#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:54:35 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178796 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/50/4105067.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_4105067
loop_
_publ_author_name
'Stefan G. Minasian'
'Jamin L. Krinsky'
'Jeffrey D. Rinehart'
'Roy Copping'
'Tolek Tyliszczak'
'Markus Janousch'
'David K. Shuh'
'John Arnold'
_publ_section_title
;
 A Comparison of 4f vs 5f Metal-Metal Bonds in (CpSiMe3)3M-ECp* (M = Nd,
 U; E = Al, Ga; Cp* = C5Me5): Synthesis, Thermodynamics, Magnetism, and
 Electronic Structure
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13767
_journal_page_last               13783
_journal_paper_doi               10.1021/ja904565j
_journal_volume                  131
_journal_year                    2009
_chemical_formula_moiety         '2(C34 H54 Ga Nd Si3), (C32 H54 Nd2 O2 Si4)'
_chemical_formula_sum            'C100 H162 Ga2 Nd4 O2 Si10'
_chemical_formula_weight         2393.60
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.5800(10)
_cell_angle_beta                 103.0090(10)
_cell_angle_gamma                109.1190(10)
_cell_formula_units_Z            1
_cell_length_a                   13.1352(10)
_cell_length_b                   13.1883(10)
_cell_length_c                   17.8240(13)
_cell_measurement_reflns_used    4934
_cell_measurement_temperature    131(2)
_cell_measurement_theta_max      25.895
_cell_measurement_theta_min      2.356
_cell_volume                     2830.7(4)
_computing_cell_refinement       'Bruker SAINT v7.07'
_computing_data_collection       'Bruker SMART v5.631'
_computing_data_reduction        'Bruker SAINT v7.07'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      131(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0301
_diffrn_reflns_av_sigmaI/netI    0.0558
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            18504
_diffrn_reflns_theta_full        26.41
_diffrn_reflns_theta_max         26.41
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    2.417
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.7115
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            'light green'
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_description       needle
_exptl_crystal_F_000             1220
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.388
_refine_diff_density_min         -1.024
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     688
_refine_ls_number_reflns         11362
_refine_ls_number_restraints     202
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0396
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0458P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0893
_refine_ls_wR_factor_ref         0.0979
_reflns_number_gt                9231
_reflns_number_total             11362
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja904565j_si_004.cif
_cod_data_source_block           sgm5892s
_cod_database_code               4105067
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Nd1 Nd 0.421407(18) 0.868227(17) 0.244623(13) 0.01946(7) Uani 1 1 d . A .
Nd2 Nd 1.028587(19) 1.134483(19) 0.460463(13) 0.02458(7) Uani 1 1 d . . .
Si2 Si 0.38529(10) 0.58026(10) 0.36200(7) 0.0260(3) Uani 1 1 d . A .
Si3 Si 0.50555(10) 1.19619(10) 0.29186(7) 0.0264(3) Uani 1 1 d . A .
Si4 Si 1.00912(11) 1.16960(11) 0.23235(7) 0.0290(3) Uani 1 1 d . . .
Si5 Si 1.07840(11) 1.33400(10) 0.64575(8) 0.0312(3) Uani 1 1 d . . .
Ga1 Ga 0.39801(4) 0.69359(4) 0.11376(3) 0.03012(13) Uani 1 1 d . . .
O1 O 0.9093(2) 0.9547(2) 0.43595(16) 0.0288(7) Uani 1 1 d . . .
H1A H 0.9316 0.9412 0.3976 0.043 Uiso 1 1 calc R . .
C1A C 0.4685(7) 0.5599(7) 0.0914(6) 0.021(3) Uani 0.495(5) 1 d PD A 1
C2A C 0.3575(7) 0.5285(8) 0.0459(7) 0.027(3) Uani 0.495(5) 1 d PD A 1
C3A C 0.3511(10) 0.6075(16) -0.0063(15) 0.038(5) Uani 0.495(5) 1 d PD A 1
C4A C 0.4579(8) 0.6867(8) 0.0061(6) 0.026(3) Uani 0.495(5) 1 d PD A 1
C5A C 0.5306(8) 0.6575(11) 0.0669(11) 0.026(4) Uani 0.495(5) 1 d PD A 1
C6A C 0.5142(10) 0.4937(8) 0.1493(6) 0.049(3) Uani 0.495(5) 1 d PD A 1
H6AA H 0.5632 0.4651 0.1285 0.074 Uiso 0.495(5) 1 calc PR A 1
H6AB H 0.4528 0.4339 0.1597 0.074 Uiso 0.495(5) 1 calc PR A 1
H6AC H 0.5563 0.5392 0.1975 0.074 Uiso 0.495(5) 1 calc PR A 1
C7A C 0.2659(8) 0.4256(7) 0.0507(6) 0.045(3) Uani 0.495(5) 1 d PD A 1
H7AA H 0.2631 0.3695 0.0131 0.068 Uiso 0.495(5) 1 calc PR A 1
H7AB H 0.1946 0.4381 0.0392 0.068 Uiso 0.495(5) 1 calc PR A 1
H7AC H 0.2803 0.4023 0.1029 0.068 Uiso 0.495(5) 1 calc PR A 1
C8A C 0.2501(9) 0.6015(10) -0.0695(5) 0.055(4) Uani 0.495(5) 1 d PD A 1
H8AA H 0.2497 0.5609 -0.1160 0.083 Uiso 0.495(5) 1 calc PR A 1
H8AB H 0.2526 0.6746 -0.0814 0.083 Uiso 0.495(5) 1 calc PR A 1
H8AC H 0.1827 0.5653 -0.0520 0.083 Uiso 0.495(5) 1 calc PR A 1
C9A C 0.4919(10) 0.7842(8) -0.0376(6) 0.050(3) Uani 0.495(5) 1 d PD A 1
H9AA H 0.5268 0.7687 -0.0774 0.075 Uiso 0.495(5) 1 calc PR A 1
H9AB H 0.5449 0.8451 -0.0018 0.075 Uiso 0.495(5) 1 calc PR A 1
H9AC H 0.4262 0.8024 -0.0621 0.075 Uiso 0.495(5) 1 calc PR A 1
C10A C 0.6528(7) 0.7168(9) 0.0976(7) 0.052(4) Uani 0.495(5) 1 d PD A 1
H10A H 0.6950 0.6804 0.0756 0.077 Uiso 0.495(5) 1 calc PR A 1
H10B H 0.6721 0.7176 0.1540 0.077 Uiso 0.495(5) 1 calc PR A 1
H10C H 0.6710 0.7909 0.0831 0.077 Uiso 0.495(5) 1 calc PR A 1
C1B C 0.4167(11) 0.5387(8) 0.0651(7) 0.031(4) Uani 0.505(5) 1 d PD A 2
C2B C 0.3431(11) 0.5707(18) 0.0067(18) 0.044(4) Uani 0.505(5) 1 d PD A 2
C3B C 0.4047(10) 0.6690(10) -0.0179(7) 0.032(3) Uani 0.505(5) 1 d PD A 2
C4B C 0.5158(8) 0.6984(8) 0.0261(8) 0.028(3) Uani 0.505(5) 1 d PD A 2
C5B C 0.5232(10) 0.6188(14) 0.0779(12) 0.037(4) Uani 0.505(5) 1 d PD A 2
C6B C 0.3914(14) 0.4366(9) 0.1054(8) 0.077(5) Uani 0.505(5) 1 d PD A 2
H6B1 H 0.4168 0.3848 0.0818 0.115 Uiso 0.505(5) 1 calc PR A 2
H6B2 H 0.3111 0.4055 0.1002 0.115 Uiso 0.505(5) 1 calc PR A 2
H6B3 H 0.4298 0.4530 0.1603 0.115 Uiso 0.505(5) 1 calc PR A 2
C7B C 0.2232(8) 0.5031(10) -0.0293(7) 0.060(4) Uani 0.505(5) 1 d PD A 2
H7BB H 0.1775 0.5495 -0.0371 0.090 Uiso 0.505(5) 1 calc PR A 2
H7BA H 0.1965 0.4483 0.0051 0.090 Uiso 0.505(5) 1 calc PR A 2
H7BC H 0.2182 0.4676 -0.0793 0.090 Uiso 0.505(5) 1 calc PR A 2
C8B C 0.3590(10) 0.7286(9) -0.0824(5) 0.048(3) Uani 0.505(5) 1 d PD A 2
H8BB H 0.3818 0.8050 -0.0645 0.072 Uiso 0.505(5) 1 calc PR A 2
H8BA H 0.2777 0.6978 -0.0967 0.072 Uiso 0.505(5) 1 calc PR A 2
H8BC H 0.3880 0.7212 -0.1275 0.072 Uiso 0.505(5) 1 calc PR A 2
C9B C 0.6094(8) 0.7961(8) 0.0142(6) 0.045(3) Uani 0.505(5) 1 d PD A 2
H9BC H 0.5829 0.8575 0.0061 0.068 Uiso 0.505(5) 1 calc PR A 2
H9BA H 0.6340 0.7802 -0.0311 0.068 Uiso 0.505(5) 1 calc PR A 2
H9BB H 0.6716 0.8138 0.0601 0.068 Uiso 0.505(5) 1 calc PR A 2
C10B C 0.6287(9) 0.6162(12) 0.1318(6) 0.059(4) Uani 0.505(5) 1 d PD A 2
H10F H 0.6754 0.6897 0.1535 0.088 Uiso 0.505(5) 1 calc PR A 2
H10D H 0.6689 0.5856 0.1032 0.088 Uiso 0.505(5) 1 calc PR A 2
H10E H 0.6103 0.5717 0.1738 0.088 Uiso 0.505(5) 1 calc PR A 2
C11 C 0.1926(4) 0.8299(4) 0.1816(3) 0.0348(12) Uani 1 1 d D . .
C12 C 0.1977(4) 0.7441(4) 0.2278(4) 0.0521(17) Uani 1 1 d . A .
H12A H 0.1639 0.6659 0.2089 0.063 Uiso 1 1 calc R . .
C13 C 0.2387(4) 0.7840(5) 0.3045(4) 0.0500(16) Uani 1 1 d . . .
H13A H 0.2356 0.7395 0.3496 0.060 Uiso 1 1 calc R A .
C14 C 0.2600(4) 0.8955(4) 0.3080(3) 0.0327(11) Uani 1 1 d . A .
H14A H 0.2735 0.9430 0.3559 0.039 Uiso 1 1 calc R . .
C15 C 0.2297(3) 0.9216(4) 0.2326(3) 0.0265(10) Uani 1 1 d . A .
H15A H 0.2229 0.9927 0.2184 0.032 Uiso 1 1 calc R . .
Si1A Si 0.1138(3) 0.8320(4) 0.0745(2) 0.0298(10) Uani 0.525(10) 1 d PD A 1
C16A C 0.1735(8) 0.9489(9) 0.0219(6) 0.055(4) Uani 0.525(10) 1 d PD A 1
H16A H 0.2445 0.9477 0.0136 0.082 Uiso 0.525(10) 1 calc PR A 1
H16B H 0.1857 1.0158 0.0524 0.082 Uiso 0.525(10) 1 calc PR A 1
H16C H 0.1220 0.9447 -0.0282 0.082 Uiso 0.525(10) 1 calc PR A 1
C17A C -0.0289(12) 0.8268(13) 0.0762(14) 0.044(6) Uani 0.525(10) 1 d PD A 1
H17A H -0.0252 0.8937 0.1029 0.067 Uiso 0.525(10) 1 calc PR A 1
H17B H -0.0627 0.7655 0.1036 0.067 Uiso 0.525(10) 1 calc PR A 1
H17C H -0.0738 0.8185 0.0231 0.067 Uiso 0.525(10) 1 calc PR A 1
C18A C 0.1015(10) 0.7062(9) 0.0200(6) 0.054(4) Uani 0.525(10) 1 d PD A 1
H18A H 0.0482 0.6964 -0.0301 0.081 Uiso 0.525(10) 1 calc PR A 1
H18B H 0.0755 0.6447 0.0496 0.081 Uiso 0.525(10) 1 calc PR A 1
H18C H 0.1741 0.7111 0.0117 0.081 Uiso 0.525(10) 1 calc PR A 1
Si1B Si 0.1059(4) 0.7803(7) 0.0864(3) 0.0439(16) Uani 0.475(10) 1 d PD A 2
C16B C 0.1831(8) 0.8463(12) 0.0145(6) 0.058(5) Uani 0.475(10) 1 d PD A 2
H16D H 0.2099 0.9247 0.0263 0.086 Uiso 0.475(10) 1 calc PR A 2
H16E H 0.1337 0.8273 -0.0375 0.086 Uiso 0.475(10) 1 calc PR A 2
H16F H 0.2465 0.8218 0.0167 0.086 Uiso 0.475(10) 1 calc PR A 2
C17B C -0.0199(12) 0.8195(15) 0.0758(13) 0.067(10) Uani 0.475(10) 1 d PD A 2
H17D H -0.0624 0.7835 0.1125 0.101 Uiso 0.475(10) 1 calc PR A 2
H17E H -0.0660 0.7979 0.0230 0.101 Uiso 0.475(10) 1 calc PR A 2
H17F H 0.0024 0.8978 0.0865 0.101 Uiso 0.475(10) 1 calc PR A 2
C18B C 0.0613(12) 0.6314(9) 0.0668(9) 0.074(5) Uani 0.475(10) 1 d PD A 2
H18D H 0.0040 0.5968 0.0943 0.112 Uiso 0.475(10) 1 calc PR A 2
H18E H 0.1252 0.6075 0.0846 0.112 Uiso 0.475(10) 1 calc PR A 2
H18F H 0.0311 0.6115 0.0111 0.112 Uiso 0.475(10) 1 calc PR A 2
C19 C 0.4727(3) 0.7182(3) 0.3488(2) 0.0238(9) Uani 1 1 d . . .
C20 C 0.5542(4) 0.7423(4) 0.3036(3) 0.0290(10) Uani 1 1 d . A .
H20A H 0.5681 0.6875 0.2719 0.035 Uiso 1 1 calc R . .
C21 C 0.6235(4) 0.8507(4) 0.3213(3) 0.0341(12) Uani 1 1 d . . .
H21A H 0.6959 0.8839 0.3070 0.041 Uiso 1 1 calc R A .
C22 C 0.5853(4) 0.8963(4) 0.3762(3) 0.0372(12) Uani 1 1 d . A .
H22A H 0.6277 0.9666 0.4080 0.045 Uiso 1 1 calc R . .
C23 C 0.4943(4) 0.8156(4) 0.3933(3) 0.0291(10) Uani 1 1 d . A .
H23A H 0.4612 0.8220 0.4376 0.035 Uiso 1 1 calc R . .
C24 C 0.2827(5) 0.5083(4) 0.2706(3) 0.0475(15) Uani 1 1 d . . .
H24A H 0.3169 0.5258 0.2268 0.071 Uiso 1 1 calc R A .
H24B H 0.2174 0.5310 0.2628 0.071 Uiso 1 1 calc R . .
H24C H 0.2600 0.4303 0.2746 0.071 Uiso 1 1 calc R . .
C25 C 0.4808(4) 0.5023(4) 0.3918(3) 0.0432(13) Uani 1 1 d . . .
H25A H 0.5372 0.5389 0.4387 0.065 Uiso 1 1 calc R A .
H25B H 0.5171 0.4971 0.3502 0.065 Uiso 1 1 calc R . .
H25C H 0.4383 0.4297 0.4021 0.065 Uiso 1 1 calc R . .
C26 C 0.3111(4) 0.5836(4) 0.4399(3) 0.0388(12) Uani 1 1 d . . .
H26A H 0.3652 0.6211 0.4875 0.058 Uiso 1 1 calc R A .
H26B H 0.2711 0.5098 0.4493 0.058 Uiso 1 1 calc R . .
H26C H 0.2582 0.6217 0.4236 0.058 Uiso 1 1 calc R . .
C27 C 0.5068(3) 1.0863(3) 0.2263(2) 0.0236(9) Uani 1 1 d . . .
C28 C 0.4303(4) 1.0390(3) 0.1539(2) 0.0253(10) Uani 1 1 d . A .
H28A H 0.3649 1.0606 0.1298 0.030 Uiso 1 1 calc R . .
C29 C 0.4711(4) 0.9743(4) 0.1163(3) 0.0293(10) Uani 1 1 d . . .
H29A H 0.4404 0.9428 0.0613 0.035 Uiso 1 1 calc R A .
C30 C 0.5757(4) 0.9796(3) 0.1631(3) 0.0264(10) Uani 1 1 d . A .
H30A H 0.6306 0.9522 0.1465 0.032 Uiso 1 1 calc R . .
C31 C 0.5979(3) 1.0487(3) 0.2291(3) 0.0257(10) Uani 1 1 d . A .
H31A H 0.6713 1.0775 0.2675 0.031 Uiso 1 1 calc R . .
C32 C 0.5159(4) 1.1613(4) 0.3938(3) 0.0423(13) Uani 1 1 d . . .
H32A H 0.4640 1.0886 0.3945 0.063 Uiso 1 1 calc R A .
H32B H 0.4974 1.2131 0.4232 0.063 Uiso 1 1 calc R . .
H32C H 0.5919 1.1638 0.4172 0.063 Uiso 1 1 calc R . .
C33 C 0.6285(4) 1.3177(4) 0.2914(4) 0.0579(18) Uani 1 1 d . . .
H33A H 0.6203 1.3440 0.2400 0.087 Uiso 1 1 calc R A .
H33B H 0.6961 1.2986 0.3044 0.087 Uiso 1 1 calc R . .
H33C H 0.6337 1.3742 0.3297 0.087 Uiso 1 1 calc R . .
C34 C 0.3759(4) 1.2289(4) 0.2566(3) 0.0348(11) Uani 1 1 d . . .
H34A H 0.3132 1.1726 0.2688 0.052 Uiso 1 1 calc R A .
H34B H 0.3621 1.2327 0.2005 0.052 Uiso 1 1 calc R . .
H34C H 0.3845 1.2985 0.2819 0.052 Uiso 1 1 calc R . .
C35 C 1.1045(4) 1.1773(4) 0.3286(2) 0.0261(10) Uani 1 1 d . . .
C36 C 1.1400(4) 1.0921(4) 0.3580(3) 0.0301(10) Uani 1 1 d . . .
H36A H 1.1210 1.0205 0.3289 0.036 Uiso 1 1 calc R . .
C37 C 1.2226(4) 1.1308(5) 0.4265(3) 0.0367(12) Uani 1 1 d . . .
H37A H 1.2713 1.0913 0.4540 0.044 Uiso 1 1 calc R . .
C38 C 1.2392(4) 1.2403(4) 0.4415(3) 0.0391(13) Uani 1 1 d . . .
H38A H 1.3018 1.2918 0.4812 0.047 Uiso 1 1 calc R . .
C39 C 1.1667(4) 1.2691(4) 0.3814(3) 0.0337(11) Uani 1 1 d . . .
H39A H 1.1701 1.3446 0.3718 0.040 Uiso 1 1 calc R . .
C40 C 1.0838(5) 1.1641(6) 0.1567(3) 0.0617(19) Uani 1 1 d . . .
H40A H 1.0341 1.1582 0.1056 0.093 Uiso 1 1 calc R . .
H40B H 1.1083 1.1013 0.1614 0.093 Uiso 1 1 calc R . .
H40C H 1.1485 1.2299 0.1631 0.093 Uiso 1 1 calc R . .
C41 C 0.8869(4) 1.0468(5) 0.2189(3) 0.0585(17) Uani 1 1 d . . .
H41A H 0.8383 1.0417 0.1674 0.088 Uiso 1 1 calc R . .
H41B H 0.8464 1.0495 0.2583 0.088 Uiso 1 1 calc R . .
H41C H 0.9109 0.9837 0.2236 0.088 Uiso 1 1 calc R . .
C42 C 0.9664(7) 1.2911(6) 0.2221(4) 0.084(2) Uani 1 1 d . . .
H42A H 0.8855 1.2694 0.2135 0.127 Uiso 1 1 calc R . .
H42B H 0.9893 1.3279 0.1781 0.127 Uiso 1 1 calc R . .
H42C H 1.0018 1.3401 0.2694 0.127 Uiso 1 1 calc R . .
C43 C 0.9826(4) 1.2767(4) 0.5504(3) 0.0285(10) Uani 1 1 d . . .
C44 C 0.8860(4) 1.1841(4) 0.5328(3) 0.0349(12) Uani 1 1 d . . .
H44A H 0.8520 1.1411 0.5723 0.042 Uiso 1 1 calc R . .
C45 C 0.8338(4) 1.1740(5) 0.4538(3) 0.0444(14) Uani 1 1 d . . .
H45A H 0.7576 1.1237 0.4287 0.053 Uiso 1 1 calc R . .
C46 C 0.8961(4) 1.2606(5) 0.4209(3) 0.0442(14) Uani 1 1 d . . .
H46A H 0.8723 1.2817 0.3678 0.053 Uiso 1 1 calc R . .
C47 C 0.9863(4) 1.3239(4) 0.4788(3) 0.0367(12) Uani 1 1 d . . .
H47A H 1.0372 1.3972 0.4732 0.044 Uiso 1 1 calc R . .
C48 C 1.0490(5) 1.4522(4) 0.6826(4) 0.0519(15) Uani 1 1 d . . .
H48A H 0.9732 1.4285 0.6898 0.078 Uiso 1 1 calc R . .
H48B H 1.0567 1.5064 0.6452 0.078 Uiso 1 1 calc R . .
H48C H 1.1018 1.4834 0.7322 0.078 Uiso 1 1 calc R . .
C49 C 1.2242(4) 1.3807(4) 0.6343(3) 0.0416(13) Uani 1 1 d . . .
H49A H 1.2313 1.4321 0.5949 0.062 Uiso 1 1 calc R . .
H49B H 1.2424 1.3187 0.6184 0.062 Uiso 1 1 calc R . .
H49C H 1.2752 1.4157 0.6837 0.062 Uiso 1 1 calc R . .
C50 C 1.0627(4) 1.2283(4) 0.7151(3) 0.0410(13) Uani 1 1 d . . .
H50A H 0.9876 1.2065 0.7236 0.062 Uiso 1 1 calc R . .
H50B H 1.1172 1.2571 0.7643 0.062 Uiso 1 1 calc R . .
H50C H 1.0749 1.1657 0.6937 0.062 Uiso 1 1 calc R . .
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'
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'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nd Nd -0.1943 3.0179 '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
C22 Nd1 C14 99.39(15) . .
C22 Nd1 C13 99.40(17) . .
C14 Nd1 C13 29.64(16) . .
C22 Nd1 C28 118.69(13) . .
C14 Nd1 C28 94.04(14) . .
C13 Nd1 C28 118.51(14) . .
C22 Nd1 C27 89.65(13) . .
C14 Nd1 C27 92.41(14) . .
C13 Nd1 C27 122.02(15) . .
C28 Nd1 C27 29.91(12) . .
C22 Nd1 C21 29.53(15) . .
C14 Nd1 C21 127.83(14) . .
C13 Nd1 C21 119.36(15) . .
C28 Nd1 C21 116.77(13) . .
C27 Nd1 C21 95.50(13) . .
C22 Nd1 C23 29.62(13) . .
C14 Nd1 C23 81.41(14) . .
C13 Nd1 C23 72.18(16) . .
C28 Nd1 C23 143.55(13) . .
C27 Nd1 C23 113.77(13) . .
C21 Nd1 C23 48.44(14) . .
C22 Nd1 C29 119.70(14) . .
C14 Nd1 C29 120.26(14) . .
C13 Nd1 C29 137.64(15) . .
C28 Nd1 C29 28.85(12) . .
C27 Nd1 C29 49.00(13) . .
C21 Nd1 C29 103.00(14) . .
C23 Nd1 C29 149.03(14) . .
C22 Nd1 C30 91.34(14) . .
C14 Nd1 C30 140.06(15) . .
C13 Nd1 C30 166.27(15) . .
C28 Nd1 C30 48.06(13) . .
C27 Nd1 C30 49.00(12) . .
C21 Nd1 C30 73.91(14) . .
C23 Nd1 C30 119.89(13) . .
C29 Nd1 C30 29.45(13) . .
C22 Nd1 C15 125.58(15) . .
C14 Nd1 C15 29.20(13) . .
C13 Nd1 C15 47.93(14) . .
C28 Nd1 C15 70.58(13) . .
C27 Nd1 C15 80.64(13) . .
C21 Nd1 C15 155.11(14) . .
C23 Nd1 C15 110.61(14) . .
C29 Nd1 C15 93.02(13) . .
C30 Nd1 C15 118.55(13) . .
C22 Nd1 C31 73.89(14) . .
C14 Nd1 C31 119.32(14) . .
C13 Nd1 C31 148.12(16) . .
C28 Nd1 C31 48.08(13) . .
C27 Nd1 C31 29.73(12) . .
C21 Nd1 C31 69.28(13) . .
C23 Nd1 C31 103.19(13) . .
C29 Nd1 C31 48.07(13) . .
C30 Nd1 C31 28.97(12) . .
C15 Nd1 C31 110.34(13) . .
C22 Nd1 C12 125.00(18) . .
C14 Nd1 C12 47.88(16) . .
C13 Nd1 C12 28.77(17) . .
C28 Nd1 C12 107.97(16) . .
C27 Nd1 C12 126.93(15) . .
C21 Nd1 C12 135.16(16) . .
C23 Nd1 C12 95.65(17) . .
C29 Nd1 C12 115.26(17) . .
C30 Nd1 C12 143.26(17) . .
C15 Nd1 C12 47.10(14) . .
C31 Nd1 C12 155.41(16) . .
C22 Nd1 C20 48.02(14) . .
C14 Nd1 C20 124.61(14) . .
C13 Nd1 C20 102.70(14) . .
C28 Nd1 C20 138.78(13) . .
C27 Nd1 C20 123.78(13) . .
C21 Nd1 C20 29.03(13) . .
C23 Nd1 C20 47.62(14) . .
C29 Nd1 C20 115.09(13) . .
C30 Nd1 C20 90.83(13) . .
C15 Nd1 C20 150.62(13) . .
C31 Nd1 C20 95.57(13) . .
C12 Nd1 C20 108.85(15) . .
C22 Nd1 C11 146.15(15) . .
C14 Nd1 C11 48.20(13) . .
C13 Nd1 C11 48.22(16) . .
C28 Nd1 C11 78.85(14) . .
C27 Nd1 C11 99.85(14) . .
C21 Nd1 C11 164.22(15) . .
C23 Nd1 C11 120.40(14) . .
C29 Nd1 C11 89.93(15) . .
C30 Nd1 C11 119.38(14) . .
C15 Nd1 C11 28.48(12) . .
C31 Nd1 C11 126.50(14) . .
C12 Nd1 C11 29.13(16) . .
C20 Nd1 C11 136.26(14) . .
C22 Nd1 C19 48.61(13) . .
C14 Nd1 C19 95.62(14) . .
C13 Nd1 C19 74.26(14) . .
C28 Nd1 C19 165.28(12) . .
C27 Nd1 C19 138.24(12) . .
C21 Nd1 C19 48.60(13) . .
C23 Nd1 C19 28.94(12) . .
C29 Nd1 C19 144.08(13) . .
C30 Nd1 C19 119.44(13) . .
C15 Nd1 C19 121.75(13) . .
C31 Nd1 C19 117.24(12) . .
C12 Nd1 C19 86.74(16) . .
C20 Nd1 C19 29.23(12) . .
C11 Nd1 C19 115.84(14) . .
C22 Nd1 Ga1 117.43(11) . .
C14 Nd1 Ga1 128.60(11) . .
C13 Nd1 Ga1 105.40(15) . .
C28 Nd1 Ga1 97.71(9) . .
C27 Nd1 Ga1 120.50(9) . .
C21 Nd1 Ga1 89.86(11) . .
C23 Nd1 Ga1 113.42(10) . .
C29 Nd1 Ga1 72.02(9) . .
C30 Nd1 Ga1 76.68(9) . .
C15 Nd1 Ga1 113.40(9) . .
C31 Nd1 Ga1 105.22(9) . .
C12 Nd1 Ga1 81.01(12) . .
C20 Nd1 Ga1 70.64(10) . .
C11 Nd1 Ga1 85.53(9) . .
C19 Nd1 Ga1 84.87(9) . .
O1 Nd2 C44 92.41(13) 2_776 .
O1 Nd2 C36 99.82(12) 2_776 .
C44 Nd2 C36 166.87(15) . .
O1 Nd2 C39 123.47(13) 2_776 .
C44 Nd2 C39 126.76(15) . .
C36 Nd2 C39 48.79(14) . .
O1 Nd2 C35 128.31(12) 2_776 .
C44 Nd2 C35 139.01(15) . .
C36 Nd2 C35 29.86(13) . .
C39 Nd2 C35 29.87(13) . .
O1 Nd2 C45 117.53(15) 2_776 .
C44 Nd2 C45 29.67(15) . .
C36 Nd2 C45 137.32(15) . .
C39 Nd2 C45 114.45(17) . .
C35 Nd2 C45 113.31(16) . .
O1 Nd2 C43 94.75(12) 2_776 .
C44 Nd2 C43 29.84(13) . .
C36 Nd2 C43 151.16(14) . .
C39 Nd2 C43 102.54(14) . .
C35 Nd2 C43 126.14(14) . .
C45 Nd2 C43 49.56(14) . .
O1 Nd2 C38 93.85(14) 2_776 .
C44 Nd2 C38 135.73(15) . .
C36 Nd2 C38 48.66(14) . .
C39 Nd2 C38 29.69(15) . .
C35 Nd2 C38 49.27(14) . .
C45 Nd2 C38 139.00(17) . .
C43 Nd2 C38 105.91(15) . .
O1 Nd2 C47 123.30(13) 2_776 .
C44 Nd2 C47 48.41(15) . .
C36 Nd2 C47 125.49(14) . .
C39 Nd2 C47 78.37(15) . .
C35 Nd2 C47 97.08(14) . .
C45 Nd2 C47 48.39(15) . .
C43 Nd2 C47 30.06(14) . .
C38 Nd2 C47 93.10(16) . .
O1 Nd2 C37 80.54(13) 2_776 .
C44 Nd2 C37 161.19(15) . .
C36 Nd2 C37 29.45(13) . .
C39 Nd2 C37 48.72(16) . .
C35 Nd2 C37 49.15(14) . .
C45 Nd2 C37 161.90(16) . .
C43 Nd2 C37 132.81(15) . .
C38 Nd2 C37 29.40(15) . .
C47 Nd2 C37 122.28(16) . .
O1 Nd2 C46 140.42(14) 2_776 .
C44 Nd2 C46 48.42(16) . .
C36 Nd2 C46 119.72(15) . .
C39 Nd2 C46 85.55(16) . .
C35 Nd2 C46 90.59(15) . .
C45 Nd2 C46 29.21(16) . .
C43 Nd2 C46 49.39(15) . .
C38 Nd2 C46 110.25(17) . .
C47 Nd2 C46 29.26(15) . .
C37 Nd2 C46 134.15(16) . .
O1 Nd2 Nd2 37.14(7) 2_776 2_776
C44 Nd2 Nd2 91.47(11) . 2_776
C36 Nd2 Nd2 95.36(10) . 2_776
C39 Nd2 Nd2 141.25(11) . 2_776
C35 Nd2 Nd2 122.86(10) . 2_776
C45 Nd2 Nd2 102.12(12) . 2_776
C43 Nd2 Nd2 111.00(10) . 2_776
C38 Nd2 Nd2 118.45(12) . 2_776
C47 Nd2 Nd2 139.14(10) . 2_776
C37 Nd2 Nd2 93.20(12) . 2_776
C46 Nd2 Nd2 131.23(12) . 2_776
C19 Si2 C25 106.8(2) . .
C19 Si2 C24 112.9(2) . .
C25 Si2 C24 107.2(3) . .
C19 Si2 C26 110.8(2) . .
C25 Si2 C26 109.0(2) . .
C24 Si2 C26 109.9(2) . .
C27 Si3 C32 112.7(2) . .
C27 Si3 C34 109.8(2) . .
C32 Si3 C34 109.2(2) . .
C27 Si3 C33 108.2(2) . .
C32 Si3 C33 107.5(3) . .
C34 Si3 C33 109.3(3) . .
C41 Si4 C40 109.0(3) . .
C41 Si4 C42 110.6(3) . .
C40 Si4 C42 107.9(3) . .
C41 Si4 C35 109.7(2) . .
C40 Si4 C35 108.4(2) . .
C42 Si4 C35 111.2(3) . .
C43 Si5 C50 109.5(2) . .
C43 Si5 C49 108.8(2) . .
C50 Si5 C49 109.1(3) . .
C43 Si5 C48 110.1(2) . .
C50 Si5 C48 110.6(3) . .
C49 Si5 C48 108.6(2) . .
C4A Ga1 C3A 36.6(4) . .
C4A Ga1 C5A 36.7(3) . .
C3A Ga1 C5A 60.8(6) . .
C4A Ga1 C1A 60.3(3) . .
C3A Ga1 C1A 60.0(5) . .
C5A Ga1 C1A 35.9(3) . .
C4A Ga1 C2B 45.5(5) . .
C3A Ga1 C2B 13.2(4) . .
C5A Ga1 C2B 61.4(7) . .
C1A Ga1 C2B 51.6(5) . .
C4A Ga1 C1B 57.5(4) . .
C3A Ga1 C1B 46.1(5) . .
C5A Ga1 C1B 45.4(4) . .
C1A Ga1 C1B 17.4(3) . .
C2B Ga1 C1B 35.8(4) . .
C4A Ga1 C2A 60.2(3) . .
C3A Ga1 C2A 35.9(3) . .
C5A Ga1 C2A 60.0(4) . .
C1A Ga1 C2A 35.7(2) . .
C2B Ga1 C2A 23.0(4) . .
C1B Ga1 C2A 18.4(3) . .
C4A Ga1 C5B 45.6(4) . .
C3A Ga1 C5B 61.5(7) . .
C5A Ga1 C5B 13.0(4) . .
C1A Ga1 C5B 23.3(4) . .
C2B Ga1 C5B 58.7(6) . .
C1B Ga1 C5B 35.2(3) . .
C2A Ga1 C5B 51.9(4) . .
C4A Ga1 C3B 16.9(3) . .
C3A Ga1 C3B 23.2(4) . .
C5A Ga1 C3B 51.4(4) . .
C1A Ga1 C3B 66.7(4) . .
C2B Ga1 C3B 35.0(4) . .
C1B Ga1 C3B 58.4(3) . .
C2A Ga1 C3B 54.9(4) . .
C5B Ga1 C3B 57.7(4) . .
C4A Ga1 C4B 17.4(3) . .
C3A Ga1 C4B 51.5(5) . .
C5A Ga1 C4B 22.7(3) . .
C1A Ga1 C4B 54.5(3) . .
C2B Ga1 C4B 57.8(5) . .
C1B Ga1 C4B 57.8(3) . .
C2A Ga1 C4B 66.5(4) . .
C5B Ga1 C4B 34.4(3) . .
C3B Ga1 C4B 34.2(3) . .
C4A Ga1 Nd1 138.0(2) . .
C3A Ga1 Nd1 158.8(4) . .
C5A Ga1 Nd1 130.0(4) . .
C1A Ga1 Nd1 140.6(2) . .
C2B Ga1 Nd1 167.1(5) . .
C1B Ga1 Nd1 155.1(3) . .
C2A Ga1 Nd1 161.4(3) . .
C5B Ga1 Nd1 133.9(4) . .
C3B Ga1 Nd1 143.4(3) . .
C4B Ga1 Nd1 129.6(2) . .
Nd2 O1 H1A 109.5 2_776 .
C5A C1A C2A 108.3(6) . .
C5A C1A C6A 126.0(7) . .
C2A C1A C6A 125.4(8) . .
C5A C1A Ga1 70.4(10) . .
C2A C1A Ga1 72.5(8) . .
C6A C1A Ga1 128.1(8) . .
C3A C2A C1A 107.8(6) . .
C3A C2A C7A 126.9(7) . .
C1A C2A C7A 125.2(7) . .
C3A C2A Ga1 70.0(15) . .
C1A C2A Ga1 71.8(8) . .
C7A C2A Ga1 126.1(9) . .
C2A C3A C4A 108.1(6) . .
C2A C3A C8A 125.4(8) . .
C4A C3A C8A 126.3(8) . .
C2A C3A Ga1 74.1(13) . .
C4A C3A Ga1 70.8(11) . .
C8A C3A Ga1 125.6(19) . .
C3A C4A C5A 108.1(6) . .
C3A C4A C9A 127.1(8) . .
C5A C4A C9A 124.8(8) . .
C3A C4A Ga1 72.7(14) . .
C5A C4A Ga1 72.6(10) . .
C9A C4A Ga1 121.6(8) . .
C1A C5A C4A 107.7(6) . .
C1A C5A C10A 125.9(8) . .
C4A C5A C10A 126.3(8) . .
C1A C5A Ga1 73.7(10) . .
C4A C5A Ga1 70.7(9) . .
C10A C5A Ga1 123.2(13) . .
C5B C1B C2B 107.8(6) . .
C5B C1B C6B 124.3(13) . .
C2B C1B C6B 127.8(13) . .
C5B C1B Ga1 74.3(11) . .
C2B C1B Ga1 71.8(15) . .
C6B C1B Ga1 121.6(8) . .
C3B C2B C1B 108.2(7) . .
C3B C2B C7B 126.5(13) . .
C1B C2B C7B 124.9(13) . .
C3B C2B Ga1 75.5(14) . .
C1B C2B Ga1 72.4(13) . .
C7B C2B Ga1 124(2) . .
C4B C3B C2B 107.8(7) . .
C4B C3B C8B 126.8(11) . .
C2B C3B C8B 125.4(11) . .
C4B C3B Ga1 74.1(8) . .
C2B C3B Ga1 69.4(16) . .
C8B C3B Ga1 123.8(9) . .
C3B C4B C5B 108.4(7) . .
C3B C4B C9B 124.0(11) . .
C5B C4B C9B 127.6(11) . .
C3B C4B Ga1 71.7(8) . .
C5B C4B Ga1 70.7(11) . .
C9B C4B Ga1 126.0(8) . .
C1B C5B C4B 107.9(6) . .
C1B C5B C10B 126.6(12) . .
C4B C5B C10B 125.3(12) . .
C1B C5B Ga1 70.5(9) . .
C4B C5B Ga1 74.9(10) . .
C10B C5B Ga1 124.4(15) . .
C1B C6B H6B1 109.5 . .
C1B C6B H6B2 109.5 . .
H6B1 C6B H6B2 109.5 . .
C1B C6B H6B3 109.5 . .
H6B1 C6B H6B3 109.5 . .
H6B2 C6B H6B3 109.5 . .
C2B C7B H7BB 109.5 . .
C2B C7B H7BA 109.5 . .
H7BB C7B H7BA 109.5 . .
C2B C7B H7BC 109.5 . .
H7BB C7B H7BC 109.5 . .
H7BA C7B H7BC 109.5 . .
C3B C8B H8BB 109.5 . .
C3B C8B H8BA 109.5 . .
H8BB C8B H8BA 109.5 . .
C3B C8B H8BC 109.5 . .
H8BB C8B H8BC 109.5 . .
H8BA C8B H8BC 109.5 . .
C4B C9B H9BC 109.5 . .
C4B C9B H9BA 109.5 . .
H9BC C9B H9BA 109.5 . .
C4B C9B H9BB 109.5 . .
H9BC C9B H9BB 109.5 . .
H9BA C9B H9BB 109.5 . .
C5B C10B H10F 109.5 . .
C5B C10B H10D 109.5 . .
H10F C10B H10D 109.5 . .
C5B C10B H10E 109.5 . .
H10F C10B H10E 109.5 . .
H10D C10B H10E 109.5 . .
C15 C11 C12 105.8(5) . .
C15 C11 Si1B 139.4(5) . .
C12 C11 Si1B 111.2(5) . .
C15 C11 Si1A 119.9(4) . .
C12 C11 Si1A 132.0(4) . .
Si1B C11 Si1A 20.83(19) . .
C15 C11 Nd1 74.2(2) . .
C12 C11 Nd1 74.2(3) . .
Si1B C11 Nd1 131.6(3) . .
Si1A C11 Nd1 129.5(2) . .
C13 C12 C11 109.3(5) . .
C13 C12 Nd1 73.6(3) . .
C11 C12 Nd1 76.7(3) . .
C13 C12 H12A 124.9 . .
C11 C12 H12A 124.9 . .
Nd1 C12 H12A 124.9 . .
C12 C13 C14 107.6(5) . .
C12 C13 Nd1 77.6(3) . .
C14 C13 Nd1 74.5(3) . .
C12 C13 H13A 125.4 . .
C14 C13 H13A 125.4 . .
Nd1 C13 H13A 125.4 . .
C15 C14 C13 107.3(5) . .
C15 C14 Nd1 77.8(2) . .
C13 C14 Nd1 75.9(3) . .
C15 C14 H14A 125.3 . .
C13 C14 H14A 125.3 . .
Nd1 C14 H14A 125.3 . .
C11 C15 C14 109.9(5) . .
C11 C15 Nd1 77.3(3) . .
C14 C15 Nd1 73.0(2) . .
C11 C15 H15A 124.7 . .
C14 C15 H15A 124.7 . .
Nd1 C15 H15A 124.7 . .
C16A Si1A C18A 109.1(5) . .
C16A Si1A C17A 107.6(6) . .
C18A Si1A C17A 107.6(7) . .
C16A Si1A C11 117.6(4) . .
C18A Si1A C11 107.4(4) . .
C17A Si1A C11 107.1(8) . .
C11 Si1B C17B 108.0(8) . .
C11 Si1B C18B 113.6(6) . .
C17B Si1B C18B 108.6(6) . .
C11 Si1B C16B 108.5(4) . .
C17B Si1B C16B 108.7(7) . .
C18B Si1B C16B 109.4(6) . .
Si1B C16B H16D 109.5 . .
Si1B C16B H16E 109.5 . .
H16D C16B H16E 109.5 . .
Si1B C16B H16F 109.5 . .
H16D C16B H16F 109.5 . .
H16E C16B H16F 109.5 . .
Si1B C17B H17D 109.5 . .
Si1B C17B H17E 109.5 . .
H17D C17B H17E 109.5 . .
Si1B C17B H17F 109.5 . .
H17D C17B H17F 109.5 . .
H17E C17B H17F 109.5 . .
Si1B C18B H18D 109.5 . .
Si1B C18B H18E 109.5 . .
H18D C18B H18E 109.5 . .
Si1B C18B H18F 109.5 . .
H18D C18B H18F 109.5 . .
H18E C18B H18F 109.5 . .
C23 C19 C20 105.3(4) . .
C23 C19 Si2 128.2(3) . .
C20 C19 Si2 124.8(3) . .
C23 C19 Nd1 72.4(2) . .
C20 C19 Nd1 74.1(2) . .
Si2 C19 Nd1 129.8(2) . .
C21 C20 C19 109.6(4) . .
C21 C20 Nd1 73.6(3) . .
C19 C20 Nd1 76.7(2) . .
C21 C20 H20A 124.8 . .
C19 C20 H20A 124.8 . .
Nd1 C20 H20A 124.8 . .
C22 C21 C20 107.2(4) . .
C22 C21 Nd1 73.2(3) . .
C20 C21 Nd1 77.4(3) . .
C22 C21 H21A 125.7 . .
C20 C21 H21A 125.7 . .
Nd1 C21 H21A 125.7 . .
C21 C22 C23 108.3(4) . .
C21 C22 Nd1 77.3(3) . .
C23 C22 Nd1 77.3(3) . .
C21 C22 H22A 124.8 . .
C23 C22 H22A 124.8 . .
Nd1 C22 H22A 124.8 . .
C22 C23 C19 109.5(4) . .
C22 C23 Nd1 73.1(3) . .
C19 C23 Nd1 78.7(2) . .
C22 C23 H23A 124.7 . .
C19 C23 H23A 124.7 . .
Nd1 C23 H23A 124.7 . .
Si2 C24 H24A 109.5 . .
Si2 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
Si2 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
Si2 C25 H25A 109.5 . .
Si2 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
Si2 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
Si2 C26 H26A 109.5 . .
Si2 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
Si2 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C31 C27 C28 104.8(4) . .
C31 C27 Si3 125.9(3) . .
C28 C27 Si3 127.9(3) . .
C31 C27 Nd1 75.8(2) . .
C28 C27 Nd1 74.9(2) . .
Si3 C27 Nd1 124.52(19) . .
C29 C28 C27 109.9(4) . .
C29 C28 Nd1 76.1(3) . .
C27 C28 Nd1 75.2(2) . .
C29 C28 H28A 124.5 . .
C27 C28 H28A 124.5 . .
Nd1 C28 H28A 124.5 . .
C28 C29 C30 107.9(4) . .
C28 C29 Nd1 75.1(2) . .
C30 C29 Nd1 75.6(2) . .
C28 C29 H29A 125.4 . .
C30 C29 H29A 125.4 . .
Nd1 C29 H29A 125.4 . .
C31 C30 C29 107.6(4) . .
C31 C30 Nd1 75.6(2) . .
C29 C30 Nd1 75.0(2) . .
C31 C30 H30A 125.5 . .
C29 C30 H30A 125.5 . .
Nd1 C30 H30A 125.5 . .
C30 C31 C27 109.6(4) . .
C30 C31 Nd1 75.5(2) . .
C27 C31 Nd1 74.4(2) . .
C30 C31 H31A 124.8 . .
C27 C31 H31A 124.8 . .
Nd1 C31 H31A 124.8 . .
Si3 C32 H32A 109.5 . .
Si3 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
Si3 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
Si3 C33 H33A 109.5 . .
Si3 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
Si3 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
Si3 C34 H34A 109.5 . .
Si3 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
Si3 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C36 C35 C39 106.3(4) . .
C36 C35 Si4 124.9(3) . .
C39 C35 Si4 128.3(4) . .
C36 C35 Nd2 74.7(2) . .
C39 C35 Nd2 74.9(2) . .
Si4 C35 Nd2 122.1(2) . .
C37 C36 C35 109.2(4) . .
C37 C36 Nd2 76.2(3) . .
C35 C36 Nd2 75.4(3) . .
C37 C36 H36A 124.8 . .
C35 C36 H36A 124.8 . .
Nd2 C36 H36A 124.8 . .
C36 C37 C38 108.0(5) . .
C36 C37 Nd2 74.3(3) . .
C38 C37 Nd2 75.2(3) . .
C36 C37 H37A 125.5 . .
C38 C37 H37A 125.5 . .
Nd2 C37 H37A 125.5 . .
C37 C38 C39 107.8(4) . .
C37 C38 Nd2 75.4(3) . .
C39 C38 Nd2 74.5(3) . .
C37 C38 H38A 125.6 . .
C39 C38 H38A 125.6 . .
Nd2 C38 H38A 125.6 . .
C38 C39 C35 108.7(5) . .
C38 C39 Nd2 75.8(3) . .
C35 C39 Nd2 75.3(2) . .
C38 C39 H39A 125.0 . .
C35 C39 H39A 125.0 . .
Nd2 C39 H39A 125.0 . .
Si4 C40 H40A 109.5 . .
Si4 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
Si4 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
Si4 C41 H41A 109.5 . .
Si4 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
Si4 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
Si4 C42 H42A 109.5 . .
Si4 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
Si4 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C44 C43 C47 104.9(4) . .
C44 C43 Si5 128.7(4) . .
C47 C43 Si5 126.2(4) . .
C44 C43 Nd2 74.4(3) . .
C47 C43 Nd2 75.3(3) . .
Si5 C43 Nd2 119.24(19) . .
C45 C44 C43 109.9(5) . .
C45 C44 Nd2 75.9(3) . .
C43 C44 Nd2 75.8(3) . .
C45 C44 H44A 124.5 . .
C43 C44 H44A 124.5 . .
Nd2 C44 H44A 124.5 . .
C46 C45 C44 107.6(5) . .
C46 C45 Nd2 76.0(3) . .
C44 C45 Nd2 74.5(3) . .
C46 C45 H45A 125.6 . .
C44 C45 H45A 125.6 . .
Nd2 C45 H45A 125.6 . .
C45 C46 C47 108.2(5) . .
C45 C46 Nd2 74.7(3) . .
C47 C46 Nd2 75.1(3) . .
C45 C46 H46A 125.4 . .
C47 C46 H46A 125.4 . .
Nd2 C46 H46A 125.4 . .
C46 C47 C43 109.4(4) . .
C46 C47 Nd2 75.6(3) . .
C43 C47 Nd2 74.6(3) . .
C46 C47 H47A 124.9 . .
C43 C47 H47A 124.9 . .
Nd2 C47 H47A 124.9 . .
Si5 C48 H48A 109.5 . .
Si5 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
Si5 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
Si5 C49 H49A 109.5 . .
Si5 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
Si5 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
Si5 C50 H50A 109.5 . .
Si5 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
Si5 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd1 C22 2.731(5) .
Nd1 C14 2.733(4) .
Nd1 C13 2.751(5) .
Nd1 C28 2.772(4) .
Nd1 C27 2.776(4) .
Nd1 C21 2.782(4) .
Nd1 C23 2.784(4) .
Nd1 C29 2.784(4) .
Nd1 C30 2.792(4) .
Nd1 C15 2.794(4) .
Nd1 C31 2.794(4) .
Nd1 C12 2.801(5) .
Nd1 C20 2.831(4) .
Nd1 C11 2.833(4) .
Nd1 C19 2.864(4) .
Nd1 Ga1 3.1535(6) .
Nd2 O1 2.335(3) 2_776
Nd2 C44 2.734(5) .
Nd2 C36 2.740(4) .
Nd2 C39 2.743(4) .
Nd2 C35 2.748(4) .
Nd2 C45 2.751(5) .
Nd2 C43 2.752(4) .
Nd2 C38 2.760(5) .
Nd2 C47 2.761(5) .
Nd2 C37 2.764(5) .
Nd2 C46 2.767(5) .
Nd2 Nd2 3.7371(5) 2_776
Si2 C19 1.856(4) .
Si2 C25 1.863(5) .
Si2 C24 1.874(5) .
Si2 C26 1.875(5) .
Si3 C27 1.859(4) .
Si3 C32 1.865(5) .
Si3 C34 1.867(5) .
Si3 C33 1.867(5) .
Si4 C41 1.836(5) .
Si4 C40 1.850(5) .
Si4 C42 1.862(6) .
Si4 C35 1.862(5) .
Si5 C43 1.852(5) .
Si5 C50 1.864(5) .
Si5 C49 1.869(5) .
Si5 C48 1.870(5) .
Ga1 C4A 2.244(12) .
Ga1 C3A 2.27(3) .
Ga1 C5A 2.27(2) .
Ga1 C1A 2.311(12) .
Ga1 C2B 2.31(4) .
Ga1 C1B 2.318(12) .
Ga1 C2A 2.320(13) .
Ga1 C5B 2.37(2) .
Ga1 C3B 2.390(13) .
Ga1 C4B 2.422(12) .
O1 Nd2 2.335(3) 2_776
O1 H1A 0.8400 .
C1A C5A 1.413(9) .
C1A C2A 1.421(9) .
C1A C6A 1.507(9) .
C2A C3A 1.415(10) .
C2A C7A 1.509(9) .
C3A C4A 1.415(9) .
C3A C8A 1.514(10) .
C4A C5A 1.421(9) .
C4A C9A 1.503(9) .
C5A C10A 1.504(10) .
C6A H6AA 0.9800 .
C6A H6AB 0.9800 .
C6A H6AC 0.9800 .
C7A H7AA 0.9800 .
C7A H7AB 0.9800 .
C7A H7AC 0.9800 .
C8A H8AA 0.9800 .
C8A H8AB 0.9800 .
C8A H8AC 0.9800 .
C9A H9AA 0.9800 .
C9A H9AB 0.9800 .
C9A H9AC 0.9800 .
C10A H10A 0.9800 .
C10A H10B 0.9800 .
C10A H10C 0.9800 .
C1B C5B 1.417(11) .
C1B C2B 1.422(11) .
C1B C6B 1.509(11) .
C2B C3B 1.417(11) .
C2B C7B 1.516(11) .
C3B C4B 1.415(10) .
C3B C8B 1.522(10) .
C4B C5B 1.418(11) .
C4B C9B 1.517(10) .
C5B C10B 1.508(11) .
C6B H6B1 0.9800 .
C6B H6B2 0.9800 .
C6B H6B3 0.9800 .
C7B H7BB 0.9800 .
C7B H7BA 0.9800 .
C7B H7BC 0.9800 .
C8B H8BB 0.9800 .
C8B H8BA 0.9800 .
C8B H8BC 0.9800 .
C9B H9BC 0.9800 .
C9B H9BA 0.9800 .
C9B H9BB 0.9800 .
C10B H10F 0.9800 .
C10B H10D 0.9800 .
C10B H10E 0.9800 .
C11 C15 1.384(6) .
C11 C12 1.417(8) .
C11 Si1B 1.795(6) .
C11 Si1A 1.961(6) .
C12 C13 1.380(8) .
C12 H12A 1.0000 .
C13 C14 1.402(7) .
C13 H13A 1.0000 .
C14 C15 1.394(6) .
C14 H14A 1.0000 .
C15 H15A 1.0000 .
Si1A C16A 1.854(9) .
Si1A C18A 1.856(9) .
Si1A C17A 1.860(11) .
C16A H16A 0.9800 .
C16A H16B 0.9800 .
C16A H16C 0.9800 .
C17A H17A 0.9800 .
C17A H17B 0.9800 .
C17A H17C 0.9800 .
C18A H18A 0.9800 .
C18A H18B 0.9800 .
C18A H18C 0.9800 .
Si1B C17B 1.859(12) .
Si1B C18B 1.860(10) .
Si1B C16B 1.860(10) .
C16B H16D 0.9800 .
C16B H16E 0.9800 .
C16B H16F 0.9800 .
C17B H17D 0.9800 .
C17B H17E 0.9800 .
C17B H17F 0.9800 .
C18B H18D 0.9800 .
C18B H18E 0.9800 .
C18B H18F 0.9800 .
C19 C23 1.413(6) .
C19 C20 1.437(6) .
C20 C21 1.407(6) .
C20 H20A 1.0000 .
C21 C22 1.406(7) .
C21 H21A 1.0000 .
C22 C23 1.411(6) .
C22 H22A 1.0000 .
C23 H23A 1.0000 .
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 C31 1.429(6) .
C27 C28 1.432(6) .
C28 C29 1.384(6) .
C28 H28A 1.0000 .
C29 C30 1.418(6) .
C29 H29A 1.0000 .
C30 C31 1.397(6) .
C30 H30A 1.0000 .
C31 H31A 1.0000 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
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 C36 1.414(6) .
C35 C39 1.415(6) .
C36 C37 1.399(6) .
C36 H36A 1.0000 .
C37 C38 1.402(7) .
C37 H37A 1.0000 .
C38 C39 1.410(7) .
C38 H38A 1.0000 .
C39 H39A 1.0000 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C43 C44 1.413(6) .
C43 C47 1.430(7) .
C44 C45 1.404(7) .
C44 H44A 1.0000 .
C45 C46 1.392(8) .
C45 H45A 1.0000 .
C46 C47 1.396(7) .
C46 H46A 1.0000 .
C47 H47A 1.0000 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C49 H49A 0.9800 .
C49 H49B 0.9800 .
C49 H49C 0.9800 .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 H50C 0.9800 .
