
2.c Me refined with riding coordinates:
 C16(H16A,H16B,H16C)
2.d Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C8(H8A,
 H8B,H8C), C9(H9A,H9B,H9C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C17(H17A,
 H17B,H17C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C24(H24A,H24B,H24C),
 C25(H25A,H25B,H25C), C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C30(H30A,H30B,
 H30C), C31(H31A,H31B,H31C)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
U1 U 0.56638(2) 0.93602(2) 0.57371(2) 0.01071(3) Uani 1 1 d . . . . .
Si1 Si 0.32812(7) 0.76939(6) 0.67246(5) 0.01644(13) Uani 1 1 d . . . . .
Si2 Si 0.92048(6) 1.08605(5) 0.74266(5) 0.01511(13) Uani 1 1 d . . . . .
Si3 Si 0.33227(6) 0.57062(5) 0.18316(5) 0.01447(12) Uani 1 1 d . . . . .
N1 N 0.4684(2) 0.80644(17) 0.64805(16) 0.0156(4) Uani 1 1 d . . . . .
N2 N 0.7923(2) 0.99112(17) 0.63937(15) 0.0147(4) Uani 1 1 d . . . . .
N3 N 0.3864(2) 0.67473(18) 0.28985(15) 0.0164(4) Uani 1 1 d . . . . .
N4 N 0.6206(2) 0.74948(17) 0.53729(15) 0.0147(4) Uani 1 1 d . . . . .
N5 N 0.5376(2) 1.08737(17) 0.58057(15) 0.0129(4) Uani 1 1 d . . . . .
C1 C 0.2542(3) 0.8665(2) 0.6298(2) 0.0207(5) Uani 1 1 d . . . . .
H1 H 0.271210 0.873851 0.569055 0.025 Uiso 1 1 calc R . . . .
C2 C 0.1066(3) 0.8244(3) 0.6022(2) 0.0293(6) Uani 1 1 d . . . . .
H2A H 0.062672 0.753572 0.548971 0.044 Uiso 1 1 calc GR . . . .
H2B H 0.078544 0.880058 0.581067 0.044 Uiso 1 1 calc GR . . . .
H2C H 0.083983 0.812603 0.658732 0.044 Uiso 1 1 calc GR . . . .
C3 C 0.3221(3) 0.9852(2) 0.7020(2) 0.0250(6) Uani 1 1 d . . . . .
H3A H 0.295252 0.985231 0.758369 0.038 Uiso 1 1 calc GR . . . .
H3B H 0.297584 1.036417 0.670176 0.038 Uiso 1 1 calc GR . . . .
H3C H 0.416684 1.009815 0.723704 0.038 Uiso 1 1 calc GR . . . .
C4 C 0.2008(3) 0.6189(2) 0.6037(2) 0.0261(6) Uani 1 1 d . . . . .
H4 H 0.117587 0.615481 0.610966 0.031 Uiso 1 1 calc R . . . .
C5 C 0.2305(4) 0.5295(3) 0.6442(3) 0.0397(8) Uani 1 1 d . . . . .
H5A H 0.313060 0.531233 0.640490 0.060 Uiso 1 1 calc GR . . . .
H5B H 0.160281 0.455480 0.605844 0.060 Uiso 1 1 calc GR . . . .
H5C H 0.236996 0.544840 0.712278 0.060 Uiso 1 1 calc GR . . . .
C6 C 0.1739(3) 0.5874(3) 0.4946(2) 0.0310(7) Uani 1 1 d . . . . .
H6A H 0.163496 0.648037 0.470034 0.047 Uiso 1 1 calc GR . . . .
H6B H 0.093895 0.518487 0.460720 0.047 Uiso 1 1 calc GR . . . .
H6C H 0.246974 0.575449 0.482867 0.047 Uiso 1 1 calc GR . . . .
C7 C 0.3544(3) 0.7806(3) 0.8056(2) 0.0247(6) Uani 1 1 d . . . . .
H7 H 0.367948 0.712947 0.815430 0.030 Uiso 1 1 calc R . . . .
C8 C 0.2327(3) 0.7734(3) 0.8296(2) 0.0323(7) Uani 1 1 d . . . . .
H8A H 0.215208 0.838471 0.821814 0.048 Uiso 1 1 calc GR . . . .
H8B H 0.248073 0.772467 0.896958 0.048 Uiso 1 1 calc GR . . . .
H8C H 0.157618 0.704680 0.785354 0.048 Uiso 1 1 calc GR . . . .
C9 C 0.4754(3) 0.8816(3) 0.8796(2) 0.0338(7) Uani 1 1 d . . . . .
H9A H 0.552929 0.880742 0.867453 0.051 Uiso 1 1 calc GR . . . .
H9B H 0.483582 0.878061 0.945611 0.051 Uiso 1 1 calc GR . . . .
H9C H 0.467337 0.950751 0.873275 0.051 Uiso 1 1 calc GR . . . .
C10 C 0.5548(3) 0.7508(2) 0.67992(18) 0.0174(5) Uani 1 1 d . . . . .
H10A H 0.520679 0.703344 0.718307 0.021 Uiso 1 1 calc R . . . .
H10B H 0.642868 0.808325 0.722513 0.021 Uiso 1 1 calc R . . . .
C11 C 0.5642(2) 0.6784(2) 0.59314(18) 0.0164(5) Uani 1 1 d . . . . .
H11A H 0.619785 0.640186 0.616455 0.020 Uiso 1 1 calc R . . . .
H11B H 0.476387 0.620392 0.550416 0.020 Uiso 1 1 calc R . . . .
C12 C 0.8507(3) 1.1445(2) 0.82909(19) 0.0198(5) Uani 1 1 d . . . . .
H12 H 0.805143 1.185827 0.795772 0.024 Uiso 1 1 calc R . . . .
C13 C 0.7490(3) 1.0558(3) 0.8519(2) 0.0275(6) Uani 1 1 d . . . . .
H13A H 0.676854 1.005509 0.791149 0.041 Uiso 1 1 calc GR . . . .
H13B H 0.715955 1.092597 0.894753 0.041 Uiso 1 1 calc GR . . . .
H13C H 0.789229 1.012465 0.884252 0.041 Uiso 1 1 calc GR . . . .
C14 C 0.9570(3) 1.2302(2) 0.9243(2) 0.0258(6) Uani 1 1 d . . . . .
H14A H 1.000890 1.192457 0.961686 0.039 Uiso 1 1 calc GR . . . .
H14B H 0.917460 1.265069 0.962620 0.039 Uiso 1 1 calc GR . . . .
H14C H 1.020594 1.287997 0.909516 0.039 Uiso 1 1 calc GR . . . .
C15 C 1.0260(3) 1.2110(2) 0.7146(2) 0.0222(5) Uani 1 1 d . . . . .
H15 H 1.096471 1.264975 0.777064 0.027 Uiso 1 1 calc R . . . .
C16 C 0.9451(3) 1.2703(2) 0.6706(2) 0.0270(6) Uani 1 1 d . . . . .
H16A H 0.904119 1.292051 0.714949 0.040 Uiso 1 1 calc R . . . .
H16B H 1.001774 1.337356 0.660699 0.040 Uiso 1 1 calc R . . . .
H16C H 0.877544 1.219654 0.607945 0.040 Uiso 1 1 calc R . . . .
C17 C 1.0902(3) 1.1771(3) 0.6448(2) 0.0275(6) Uani 1 1 d . . . . .
H17A H 1.146403 1.143144 0.674583 0.041 Uiso 1 1 calc GR . . . .
H17B H 1.142580 1.243564 0.631713 0.041 Uiso 1 1 calc GR . . . .
H17C H 1.022560 1.122864 0.583516 0.041 Uiso 1 1 calc GR . . . .
C18 C 1.0353(3) 1.0246(2) 0.8019(2) 0.0233(6) Uani 1 1 d . . . . .
H18 H 1.047958 0.979784 0.747409 0.028 Uiso 1 1 calc R . . . .
C19 C 0.9791(3) 0.9424(3) 0.8545(2) 0.0309(6) Uani 1 1 d . . . . .
H19A H 0.972910 0.983573 0.912820 0.046 Uiso 1 1 calc GR . . . .
H19B H 1.036391 0.905117 0.873313 0.046 Uiso 1 1 calc GR . . . .
H19C H 0.892221 0.886263 0.810778 0.046 Uiso 1 1 calc GR . . . .
C20 C 1.1724(3) 1.1112(3) 0.8711(2) 0.0315(7) Uani 1 1 d . . . . .
H20A H 1.211238 1.161223 0.837017 0.047 Uiso 1 1 calc GR . . . .
H20B H 1.226982 1.072367 0.892242 0.047 Uiso 1 1 calc GR . . . .
H20C H 1.166150 1.155150 0.928016 0.047 Uiso 1 1 calc GR . . . .
C21 C 0.8207(2) 0.9165(2) 0.57160(18) 0.0178(5) Uani 1 1 d . . . . .
H21A H 0.916140 0.944235 0.588869 0.021 Uiso 1 1 calc R . . . .
H21B H 0.781936 0.917299 0.504409 0.021 Uiso 1 1 calc R . . . .
C22 C 0.7656(2) 0.7971(2) 0.57617(18) 0.0170(5) Uani 1 1 d . . . . .
H22A H 0.795326 0.750472 0.537277 0.020 Uiso 1 1 calc R . . . .
H22B H 0.797633 0.797086 0.644412 0.020 Uiso 1 1 calc R . . . .
C23 C 0.1669(3) 0.4508(2) 0.15170(19) 0.0200(5) Uani 1 1 d . . . . .
H23 H 0.146578 0.399610 0.086367 0.024 Uiso 1 1 calc R . . . .
C24 C 0.0564(3) 0.4877(3) 0.1409(3) 0.0409(8) Uani 1 1 d . . . . .
H24A H 0.068873 0.534594 0.204267 0.061 Uiso 1 1 calc GR . . . .
H24B H -0.026800 0.421666 0.116832 0.061 Uiso 1 1 calc GR . . . .
H24C H 0.055740 0.530762 0.094598 0.061 Uiso 1 1 calc GR . . . .
C25 C 0.1636(3) 0.3797(3) 0.2208(3) 0.0356(7) Uani 1 1 d . . . . .
H25A H 0.235890 0.357063 0.229177 0.053 Uiso 1 1 calc GR . . . .
H25B H 0.080865 0.312929 0.193361 0.053 Uiso 1 1 calc GR . . . .
H25C H 0.172100 0.423627 0.284057 0.053 Uiso 1 1 calc GR . . . .
C26 C 0.3122(3) 0.6377(2) 0.08190(19) 0.0197(5) Uani 1 1 d . . . . .
H26 H 0.229533 0.647641 0.071964 0.024 Uiso 1 1 calc R . . . .
C27 C 0.2947(3) 0.5627(3) -0.0166(2) 0.0272(6) Uani 1 1 d . . . . .
H27A H 0.375447 0.554035 -0.011802 0.041 Uiso 1 1 calc GR . . . .
H27B H 0.273942 0.597380 -0.067347 0.041 Uiso 1 1 calc GR . . . .
H27C H 0.223474 0.489003 -0.033202 0.041 Uiso 1 1 calc GR . . . .
C28 C 0.4203(4) 0.7548(3) 0.1083(3) 0.0372(8) Uani 1 1 d . . . . .
H28A H 0.417834 0.805438 0.163236 0.056 Uiso 1 1 calc GR . . . .
H28B H 0.407069 0.782837 0.052155 0.056 Uiso 1 1 calc GR . . . .
H28C H 0.505051 0.750940 0.126515 0.056 Uiso 1 1 calc GR . . . .
C29 C 0.4514(3) 0.5029(2) 0.1849(2) 0.0199(5) Uani 1 1 d . . . . .
H29 H 0.471404 0.486843 0.248506 0.024 Uiso 1 1 calc R . . . .
C30 C 0.4008(3) 0.3901(3) 0.1062(2) 0.0287(6) Uani 1 1 d . . . . .
H30A H 0.320771 0.337282 0.109074 0.043 Uiso 1 1 calc GR . . . .
H30B H 0.466874 0.360079 0.117562 0.043 Uiso 1 1 calc GR . . . .
H30C H 0.382442 0.401124 0.041892 0.043 Uiso 1 1 calc GR . . . .
C31 C 0.5825(3) 0.5838(3) 0.1864(2) 0.0261(6) Uani 1 1 d . . . . .
H31A H 0.570134 0.598521 0.123646 0.039 Uiso 1 1 calc GR . . . .
H31B H 0.645020 0.550012 0.198022 0.039 Uiso 1 1 calc GR . . . .
H31C H 0.615837 0.654247 0.238485 0.039 Uiso 1 1 calc GR . . . .
C32 C 0.4234(2) 0.6476(2) 0.38096(18) 0.0159(5) Uani 1 1 d . . . . .
H32A H 0.379743 0.565502 0.366800 0.019 Uiso 1 1 calc R . . . .
H32B H 0.390498 0.682631 0.426126 0.019 Uiso 1 1 calc R . . . .
C33 C 0.5720(2) 0.6863(2) 0.43289(18) 0.0170(5) Uani 1 1 d . . . . .
H33A H 0.591885 0.619761 0.426552 0.020 Uiso 1 1 calc R . . . .
H33B H 0.618825 0.734084 0.399857 0.020 Uiso 1 1 calc R . . . .
Li1 Li 0.3098(4) 0.7650(4) 0.3492(3) 0.0213(9) Uani 1 1 d . . . . .
Li2 Li 0.4970(5) 1.1673(4) 0.6815(3) 0.0218(9) Uani 1 1 d . . . . .
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'
Li Li 0.0008 0.0003 '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'
U U -4.3638 13.4090 '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
_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
0 8 -4 0.0712 0.1496 8.0053 -4.1795 0.0055 0.2617 0.9653
-4 2 -6 0.0264 -4.2070 1.8300 -6.0246 0.0249 0.9907 -0.1337
0 -8 4 0.0743 -0.1973 -7.9960 4.1176 -0.0052 -0.2509 -0.9682
4 -2 6 0.0396 4.2070 -1.8300 6.0246 -0.0249 -0.9907 0.1337
1 8 -2 0.0791 0.5591 7.8303 -1.7986 -0.1121 0.0008 0.9942
-5 7 4 0.0582 -4.6937 6.7394 4.4493 -0.8488 0.0204 0.5282
-6 4 7 0.0545 -6.1365 4.0865 6.5112 -0.9930 0.0249 0.1120
-6 0 7 0.0616 -6.2472 -0.3124 7.2858 -0.9005 0.0236 -0.4336
-1 -8 2 0.0755 -0.9454 -7.6711 2.2228 0.0520 0.0007 -0.9991
6 -3 -7 0.0394 6.3749 -2.8859 -6.9639 0.9980 -0.0253 0.0501
4 -2 7 0.0248 3.5248 -1.5551 6.7308 -0.1280 -0.9840 0.1238
-2 0 -8 0.0183 -2.1260 0.2623 -7.5927 0.3268 0.9260 -0.1887
-7 2 0 0.0370 -7.3534 2.4630 0.4028 -0.6324 0.7396 -0.2306
0 8 -1 0.0647 0.4055 7.8302 -1.2616 -0.1574 -0.0315 0.9876
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
N1 U1 N4 69.19(7) . . ?
N2 U1 N1 107.76(7) . . ?
N2 U1 N4 70.44(7) . . ?
N5 U1 N1 121.25(8) . . ?
N5 U1 N1 118.79(8) 2_676 . ?
N5 U1 N2 106.48(8) . . ?
N5 U1 N2 122.36(7) 2_676 . ?
N5 U1 N4 169.22(7) . . ?
N5 U1 N4 95.44(7) 2_676 . ?
N5 U1 N5 77.34(8) . 2_676 ?
N1 Si1 C1 104.08(11) . . ?
N1 Si1 C4 115.50(12) . . ?
N1 Si1 C7 114.08(12) . . ?
C1 Si1 C4 107.29(13) . . ?
C1 Si1 C7 112.27(13) . . ?
C7 Si1 C4 103.66(14) . . ?
N2 Si2 C12 107.99(11) . . ?
N2 Si2 C15 111.40(11) . . ?
N2 Si2 C18 113.07(12) . . ?
C12 Si2 C15 105.89(13) . . ?
C12 Si2 C18 112.62(12) . . ?
C15 Si2 C18 105.67(13) . . ?
N3 Si3 C23 115.71(11) . . ?
N3 Si3 C26 106.55(11) . . ?
N3 Si3 C29 110.82(11) . . ?
C23 Si3 C29 105.80(12) . . ?
C26 Si3 C23 105.99(12) . . ?
C26 Si3 C29 111.98(12) . . ?
Si1 N1 U1 134.12(12) . . ?
C10 N1 U1 108.41(15) . . ?
C10 N1 Si1 117.46(16) . . ?
Si2 N2 U1 136.73(11) . . ?
C21 N2 U1 105.78(14) . . ?
C21 N2 Si2 117.41(16) . . ?
Si3 N3 Li1 134.66(19) . . ?
Si3 N3 Li2 125.96(18) . 2_676 ?
C32 N3 Si3 117.58(17) . . ?
C32 N3 Li1 88.3(2) . . ?
C32 N3 Li2 105.9(2) . 2_676 ?
Li1 N3 Li2 73.2(2) . 2_676 ?
C11 N4 U1 106.51(14) . . ?
C11 N4 C22 111.9(2) . . ?
C22 N4 U1 103.76(14) . . ?
C33 N4 U1 114.16(15) . . ?
C33 N4 C11 111.61(19) . . ?
C33 N4 C22 108.73(19) . . ?
U1 N5 U1 102.66(8) . 2_676 ?
Li1 N5 U1 119.16(17) 2_676 . ?
Li1 N5 U1 114.60(17) 2_676 2_676 ?
Li2 N5 U1 126.61(17) . . ?
Li2 N5 U1 119.41(18) . 2_676 ?
Li2 N5 Li1 72.8(2) . 2_676 ?
Si1 C1 H1 106.0 . . ?
C2 C1 Si1 116.0(2) . . ?
C2 C1 H1 106.0 . . ?
C2 C1 C3 109.5(2) . . ?
C3 C1 Si1 112.5(2) . . ?
C3 C1 H1 106.0 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si1 C4 H4 106.4 . . ?
C5 C4 Si1 114.7(2) . . ?
C5 C4 H4 106.4 . . ?
C6 C4 Si1 112.7(2) . . ?
C6 C4 H4 106.4 . . ?
C6 C4 C5 109.6(3) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si1 C7 H7 105.9 . . ?
C8 C7 Si1 112.5(2) . . ?
C8 C7 H7 105.9 . . ?
C9 C7 Si1 115.28(19) . . ?
C9 C7 H7 105.9 . . ?
C9 C7 C8 110.5(3) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N1 C10 H10A 109.3 . . ?
N1 C10 H10B 109.3 . . ?
N1 C10 C11 111.5(2) . . ?
H10A C10 H10B 108.0 . . ?
C11 C10 H10A 109.3 . . ?
C11 C10 H10B 109.3 . . ?
N4 C11 C10 109.8(2) . . ?
N4 C11 H11A 109.7 . . ?
N4 C11 H11B 109.7 . . ?
C10 C11 H11A 109.7 . . ?
C10 C11 H11B 109.7 . . ?
H11A C11 H11B 108.2 . . ?
Si2 C12 H12 106.5 . . ?
C13 C12 Si2 114.69(19) . . ?
C13 C12 H12 106.5 . . ?
C13 C12 C14 109.7(2) . . ?
C14 C12 Si2 112.45(19) . . ?
C14 C12 H12 106.5 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si2 C15 H15 108.3 . . ?
C16 C15 Si2 110.35(19) . . ?
C16 C15 H15 108.3 . . ?
C16 C15 C17 109.3(2) . . ?
C17 C15 Si2 112.2(2) . . ?
C17 C15 H15 108.3 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si2 C18 H18 106.0 . . ?
C19 C18 Si2 114.2(2) . . ?
C19 C18 H18 106.0 . . ?
C19 C18 C20 108.8(2) . . ?
C20 C18 Si2 115.2(2) . . ?
C20 C18 H18 106.0 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N2 C21 H21A 109.5 . . ?
N2 C21 H21B 109.5 . . ?
N2 C21 C22 110.6(2) . . ?
H21A C21 H21B 108.1 . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
N4 C22 C21 109.7(2) . . ?
N4 C22 H22A 109.7 . . ?
N4 C22 H22B 109.7 . . ?
C21 C22 H22A 109.7 . . ?
C21 C22 H22B 109.7 . . ?
H22A C22 H22B 108.2 . . ?
Si3 C23 H23 106.2 . . ?
C24 C23 Si3 113.6(2) . . ?
C24 C23 H23 106.2 . . ?
C24 C23 C25 109.1(3) . . ?
C25 C23 Si3 114.7(2) . . ?
C25 C23 H23 106.2 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si3 C26 H26 106.3 . . ?
C27 C26 Si3 113.29(19) . . ?
C27 C26 H26 106.3 . . ?
C28 C26 Si3 113.5(2) . . ?
C28 C26 H26 106.3 . . ?
C28 C26 C27 110.7(3) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si3 C29 H29 105.7 . . ?
C30 C29 Si3 116.5(2) . . ?
C30 C29 H29 105.7 . . ?
C31 C29 Si3 112.35(19) . . ?
C31 C29 H29 105.7 . . ?
C31 C29 C30 110.0(2) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N3 C32 H32A 108.6 . . ?
N3 C32 H32B 108.6 . . ?
N3 C32 C33 114.7(2) . . ?
H32A C32 H32B 107.6 . . ?
C33 C32 H32A 108.6 . . ?
C33 C32 H32B 108.6 . . ?
N4 C33 C32 113.2(2) . . ?
N4 C33 H33A 108.9 . . ?
N4 C33 H33B 108.9 . . ?
C32 C33 H33A 108.9 . . ?
C32 C33 H33B 108.9 . . ?
H33A C33 H33B 107.7 . . ?
N3 Li1 U1 126.7(2) . 2_676 ?
N3 Li1 N5 102.3(2) . 2_676 ?
N3 Li1 C16 133.4(2) . 2_676 ?
N3 Li1 Li2 53.47(17) . 2_676 ?
N5 Li1 U1 31.69(10) 2_676 2_676 ?
N5 Li1 C16 123.6(2) 2_676 2_676 ?
N5 Li1 Li2 52.76(17) 2_676 2_676 ?
C16 Li1 U1 94.87(14) 2_676 2_676 ?
Li2 Li1 U1 73.25(16) 2_676 2_676 ?
Li2 Li1 C16 156.0(3) 2_676 2_676 ?
N3 Li2 U1 100.38(18) 2_676 2_676 ?
N3 Li2 C32 30.77(11) 2_676 2_676 ?
N5 Li2 U1 32.34(11) . 2_676 ?
N5 Li2 N3 103.8(2) . 2_676 ?
N5 Li2 C32 88.16(18) . 2_676 ?
C32 Li2 U1 73.32(12) 2_676 2_676 ?
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
U1 N1 2.369(2) . ?
U1 N2 2.348(2) . ?
U1 N3 4.398(2) . ?
U1 N4 2.776(2) . ?
U1 N5 2.208(2) 2_676 ?
U1 N5 2.153(2) . ?
Si1 N1 1.712(2) . ?
Si1 C1 1.904(3) . ?
Si1 C4 1.915(3) . ?
Si1 C7 1.906(3) . ?
Si2 N2 1.722(2) . ?
Si2 C12 1.902(3) . ?
Si2 C15 1.904(3) . ?
Si2 C18 1.913(3) . ?
Si3 N3 1.709(2) . ?
Si3 C23 1.908(3) . ?
Si3 C26 1.903(3) . ?
Si3 C29 1.908(3) . ?
N1 C10 1.483(3) . ?
N2 C21 1.478(3) . ?
N3 C32 1.468(3) . ?
N3 Li1 1.964(5) . ?
N3 Li2 1.968(5) 2_676 ?
N4 C11 1.486(3) . ?
N4 C22 1.490(3) . ?
N4 C33 1.479(3) . ?
N5 Li1 1.996(5) 2_676 ?
N5 Li2 1.953(5) . ?
C1 H1 1.0000 . ?
C1 C2 1.532(4) . ?
C1 C3 1.534(4) . ?
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 H4 1.0000 . ?
C4 C5 1.535(5) . ?
C4 C6 1.527(5) . ?
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 H7 1.0000 . ?
C7 C8 1.543(4) . ?
C7 C9 1.531(4) . ?
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 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.528(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12 1.0000 . ?
C12 C13 1.533(4) . ?
C12 C14 1.533(4) . ?
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 H15 1.0000 . ?
C15 C16 1.528(4) . ?
C15 C17 1.539(4) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18 1.0000 . ?
C18 C19 1.539(4) . ?
C18 C20 1.540(4) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.525(4) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23 1.0000 . ?
C23 C24 1.521(4) . ?
C23 C25 1.529(4) . ?
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 H26 1.0000 . ?
C26 C27 1.543(4) . ?
C26 C28 1.532(4) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29 1.0000 . ?
C29 C30 1.539(4) . ?
C29 C31 1.538(4) . ?
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 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C33 1.551(3) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
Li1 Li2 2.344(6) 2_676 ?
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
U1 N1 C10 C11 -66.0(2) . . . . ?
U1 N2 C21 C22 -69.2(2) . . . . ?
U1 N4 C11 C10 -25.2(2) . . . . ?
U1 N4 C22 C21 -27.7(2) . . . . ?
U1 N4 C33 C32 -56.2(2) . . . . ?
Si1 N1 C10 C11 115.2(2) . . . . ?
Si2 N2 C21 C22 108.0(2) . . . . ?
Si3 N3 C32 C33 99.8(2) . . . . ?
N1 C10 C11 N4 61.4(3) . . . . ?
N2 C21 C22 N4 66.9(3) . . . . ?
N3 C32 C33 N4 130.0(2) . . . . ?
C1 Si1 N1 U1 -2.80(19) . . . . ?
C1 Si1 N1 C10 175.64(18) . . . . ?
C4 Si1 N1 U1 114.53(17) . . . . ?
C4 Si1 N1 C10 -67.0(2) . . . . ?
C7 Si1 N1 U1 -125.48(17) . . . . ?
C7 Si1 N1 C10 53.0(2) . . . . ?
C11 N4 C22 C21 -142.1(2) . . . . ?
C11 N4 C33 C32 64.6(3) . . . . ?
C12 Si2 N2 U1 9.5(2) . . . . ?
C12 Si2 N2 C21 -166.58(18) . . . . ?
C15 Si2 N2 U1 -106.37(18) . . . . ?
C15 Si2 N2 C21 77.5(2) . . . . ?
C18 Si2 N2 U1 134.82(17) . . . . ?
C18 Si2 N2 C21 -41.3(2) . . . . ?
C22 N4 C11 C10 87.5(2) . . . . ?
C22 N4 C33 C32 -171.5(2) . . . . ?
C23 Si3 N3 C32 68.9(2) . . . . ?
C23 Si3 N3 Li1 -49.1(3) . . . . ?
C23 Si3 N3 Li2 -151.5(2) . . . 2_676 ?
C26 Si3 N3 C32 -173.59(18) . . . . ?
C26 Si3 N3 Li1 68.4(3) . . . . ?
C26 Si3 N3 Li2 -34.0(3) . . . 2_676 ?
C29 Si3 N3 C32 -51.5(2) . . . . ?
C29 Si3 N3 Li1 -169.5(3) . . . . ?
C29 Si3 N3 Li2 88.1(2) . . . 2_676 ?
C33 N4 C11 C10 -150.4(2) . . . . ?
C33 N4 C22 C21 94.2(2) . . . . ?
Li1 N3 C32 C33 -119.1(2) . . . . ?
Li2 N3 C32 C33 -47.1(3) 2_676 . . . ?
