#------------------------------------------------------------------------------
#$Date: 2017-02-04 15:51:02 +0200 (Sat, 04 Feb 2017) $
#$Revision: 191600 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/14/7041460.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_7041460
loop_
_publ_author_name
'Wang, Chunhong'
'Xiang, Li'
'Leng, Xuebing'
'Chen, Yaofeng'
_publ_section_title
;
 Rare-earth metal hydrides supported by silicon-bridged boratabenzene
 fluorenyl ligands: synthesis, structure and reactivity.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1218
_journal_page_last               1227
_journal_paper_doi               10.1039/c6dt04441g
_journal_volume                  46
_journal_year                    2017
_chemical_formula_sum            'C60 H81 B2 N2 Nd2 Si2'
_chemical_formula_weight         1196.55
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-11-22 deposited with the CCDC.
2016-12-15 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 112.625(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.4810(15)
_cell_length_b                   20.0146(18)
_cell_length_c                   18.5556(17)
_cell_measurement_reflns_used    5922
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      28.99
_cell_measurement_theta_min      2.34
_cell_volume                     5649.7(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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  0.0488
_diffrn_reflns_av_sigmaI/netI    0.0535
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            28026
_diffrn_reflns_theta_full        30.60
_diffrn_reflns_theta_max         30.60
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    1.898
_exptl_absorpt_correction_T_max  0.7385
_exptl_absorpt_correction_T_min  0.6381
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.407
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2452
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.178
_refine_diff_density_min         -1.162
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         8665
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0573
_refine_ls_R_factor_gt           0.0359
_refine_ls_shift/su_max          0.043
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0558P)²+4.5113P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0936
_refine_ls_wR_factor_ref         0.1052
_reflns_number_gt                6509
_reflns_number_total             8665
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt04441g2.cif
_cod_data_source_block           5-Nd
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7041456--7041465.cif.
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7041460
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Nd1 Nd 0.881204(11) 0.099200(9) 0.194446(10) 0.01702(6) Uani 1 1 d .
H1M H 1.0000 0.146(3) 0.2500 0.036(17) Uiso 1 2 d S
Si1 Si 0.96767(6) 0.18452(5) 0.40959(6) 0.0215(2) Uani 1 1 d .
N1 N 0.6888(2) 0.01293(18) 0.0083(2) 0.0339(8) Uani 1 1 d .
B1 B 0.7674(3) 0.0523(2) 0.0313(2) 0.0250(8) Uani 1 1 d .
C1 C 0.8693(2) 0.16131(17) 0.32095(19) 0.0192(6) Uani 1 1 d .
C2 C 0.8128(2) 0.10440(18) 0.3127(2) 0.0219(7) Uani 1 1 d .
C3 C 0.8202(2) 0.04746(19) 0.3607(2) 0.0263(7) Uani 1 1 d .
H3 H 0.8693 0.0431 0.4088 0.032 Uiso 1 1 calc R
C4 C 0.7568(3) -0.0012(2) 0.3379(2) 0.0345(9) Uani 1 1 d .
H4 H 0.7618 -0.0385 0.3710 0.041 Uiso 1 1 calc R
C5 C 0.6836(3) 0.0034(3) 0.2654(3) 0.0423(11) Uani 1 1 d .
H5 H 0.6417 -0.0318 0.2497 0.051 Uiso 1 1 calc R
C6 C 0.6730(3) 0.0578(2) 0.2183(2) 0.0358(9) Uani 1 1 d .
H6 H 0.6234 0.0609 0.1704 0.043 Uiso 1 1 calc R
C7 C 0.7362(2) 0.10954(19) 0.2413(2) 0.0247(7) Uani 1 1 d .
C8 C 0.7400(2) 0.1733(2) 0.2076(2) 0.0246(7) Uani 1 1 d .
C9 C 0.6778(3) 0.2079(2) 0.1438(2) 0.0341(9) Uani 1 1 d .
H9 H 0.6225 0.1881 0.1143 0.041 Uiso 1 1 calc R
C10 C 0.6979(3) 0.2701(2) 0.1248(2) 0.0382(10) Uani 1 1 d .
H10 H 0.6557 0.2944 0.0833 0.046 Uiso 1 1 calc R
C11 C 0.7814(3) 0.2980(2) 0.1671(3) 0.0407(10) Uani 1 1 d .
H11 H 0.7957 0.3400 0.1512 0.049 Uiso 1 1 calc R
C12 C 0.8426(3) 0.26669(19) 0.2301(2) 0.0305(8) Uani 1 1 d .
H12 H 0.8988 0.2863 0.2566 0.037 Uiso 1 1 calc R
C13 C 0.8211(2) 0.20430(18) 0.2555(2) 0.0237(7) Uani 1 1 d .
C14 C 0.9983(3) 0.2744(2) 0.4091(3) 0.0354(9) Uani 1 1 d .
H14A H 1.0174 0.2824 0.3659 0.053 Uiso 1 1 calc R
H14B H 1.0464 0.2853 0.4587 0.053 Uiso 1 1 calc R
H14C H 0.9473 0.3025 0.4025 0.053 Uiso 1 1 calc R
C15 C 0.9384(3) 0.1722(2) 0.4967(2) 0.0359(9) Uani 1 1 d .
H15A H 0.8826 0.1947 0.4880 0.054 Uiso 1 1 calc R
H15B H 0.9848 0.1910 0.5430 0.054 Uiso 1 1 calc R
H15C H 0.9324 0.1243 0.5047 0.054 Uiso 1 1 calc R
C16 C 0.7693(2) 0.12828(18) 0.0369(2) 0.0221(7) Uani 1 1 d .
H16 H 0.7160 0.1516 0.0276 0.027 Uiso 1 1 calc R
C17 C 0.8468(2) 0.16443(18) 0.05521(19) 0.0219(7) Uani 1 1 d .
H17 H 0.8435 0.2118 0.0547 0.026 Uiso 1 1 calc R
C18 C 0.9310(2) 0.13399(17) 0.07477(19) 0.0192(6) Uani 1 1 d .
C19 C 0.9329(2) 0.06296(18) 0.07143(19) 0.0213(7) Uani 1 1 d .
H19 H 0.9879 0.0421 0.0811 0.026 Uiso 1 1 calc R
C20 C 0.8599(2) 0.02222(18) 0.0550(2) 0.0231(7) Uani 1 1 d .
H20 H 0.8671 -0.0249 0.0584 0.028 Uiso 1 1 calc R
C21 C 0.6019(3) 0.0433(2) -0.0179(3) 0.0427(11) Uani 1 1 d .
H21A H 0.6074 0.0888 0.0044 0.051 Uiso 1 1 calc R
H21B H 0.5646 0.0167 0.0024 0.051 Uiso 1 1 calc R
C22 C 0.5570(3) 0.0477(3) -0.1061(3) 0.0586(15) Uani 1 1 d .
H22A H 0.5911 0.0771 -0.1262 0.088 Uiso 1 1 calc R
H22B H 0.4977 0.0659 -0.1203 0.088 Uiso 1 1 calc R
H22C H 0.5534 0.0030 -0.1288 0.088 Uiso 1 1 calc R
C23 C 0.6883(3) -0.0593(2) -0.0008(4) 0.0515(13) Uani 1 1 d U
H23A H 0.7484 -0.0742 0.0074 0.062 Uiso 1 1 calc R
H23B H 0.6495 -0.0708 -0.0551 0.062 Uiso 1 1 calc R
C24 C 0.6585(7) -0.0960(3) 0.0530(7) 0.111(3) Uani 1 1 d U
H24A H 0.7004 -0.0892 0.1067 0.166 Uiso 1 1 calc R
H24B H 0.6546 -0.1437 0.0403 0.166 Uiso 1 1 calc R
H24C H 0.6005 -0.0796 0.0478 0.166 Uiso 1 1 calc R
C25 C 1.0000 0.0047(2) 0.2500 0.0256(10) Uani 1 2 d S
C26 C 0.9274(3) -0.0331(3) 0.2530(3) 0.0550(15) Uani 1 1 d .
C27 C 0.9252(4) -0.0928(3) 0.2932(5) 0.081(2) Uani 1 1 d D
H27A H 0.9148 -0.0844 0.3415 0.097 Uiso 1 1 calc R
H27B H 0.9787 -0.1202 0.3050 0.097 Uiso 1 1 calc R
C28 C 0.8394(7) -0.1250(5) 0.2237(7) 0.064(3) Uani 0.50 1 d PD
H28A H 0.7890 -0.0950 0.2123 0.096 Uiso 0.50 1 calc PR
H28B H 0.8257 -0.1684 0.2406 0.096 Uiso 0.50 1 calc PR
H28C H 0.8520 -0.1308 0.1767 0.096 Uiso 0.50 1 calc PR
C29 C 0.4520(3) 0.2068(7) 0.2282(5) 0.144(5) Uani 1 1 d D
H29A H 0.4288 0.1745 0.2559 0.173 Uiso 1 1 calc R
H29B H 0.4321 0.2514 0.2377 0.173 Uiso 1 1 calc R
C30 C 0.4065(6) 0.1947(9) 0.1515(6) 0.242(10) Uani 1 1 d D
H30A H 0.4057 0.1457 0.1439 0.290 Uiso 1 1 calc R
H30B H 0.4404 0.2142 0.1227 0.290 Uiso 1 1 calc R
C31 C 0.3157(5) 0.2186(4) 0.1139(5) 0.099(3) Uani 1 1 d D
H31A H 0.2763 0.1881 0.1262 0.148 Uiso 1 1 calc R
H31B H 0.2991 0.2202 0.0573 0.148 Uiso 1 1 calc R
H31C H 0.3110 0.2634 0.1332 0.148 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
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
C25 Nd1 C1 106.22(7) . .
C25 Nd1 C18 95.19(7) . .
C1 Nd1 C18 136.48(10) . .
C25 Nd1 C13 136.12(8) . .
C1 Nd1 C13 30.73(10) . .
C18 Nd1 C13 114.06(10) . .
C25 Nd1 C17 124.23(8) . .
C1 Nd1 C17 122.30(10) . .
C18 Nd1 C17 30.17(10) . .
C13 Nd1 C17 92.69(11) . .
C25 Nd1 C19 73.82(7) . .
C1 Nd1 C19 163.14(10) . .
C18 Nd1 C19 29.63(10) . .
C13 Nd1 C19 143.04(10) . .
C17 Nd1 C19 51.66(10) . .
C25 Nd1 C2 100.43(7) . .
C1 Nd1 C2 30.00(10) . .
C18 Nd1 C2 162.45(10) . .
C13 Nd1 C2 48.53(11) . .
C17 Nd1 C2 135.33(10) . .
C19 Nd1 C2 166.35(10) . .
C25 Nd1 C7 121.20(8) . .
C1 Nd1 C7 50.04(10) . .
C18 Nd1 C7 141.09(10) . .
C13 Nd1 C7 48.75(11) . .
C17 Nd1 C7 110.99(10) . .
C19 Nd1 C7 144.69(10) . .
C2 Nd1 C7 29.38(10) . .
C25 Nd1 C8 148.23(8) . .
C1 Nd1 C8 50.02(10) . .
C18 Nd1 C8 116.57(10) . .
C13 Nd1 C8 29.56(10) . .
C17 Nd1 C8 87.34(10) . .
C19 Nd1 C8 135.60(10) . .
C2 Nd1 C8 48.05(10) . .
C7 Nd1 C8 29.13(11) . .
C25 Nd1 C26 29.98(11) . .
C1 Nd1 C26 101.09(15) . .
C18 Nd1 C26 115.18(14) . .
C13 Nd1 C26 129.77(15) . .
C17 Nd1 C26 136.58(15) . .
C19 Nd1 C26 87.13(14) . .
C2 Nd1 C26 82.33(14) . .
C7 Nd1 C26 94.81(13) . .
C8 Nd1 C26 123.92(13) . .
C25 Nd1 C16 129.68(8) . .
C1 Nd1 C16 123.81(10) . .
C18 Nd1 C16 52.71(10) . .
C13 Nd1 C16 94.17(10) . .
C17 Nd1 C16 28.68(10) . .
C19 Nd1 C16 60.05(10) . .
C2 Nd1 C16 119.61(10) . .
C7 Nd1 C16 90.60(10) . .
C8 Nd1 C16 75.78(10) . .
C26 Nd1 C16 123.53(15) . .
C25 Nd1 C20 77.60(8) . .
C1 Nd1 C20 168.67(10) . .
C18 Nd1 C20 52.08(10) . .
C13 Nd1 C20 146.21(10) . .
C17 Nd1 C20 60.41(10) . .
C19 Nd1 C20 27.93(10) . .
C2 Nd1 C20 139.51(10) . .
C7 Nd1 C20 118.75(10) . .
C8 Nd1 C20 121.88(10) . .
C26 Nd1 C20 76.75(15) . .
C16 Nd1 C20 52.29(10) . .
C25 Nd1 H1M 73.3(15) . .
C1 Nd1 H1M 74.3(6) . .
C18 Nd1 H1M 76.4(3) . .
C13 Nd1 H1M 82.3(12) . .
C17 Nd1 H1M 93.8(8) . .
C19 Nd1 H1M 89.9(4) . .
C2 Nd1 H1M 100.4(2) . .
C7 Nd1 H1M 124.2(7) . .
C8 Nd1 H1M 111.7(12) . .
C26 Nd1 H1M 99.9(14) . .
C16 Nd1 H1M 122.4(9) . .
C20 Nd1 H1M 117.0(6) . .
C14 Si1 C1 112.29(17) . .
C14 Si1 C15 106.9(2) . .
C1 Si1 C15 107.60(17) . .
C14 Si1 C18 107.05(17) . 2_755
C1 Si1 C18 114.89(15) . 2_755
C15 Si1 C18 107.73(17) . 2_755
B1 N1 C23 123.0(4) . .
B1 N1 C21 122.0(4) . .
C23 N1 C21 114.5(3) . .
N1 B1 C16 124.1(3) . .
N1 B1 C20 123.6(4) . .
C16 B1 C20 112.3(3) . .
N1 B1 Nd1 127.4(3) . .
C16 B1 Nd1 68.55(18) . .
C20 B1 Nd1 70.82(19) . .
C2 C1 C13 104.9(3) . .
C2 C1 Si1 126.6(3) . .
C13 C1 Si1 126.8(3) . .
C2 C1 Nd1 78.8(2) . .
C13 C1 Nd1 75.35(19) . .
Si1 C1 Nd1 123.01(15) . .
C3 C2 C7 117.8(3) . .
C3 C2 C1 132.1(3) . .
C7 C2 C1 110.1(3) . .
C3 C2 Nd1 119.5(2) . .
C7 C2 Nd1 76.0(2) . .
C1 C2 Nd1 71.17(19) . .
C4 C3 C2 120.3(3) . .
C4 C3 H3 119.9 . .
C2 C3 H3 119.9 . .
C3 C4 C5 121.0(4) . .
C3 C4 H4 119.5 . .
C5 C4 H4 119.5 . .
C6 C5 C4 120.7(4) . .
C6 C5 H5 119.7 . .
C4 C5 H5 119.7 . .
C5 C6 C7 119.5(4) . .
C5 C6 H6 120.2 . .
C7 C6 H6 120.2 . .
C6 C7 C8 132.2(3) . .
C6 C7 C2 120.6(4) . .
C8 C7 C2 107.2(3) . .
C6 C7 Nd1 117.6(3) . .
C8 C7 Nd1 75.4(2) . .
C2 C7 Nd1 74.58(19) . .
C9 C8 C13 120.7(4) . .
C9 C8 C7 131.4(4) . .
C13 C8 C7 107.7(3) . .
C9 C8 Nd1 122.4(2) . .
C13 C8 Nd1 71.34(19) . .
C7 C8 Nd1 75.4(2) . .
C10 C9 C8 119.4(4) . .
C10 C9 H9 120.3 . .
C8 C9 H9 120.3 . .
C9 C10 C11 119.9(4) . .
C9 C10 H10 120.1 . .
C11 C10 H10 120.1 . .
C12 C11 C10 122.3(4) . .
C12 C11 H11 118.9 . .
C10 C11 H11 118.9 . .
C11 C12 C13 119.3(4) . .
C11 C12 H12 120.4 . .
C13 C12 H12 120.4 . .
C12 C13 C8 117.8(3) . .
C12 C13 C1 132.1(3) . .
C8 C13 C1 110.0(3) . .
C12 C13 Nd1 111.1(2) . .
C8 C13 Nd1 79.1(2) . .
C1 C13 Nd1 73.93(19) . .
Si1 C14 H14A 109.5 . .
Si1 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
Si1 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
Si1 C15 H15A 109.5 . .
Si1 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
Si1 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C17 C16 B1 121.9(3) . .
C17 C16 Nd1 71.64(19) . .
B1 C16 Nd1 81.6(2) . .
C17 C16 H16 119.1 . .
B1 C16 H16 119.1 . .
Nd1 C16 H16 118.3 . .
C16 C17 C18 123.4(3) . .
C16 C17 Nd1 79.7(2) . .
C18 C17 Nd1 74.34(19) . .
C16 C17 H17 118.3 . .
C18 C17 H17 118.3 . .
Nd1 C17 H17 118.3 . .
C19 C18 C17 116.8(3) . .
C19 C18 Si1 120.8(2) . 2_755
C17 C18 Si1 121.9(3) . 2_755
C19 C18 Nd1 78.45(19) . .
C17 C18 Nd1 75.48(19) . .
Si1 C18 Nd1 122.56(15) 2_755 .
C20 C19 C18 124.4(3) . .
C20 C19 Nd1 79.8(2) . .
C18 C19 Nd1 71.91(19) . .
C20 C19 H19 117.8 . .
C18 C19 H19 117.8 . .
Nd1 C19 H19 121.5 . .
C19 C20 B1 120.9(3) . .
C19 C20 Nd1 72.28(19) . .
B1 C20 Nd1 79.3(2) . .
C19 C20 H20 119.5 . .
B1 C20 H20 119.5 . .
Nd1 C20 H20 119.8 . .
N1 C21 C22 113.1(4) . .
N1 C21 H21A 109.0 . .
C22 C21 H21A 109.0 . .
N1 C21 H21B 109.0 . .
C22 C21 H21B 109.0 . .
H21A C21 H21B 107.8 . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
N1 C23 C24 114.0(5) . .
N1 C23 H23A 108.7 . .
C24 C23 H23A 108.7 . .
N1 C23 H23B 108.7 . .
C24 C23 H23B 108.7 . .
H23A C23 H23B 107.6 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C26 C25 C26 116.3(6) . 2_755
C26 C25 Nd1 150.5(3) . 2_755
C26 C25 Nd1 83.6(2) 2_755 2_755
C26 C25 Nd1 83.6(2) . .
C26 C25 Nd1 150.5(3) 2_755 .
Nd1 C25 Nd1 88.07(15) 2_755 .
C27 C26 C25 131.1(5) . .
C27 C26 Nd1 157.8(4) . .
C25 C26 Nd1 66.4(2) . .
C26 C27 C28 96.2(6) . .
C26 C27 H27A 112.5 . .
C28 C27 H27A 112.5 . .
C26 C27 H27B 112.5 . .
C28 C27 H27B 112.5 . .
H27A C27 H27B 110.0 . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C30 C29 C29 128.6(10) . 2_655
C30 C29 H29A 105.1 . .
C29 C29 H29A 105.1 2_655 .
C30 C29 H29B 105.2 . .
C29 C29 H29B 105.1 2_655 .
H29A C29 H29B 105.9 . .
C29 C30 C31 119.7(10) . .
C29 C30 H30A 107.4 . .
C31 C30 H30A 107.4 . .
C29 C30 H30B 107.4 . .
C31 C30 H30B 107.4 . .
H30A C30 H30B 106.9 . .
C30 C31 H31A 109.4 . .
C30 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C30 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd1 C25 2.631(4) .
Nd1 C1 2.729(3) .
Nd1 C18 2.737(3) .
Nd1 C13 2.748(3) .
Nd1 C17 2.752(3) .
Nd1 C19 2.821(3) .
Nd1 C2 2.829(3) .
Nd1 C7 2.848(4) .
Nd1 C8 2.848(3) .
Nd1 C26 2.853(5) .
Nd1 C16 2.853(3) .
Nd1 C20 2.915(3) .
Nd1 H1M 2.06(3) .
Si1 C14 1.869(4) .
Si1 C1 1.870(3) .
Si1 C15 1.872(4) .
Si1 C18 1.877(3) 2_755
N1 B1 1.435(5) .
N1 C23 1.455(6) .
N1 C21 1.455(5) .
B1 C16 1.524(6) .
B1 C20 1.537(5) .
C1 C2 1.442(5) .
C1 C13 1.451(5) .
C2 C3 1.422(5) .
C2 C7 1.440(5) .
C3 C4 1.370(5) .
C3 H3 0.9500 .
C4 C5 1.423(6) .
C4 H4 0.9500 .
C5 C6 1.365(6) .
C5 H5 0.9500 .
C6 C7 1.413(5) .
C6 H6 0.9500 .
C7 C8 1.432(5) .
C8 C9 1.414(5) .
C8 C13 1.431(5) .
C9 C10 1.369(6) .
C9 H9 0.9500 .
C10 C11 1.412(7) .
C10 H10 0.9500 .
C11 C12 1.367(6) .
C11 H11 0.9500 .
C12 C13 1.427(5) .
C12 H12 0.9500 .
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 C17 1.392(5) .
C16 H16 0.9500 .
C17 C18 1.429(5) .
C17 H17 0.9500 .
C18 C19 1.424(5) .
C18 Si1 1.877(3) 2_755
C19 C20 1.387(5) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 C22 1.518(7) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C24 1.467(10) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C26 1.434(5) .
C25 C26 1.434(5) 2_755
C25 Nd1 2.631(4) 2_755
C26 C27 1.416(6) .
C27 C28 1.635(9) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 C30 1.350(8) .
C29 C29 1.473(9) 2_655
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 C31 1.467(9) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C23 N1 B1 C16 176.5(4) . .
C21 N1 B1 C16 5.0(6) . .
C23 N1 B1 C20 -5.0(6) . .
C21 N1 B1 C20 -176.6(4) . .
C23 N1 B1 Nd1 -95.7(5) . .
C21 N1 B1 Nd1 92.8(5) . .
C25 Nd1 B1 N1 91.6(3) . .
C1 Nd1 B1 N1 -49.6(4) . .
C18 Nd1 B1 N1 179.8(4) . .
C13 Nd1 B1 N1 -76.2(4) . .
C17 Nd1 B1 N1 -146.0(4) . .
C19 Nd1 B1 N1 146.5(4) . .
C2 Nd1 B1 N1 -20.1(4) . .
C7 Nd1 B1 N1 -31.9(4) . .
C8 Nd1 B1 N1 -61.0(4) . .
C26 Nd1 B1 N1 63.2(4) . .
C16 Nd1 B1 N1 -117.2(4) . .
C20 Nd1 B1 N1 118.1(4) . .
C25 Nd1 B1 C16 -151.19(19) . .
C1 Nd1 B1 C16 67.6(3) . .
C18 Nd1 B1 C16 -63.0(2) . .
C13 Nd1 B1 C16 41.1(2) . .
C17 Nd1 B1 C16 -28.81(19) . .
C19 Nd1 B1 C16 -96.3(2) . .
C2 Nd1 B1 C16 97.1(2) . .
C7 Nd1 B1 C16 85.4(2) . .
C8 Nd1 B1 C16 56.2(2) . .
C26 Nd1 B1 C16 -179.6(2) . .
C20 Nd1 B1 C16 -124.6(3) . .
C25 Nd1 B1 C20 -26.6(2) . .
C1 Nd1 B1 C20 -167.74(19) . .
C18 Nd1 B1 C20 61.7(2) . .
C13 Nd1 B1 C20 165.71(19) . .
C17 Nd1 B1 C20 95.8(2) . .
C19 Nd1 B1 C20 28.39(19) . .
C2 Nd1 B1 C20 -138.2(2) . .
C7 Nd1 B1 C20 -150.0(2) . .
C8 Nd1 B1 C20 -179.1(2) . .
C26 Nd1 B1 C20 -54.9(2) . .
C16 Nd1 B1 C20 124.6(3) . .
C14 Si1 C1 C2 -160.0(3) . .
C15 Si1 C1 C2 -42.6(4) . .
C18 Si1 C1 C2 77.3(3) 2_755 .
C14 Si1 C1 C13 2.5(4) . .
C15 Si1 C1 C13 119.9(3) . .
C18 Si1 C1 C13 -120.1(3) 2_755 .
C14 Si1 C1 Nd1 98.8(2) . .
C15 Si1 C1 Nd1 -143.8(2) . .
C18 Si1 C1 Nd1 -23.9(2) 2_755 .
C25 Nd1 C1 C2 -82.7(2) . .
C18 Nd1 C1 C2 160.96(18) . .
C13 Nd1 C1 C2 108.8(3) . .
C17 Nd1 C1 C2 126.00(19) . .
C19 Nd1 C1 C2 -170.4(3) . .
C7 Nd1 C1 C2 34.67(19) . .
C8 Nd1 C1 C2 73.0(2) . .
C26 Nd1 C1 C2 -52.3(2) . .
C16 Nd1 C1 C2 91.7(2) . .
C20 Nd1 C1 C2 25.5(6) . .
C25 Nd1 C1 C13 168.5(2) . .
C18 Nd1 C1 C13 52.2(3) . .
C17 Nd1 C1 C13 17.2(2) . .
C19 Nd1 C1 C13 80.8(4) . .
C2 Nd1 C1 C13 -108.8(3) . .
C7 Nd1 C1 C13 -74.1(2) . .
C8 Nd1 C1 C13 -35.8(2) . .
C26 Nd1 C1 C13 -161.1(2) . .
C16 Nd1 C1 C13 -17.1(2) . .
C20 Nd1 C1 C13 -83.3(5) . .
C25 Nd1 C1 Si1 43.8(2) . .
C18 Nd1 C1 Si1 -72.5(2) . .
C13 Nd1 C1 Si1 -124.7(3) . .
C17 Nd1 C1 Si1 -107.44(18) . .
C19 Nd1 C1 Si1 -43.8(4) . .
C2 Nd1 C1 Si1 126.6(3) . .
C7 Nd1 C1 Si1 161.2(2) . .
C8 Nd1 C1 Si1 -160.5(2) . .
C26 Nd1 C1 Si1 74.3(2) . .
C16 Nd1 C1 Si1 -141.78(16) . .
C20 Nd1 C1 Si1 152.1(4) . .
C13 C1 C2 C3 -175.5(4) . .
Si1 C1 C2 C3 -9.9(6) . .
Nd1 C1 C2 C3 113.1(4) . .
C13 C1 C2 C7 4.7(4) . .
Si1 C1 C2 C7 170.3(3) . .
Nd1 C1 C2 C7 -66.7(3) . .
C13 C1 C2 Nd1 71.4(2) . .
Si1 C1 C2 Nd1 -123.0(3) . .
C25 Nd1 C2 C3 -24.0(3) . .
C1 Nd1 C2 C3 -128.4(4) . .
C18 Nd1 C2 C3 -176.5(3) . .
C13 Nd1 C2 C3 -168.6(3) . .
C17 Nd1 C2 C3 155.0(2) . .
C19 Nd1 C2 C3 39.8(6) . .
C7 Nd1 C2 C3 114.3(4) . .
C8 Nd1 C2 C3 151.5(3) . .
C26 Nd1 C2 C3 0.0(3) . .
C16 Nd1 C2 C3 124.4(3) . .
C20 Nd1 C2 C3 59.1(3) . .
C25 Nd1 C2 C7 -138.3(2) . .
C1 Nd1 C2 C7 117.3(3) . .
C18 Nd1 C2 C7 69.1(4) . .
C13 Nd1 C2 C7 77.1(2) . .
C17 Nd1 C2 C7 40.7(3) . .
C19 Nd1 C2 C7 -74.6(5) . .
C8 Nd1 C2 C7 37.1(2) . .
C26 Nd1 C2 C7 -114.3(2) . .
C16 Nd1 C2 C7 10.1(3) . .
C20 Nd1 C2 C7 -55.2(3) . .
C25 Nd1 C2 C1 104.4(2) . .
C18 Nd1 C2 C1 -48.2(4) . .
C13 Nd1 C2 C1 -40.21(19) . .
C17 Nd1 C2 C1 -76.6(2) . .
C19 Nd1 C2 C1 168.1(4) . .
C7 Nd1 C2 C1 -117.3(3) . .
C8 Nd1 C2 C1 -80.2(2) . .
C26 Nd1 C2 C1 128.4(2) . .
C16 Nd1 C2 C1 -107.2(2) . .
C20 Nd1 C2 C1 -172.51(18) . .
C7 C2 C3 C4 1.4(5) . .
C1 C2 C3 C4 -178.4(4) . .
Nd1 C2 C3 C4 -87.7(4) . .
C2 C3 C4 C5 1.4(6) . .
C3 C4 C5 C6 -2.7(7) . .
C4 C5 C6 C7 1.1(7) . .
C5 C6 C7 C8 -175.3(4) . .
C5 C6 C7 C2 1.8(6) . .
C5 C6 C7 Nd1 89.5(4) . .
C3 C2 C7 C6 -3.0(5) . .
C1 C2 C7 C6 176.8(3) . .
Nd1 C2 C7 C6 113.2(4) . .
C3 C2 C7 C8 174.7(3) . .
C1 C2 C7 C8 -5.4(4) . .
Nd1 C2 C7 C8 -69.0(2) . .
C3 C2 C7 Nd1 -116.3(3) . .
C1 C2 C7 Nd1 63.6(2) . .
C25 Nd1 C7 C6 -67.0(3) . .
C1 Nd1 C7 C6 -152.3(3) . .
C18 Nd1 C7 C6 89.8(3) . .
C13 Nd1 C7 C6 166.9(3) . .
C17 Nd1 C7 C6 92.5(3) . .
C19 Nd1 C7 C6 40.0(4) . .
C2 Nd1 C7 C6 -116.9(4) . .
C8 Nd1 C7 C6 130.3(4) . .
C26 Nd1 C7 C6 -51.9(3) . .
C16 Nd1 C7 C6 71.9(3) . .
C20 Nd1 C7 C6 25.7(3) . .
C25 Nd1 C7 C8 162.71(19) . .
C1 Nd1 C7 C8 77.4(2) . .
C18 Nd1 C7 C8 -40.5(3) . .
C13 Nd1 C7 C8 36.57(19) . .
C17 Nd1 C7 C8 -37.8(2) . .
C19 Nd1 C7 C8 -90.4(3) . .
C2 Nd1 C7 C8 112.8(3) . .
C26 Nd1 C7 C8 177.8(2) . .
C16 Nd1 C7 C8 -58.4(2) . .
C20 Nd1 C7 C8 -104.7(2) . .
C25 Nd1 C7 C2 49.9(2) . .
C1 Nd1 C7 C2 -35.4(2) . .
C18 Nd1 C7 C2 -153.3(2) . .
C13 Nd1 C7 C2 -76.2(2) . .
C17 Nd1 C7 C2 -150.6(2) . .
C19 Nd1 C7 C2 156.8(2) . .
C8 Nd1 C7 C2 -112.8(3) . .
C26 Nd1 C7 C2 65.0(2) . .
C16 Nd1 C7 C2 -171.3(2) . .
C20 Nd1 C7 C2 142.5(2) . .
C6 C7 C8 C9 6.5(7) . .
C2 C7 C8 C9 -170.9(4) . .
Nd1 C7 C8 C9 120.6(4) . .
C6 C7 C8 C13 -178.7(4) . .
C2 C7 C8 C13 3.9(4) . .
Nd1 C7 C8 C13 -64.6(2) . .
C6 C7 C8 Nd1 -114.2(4) . .
C2 C7 C8 Nd1 68.4(2) . .
C25 Nd1 C8 C9 -159.0(3) . .
C1 Nd1 C8 C9 152.4(4) . .
C18 Nd1 C8 C9 22.7(4) . .
C13 Nd1 C8 C9 115.1(4) . .
C17 Nd1 C8 C9 14.9(3) . .
C19 Nd1 C8 C9 -5.9(4) . .
C2 Nd1 C8 C9 -167.6(4) . .
C7 Nd1 C8 C9 -130.2(4) . .
C26 Nd1 C8 C9 -132.8(3) . .
C16 Nd1 C8 C9 -11.7(3) . .
C20 Nd1 C8 C9 -37.4(4) . .
C25 Nd1 C8 C13 85.9(3) . .
C1 Nd1 C8 C13 37.3(2) . .
C18 Nd1 C8 C13 -92.4(2) . .
C17 Nd1 C8 C13 -100.2(2) . .
C19 Nd1 C8 C13 -121.0(2) . .
C2 Nd1 C8 C13 77.3(2) . .
C7 Nd1 C8 C13 114.7(3) . .
C26 Nd1 C8 C13 112.1(2) . .
C16 Nd1 C8 C13 -126.8(2) . .
C20 Nd1 C8 C13 -152.53(19) . .
C25 Nd1 C8 C7 -28.9(3) . .
C1 Nd1 C8 C7 -77.5(2) . .
C18 Nd1 C8 C7 152.85(19) . .
C13 Nd1 C8 C7 -114.7(3) . .
C17 Nd1 C8 C7 145.1(2) . .
C19 Nd1 C8 C7 124.3(2) . .
C2 Nd1 C8 C7 -37.45(19) . .
C26 Nd1 C8 C7 -2.6(3) . .
C16 Nd1 C8 C7 118.5(2) . .
C20 Nd1 C8 C7 92.7(2) . .
C13 C8 C9 C10 4.1(6) . .
C7 C8 C9 C10 178.3(4) . .
Nd1 C8 C9 C10 -82.3(4) . .
C8 C9 C10 C11 2.4(6) . .
C9 C10 C11 C12 -3.8(7) . .
C10 C11 C12 C13 -1.4(6) . .
C11 C12 C13 C8 7.6(5) . .
C11 C12 C13 C1 -176.8(4) . .
C11 C12 C13 Nd1 96.2(4) . .
C9 C8 C13 C12 -9.1(5) . .
C7 C8 C13 C12 175.5(3) . .
Nd1 C8 C13 C12 108.2(3) . .
C9 C8 C13 C1 174.5(3) . .
C7 C8 C13 C1 -1.0(4) . .
Nd1 C8 C13 C1 -68.3(2) . .
C9 C8 C13 Nd1 -117.2(3) . .
C7 C8 C13 Nd1 67.3(2) . .
C2 C1 C13 C12 -178.1(4) . .
Si1 C1 C13 C12 16.4(6) . .
Nd1 C1 C13 C12 -104.1(4) . .
C2 C1 C13 C8 -2.3(4) . .
Si1 C1 C13 C8 -167.8(3) . .
Nd1 C1 C13 C8 71.7(3) . .
C2 C1 C13 Nd1 -73.9(2) . .
Si1 C1 C13 Nd1 120.5(3) . .
C25 Nd1 C13 C12 113.5(3) . .
C1 Nd1 C13 C12 129.5(4) . .
C18 Nd1 C13 C12 -13.9(3) . .
C17 Nd1 C13 C12 -36.0(3) . .
C19 Nd1 C13 C12 -22.0(3) . .
C2 Nd1 C13 C12 168.7(3) . .
C7 Nd1 C13 C12 -151.8(3) . .
C8 Nd1 C13 C12 -115.8(3) . .
C26 Nd1 C13 C12 154.0(3) . .
C16 Nd1 C13 C12 -64.6(3) . .
C20 Nd1 C13 C12 -71.0(3) . .
C25 Nd1 C13 C8 -130.7(2) . .
C1 Nd1 C13 C8 -114.7(3) . .
C18 Nd1 C13 C8 101.9(2) . .
C17 Nd1 C13 C8 79.8(2) . .
C19 Nd1 C13 C8 93.7(3) . .
C2 Nd1 C13 C8 -75.5(2) . .
C7 Nd1 C13 C8 -36.0(2) . .
C26 Nd1 C13 C8 -90.2(2) . .
C16 Nd1 C13 C8 51.1(2) . .
C20 Nd1 C13 C8 44.8(3) . .
C25 Nd1 C13 C1 -16.0(3) . .
C18 Nd1 C13 C1 -143.44(19) . .
C17 Nd1 C13 C1 -165.5(2) . .
C19 Nd1 C13 C1 -151.56(19) . .
C2 Nd1 C13 C1 39.18(19) . .
C7 Nd1 C13 C1 78.7(2) . .
C8 Nd1 C13 C1 114.7(3) . .
C26 Nd1 C13 C1 24.4(3) . .
C16 Nd1 C13 C1 165.8(2) . .
C20 Nd1 C13 C1 159.46(19) . .
N1 B1 C16 C17 -176.3(4) . .
C20 B1 C16 C17 5.1(5) . .
Nd1 B1 C16 C17 62.2(3) . .
N1 B1 C16 Nd1 121.5(4) . .
C20 B1 C16 Nd1 -57.1(3) . .
C25 Nd1 C16 C17 -90.4(2) . .
C1 Nd1 C16 C17 96.6(2) . .
C18 Nd1 C16 C17 -29.3(2) . .
C13 Nd1 C16 C17 88.0(2) . .
C19 Nd1 C16 C17 -64.0(2) . .
C2 Nd1 C16 C17 131.7(2) . .
C7 Nd1 C16 C17 136.7(2) . .
C8 Nd1 C16 C17 111.3(2) . .
C26 Nd1 C16 C17 -127.2(2) . .
C20 Nd1 C16 C17 -96.5(2) . .
C25 Nd1 C16 B1 37.3(2) . .
C1 Nd1 C16 B1 -135.7(2) . .
C18 Nd1 C16 B1 98.4(2) . .
C13 Nd1 C16 B1 -144.3(2) . .
C17 Nd1 C16 B1 127.7(3) . .
C19 Nd1 C16 B1 63.7(2) . .
C2 Nd1 C16 B1 -100.6(2) . .
C7 Nd1 C16 B1 -95.7(2) . .
C8 Nd1 C16 B1 -121.0(2) . .
C26 Nd1 C16 B1 0.5(3) . .
C20 Nd1 C16 B1 31.2(2) . .
B1 C16 C17 C18 -3.9(5) . .
Nd1 C16 C17 C18 63.3(3) . .
B1 C16 C17 Nd1 -67.2(3) . .
C25 Nd1 C17 C16 111.4(2) . .
C1 Nd1 C17 C16 -102.5(2) . .
C18 Nd1 C17 C16 129.2(3) . .
C13 Nd1 C17 C16 -93.8(2) . .
C19 Nd1 C17 C16 96.9(2) . .
C2 Nd1 C17 C16 -67.4(3) . .
C7 Nd1 C17 C16 -47.3(2) . .
C8 Nd1 C17 C16 -64.7(2) . .
C26 Nd1 C17 C16 75.1(3) . .
C20 Nd1 C17 C16 64.7(2) . .
C25 Nd1 C17 C18 -17.8(2) . .
C1 Nd1 C17 C18 128.28(19) . .
C13 Nd1 C17 C18 137.0(2) . .
C19 Nd1 C17 C18 -32.38(19) . .
C2 Nd1 C17 C18 163.40(18) . .
C7 Nd1 C17 C18 -176.56(19) . .
C8 Nd1 C17 C18 166.1(2) . .
C26 Nd1 C17 C18 -54.1(3) . .
C16 Nd1 C17 C18 -129.2(3) . .
C20 Nd1 C17 C18 -64.6(2) . .
C16 C17 C18 C19 2.8(5) . .
Nd1 C17 C18 C19 68.8(3) . .
C16 C17 C18 Si1 174.5(3) . 2_755
Nd1 C17 C18 Si1 -119.6(2) . 2_755
C16 C17 C18 Nd1 -65.9(3) . .
C25 Nd1 C18 C19 43.5(2) . .
C1 Nd1 C18 C19 163.66(18) . .
C13 Nd1 C18 C19 -170.11(18) . .
C17 Nd1 C18 C19 -121.8(3) . .
C2 Nd1 C18 C19 -163.6(3) . .
C7 Nd1 C18 C19 -116.7(2) . .
C8 Nd1 C18 C19 -137.44(19) . .
C26 Nd1 C18 C19 20.2(2) . .
C16 Nd1 C18 C19 -94.0(2) . .
C20 Nd1 C18 C19 -26.40(18) . .
C25 Nd1 C18 C17 165.3(2) . .
C1 Nd1 C18 C17 -74.5(2) . .
C13 Nd1 C18 C17 -48.3(2) . .
C19 Nd1 C18 C17 121.8(3) . .
C2 Nd1 C18 C17 -41.8(4) . .
C7 Nd1 C18 C17 5.1(3) . .
C8 Nd1 C18 C17 -15.6(2) . .
C26 Nd1 C18 C17 142.0(2) . .
C16 Nd1 C18 C17 27.86(19) . .
C20 Nd1 C18 C17 95.4(2) . .
C25 Nd1 C18 Si1 -75.81(19) . 2_755
C1 Nd1 C18 Si1 44.4(3) . 2_755
C13 Nd1 C18 Si1 70.6(2) . 2_755
C17 Nd1 C18 Si1 118.9(3) . 2_755
C19 Nd1 C18 Si1 -119.3(3) . 2_755
C2 Nd1 C18 Si1 77.1(4) . 2_755
C7 Nd1 C18 Si1 124.00(19) . 2_755
C8 Nd1 C18 Si1 103.28(19) . 2_755
C26 Nd1 C18 Si1 -99.1(2) . 2_755
C16 Nd1 C18 Si1 146.7(2) . 2_755
C20 Nd1 C18 Si1 -145.7(2) . 2_755
C17 C18 C19 C20 -3.8(5) . .
Si1 C18 C19 C20 -175.5(3) 2_755 .
Nd1 C18 C19 C20 63.3(3) . .
C17 C18 C19 Nd1 -67.1(3) . .
Si1 C18 C19 Nd1 121.2(2) 2_755 .
C25 Nd1 C19 C20 94.0(2) . .
C1 Nd1 C19 C20 -173.4(3) . .
C18 Nd1 C19 C20 -131.5(3) . .
C13 Nd1 C19 C20 -116.4(2) . .
C17 Nd1 C19 C20 -98.5(2) . .
C2 Nd1 C19 C20 27.3(5) . .
C7 Nd1 C19 C20 -27.6(3) . .
C8 Nd1 C19 C20 -71.6(3) . .
C26 Nd1 C19 C20 66.7(2) . .
C16 Nd1 C19 C20 -65.1(2) . .
C25 Nd1 C19 C18 -134.5(2) . .
C1 Nd1 C19 C18 -41.9(4) . .
C13 Nd1 C19 C18 15.1(3) . .
C17 Nd1 C19 C18 32.98(18) . .
C2 Nd1 C19 C18 158.8(4) . .
C7 Nd1 C19 C18 103.9(2) . .
C8 Nd1 C19 C18 59.8(2) . .
C26 Nd1 C19 C18 -161.8(2) . .
C16 Nd1 C19 C18 66.3(2) . .
C20 Nd1 C19 C18 131.5(3) . .
C18 C19 C20 B1 5.6(5) . .
Nd1 C19 C20 B1 65.3(3) . .
C18 C19 C20 Nd1 -59.6(3) . .
N1 B1 C20 C19 175.5(4) . .
C16 B1 C20 C19 -5.9(5) . .
Nd1 B1 C20 C19 -61.7(3) . .
N1 B1 C20 Nd1 -122.8(4) . .
C16 B1 C20 Nd1 55.9(3) . .
C25 Nd1 C20 C19 -78.8(2) . .
C1 Nd1 C20 C19 170.2(4) . .
C18 Nd1 C20 C19 28.0(2) . .
C13 Nd1 C20 C19 104.4(3) . .
C17 Nd1 C20 C19 63.1(2) . .
C2 Nd1 C20 C19 -170.39(19) . .
C7 Nd1 C20 C19 162.2(2) . .
C8 Nd1 C20 C19 128.6(2) . .
C26 Nd1 C20 C19 -109.5(2) . .
C16 Nd1 C20 C19 96.4(2) . .
C25 Nd1 C20 B1 153.7(2) . .
C1 Nd1 C20 B1 42.7(6) . .
C18 Nd1 C20 B1 -99.5(2) . .
C13 Nd1 C20 B1 -23.1(3) . .
C17 Nd1 C20 B1 -64.4(2) . .
C19 Nd1 C20 B1 -127.5(3) . .
C2 Nd1 C20 B1 62.1(3) . .
C7 Nd1 C20 B1 34.7(2) . .
C8 Nd1 C20 B1 1.0(2) . .
C26 Nd1 C20 B1 122.9(2) . .
C16 Nd1 C20 B1 -31.1(2) . .
B1 N1 C21 C22 96.6(5) . .
C23 N1 C21 C22 -75.6(6) . .
B1 N1 C23 C24 117.3(6) . .
C21 N1 C23 C24 -70.6(7) . .
C1 Nd1 C25 C26 84.1(3) . .
C18 Nd1 C25 C26 -134.2(3) . .
C13 Nd1 C25 C26 92.5(3) . .
C17 Nd1 C25 C26 -125.4(3) . .
C19 Nd1 C25 C26 -113.5(3) . .
C2 Nd1 C25 C26 53.8(3) . .
C7 Nd1 C25 C26 31.4(3) . .
C8 Nd1 C25 C26 47.3(4) . .
C16 Nd1 C25 C26 -89.9(3) . .
C20 Nd1 C25 C26 -84.9(3) . .
C1 Nd1 C25 C26 -141.0(5) . 2_755
C18 Nd1 C25 C26 0.7(5) . 2_755
C13 Nd1 C25 C26 -132.5(5) . 2_755
C17 Nd1 C25 C26 9.6(6) . 2_755
C19 Nd1 C25 C26 21.5(5) . 2_755
C2 Nd1 C25 C26 -171.3(5) . 2_755
C7 Nd1 C25 C26 166.3(5) . 2_755
C8 Nd1 C25 C26 -177.7(5) . 2_755
C26 Nd1 C25 C26 135.0(6) . 2_755
C16 Nd1 C25 C26 45.1(6) . 2_755
C20 Nd1 C25 C26 50.1(5) . 2_755
C1 Nd1 C25 Nd1 -67.57(8) . 2_755
C18 Nd1 C25 Nd1 74.13(7) . 2_755
C13 Nd1 C25 Nd1 -59.11(13) . 2_755
C17 Nd1 C25 Nd1 83.00(10) . 2_755
C19 Nd1 C25 Nd1 94.87(8) . 2_755
C2 Nd1 C25 Nd1 -97.85(7) . 2_755
C7 Nd1 C25 Nd1 -120.28(10) . 2_755
C8 Nd1 C25 Nd1 -104.33(19) . 2_755
C26 Nd1 C25 Nd1 -151.6(3) . 2_755
C16 Nd1 C25 Nd1 118.48(11) . 2_755
C20 Nd1 C25 Nd1 123.45(7) . 2_755
C26 C25 C26 C27 39.1(6) 2_755 .
Nd1 C25 C26 C27 -89.2(9) 2_755 .
Nd1 C25 C26 C27 -163.7(8) . .
C26 C25 C26 Nd1 -157.13(18) 2_755 .
Nd1 C25 C26 Nd1 74.5(5) 2_755 .
C25 Nd1 C26 C27 145.9(15) . .
C1 Nd1 C26 C27 42.7(13) . .
C18 Nd1 C26 C27 -162.0(13) . .
C13 Nd1 C26 C27 30.2(14) . .
C17 Nd1 C26 C27 -135.3(13) . .
C19 Nd1 C26 C27 -152.2(13) . .
C2 Nd1 C26 C27 19.1(13) . .
C7 Nd1 C26 C27 -7.5(13) . .
C8 Nd1 C26 C27 -6.3(14) . .
C16 Nd1 C26 C27 -101.4(13) . .
C20 Nd1 C26 C27 -126.0(13) . .
C1 Nd1 C26 C25 -103.3(2) . .
C18 Nd1 C26 C25 52.0(3) . .
C13 Nd1 C26 C25 -115.7(2) . .
C17 Nd1 C26 C25 78.8(3) . .
C19 Nd1 C26 C25 61.9(2) . .
C2 Nd1 C26 C25 -126.8(3) . .
C7 Nd1 C26 C25 -153.5(2) . .
C8 Nd1 C26 C25 -152.20(19) . .
C16 Nd1 C26 C25 112.6(2) . .
C20 Nd1 C26 C25 88.1(2) . .
C25 C26 C27 C28 -141.7(8) . .
Nd1 C26 C27 C28 81.2(14) . .
C29 C29 C30 C31 -159.4(7) 2_655 .
