#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:49:17 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178669 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/80/4078023.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_4078023
loop_
_publ_author_name
'Zhang, Jie'
'Qiu, Jinshui'
'Yao, Yingming'
'Zhang, Yong'
'Wang, Yaorong'
'Shen, Qi'
_publ_section_title
;
 Synthesis and Characterization of Lanthanide Amides Bearing Aminophenoxy
 Ligands and Their Catalytic Activity for the Polymerization of Lactides
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              3138
_journal_paper_doi               10.1021/om300036a
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C74 H120 N6 Nd2 O4 Si4'
_chemical_formula_weight         1558.60
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                108.345(2)
_cell_angle_beta                 92.086(2)
_cell_angle_gamma                102.169(2)
_cell_formula_units_Z            1
_cell_length_a                   10.1002(12)
_cell_length_b                   14.162(2)
_cell_length_c                   15.343(2)
_cell_measurement_reflns_used    9844
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2023.8(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0302
_diffrn_reflns_av_sigmaI/netI    0.0546
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18306
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.12
_exptl_absorpt_coefficient_mu    1.374
_exptl_absorpt_correction_T_max  0.652
_exptl_absorpt_correction_T_min  0.362
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.279
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             814
_exptl_crystal_size_max          1.00
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.651
_refine_diff_density_min         -1.578
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         9072
_refine_ls_number_restraints     51
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0403
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0559P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1011
_refine_ls_wR_factor_ref         0.1042
_reflns_number_gt                8278
_reflns_number_total             9072
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om300036a_si_001.cif
_cod_data_source_block           complex7
_cod_original_cell_volume        2023.9(5)
_cod_database_code               4078023
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 0.983936(15) 0.109977(13) 0.465286(11) 0.02425(7) Uani 1 1 d . . .
Si1 Si 0.73594(10) 0.19390(9) 0.34601(8) 0.0381(2) Uani 1 1 d . . .
Si2 Si 0.95775(13) 0.11934(10) 0.24472(8) 0.0431(3) Uani 1 1 d . . .
O1 O 0.9025(2) 0.20766(18) 0.58103(16) 0.0305(5) Uani 1 1 d . . .
O2 O 1.1714(2) 0.2686(2) 0.4849(2) 0.0423(7) Uani 1 1 d . . .
N1 N 0.8204(3) -0.0128(2) 0.52421(18) 0.0248(6) Uani 1 1 d . . .
N2 N 0.8725(3) -0.0927(2) 0.38317(19) 0.0280(6) Uani 1 1 d . . .
N3 N 0.8757(3) 0.1430(2) 0.3418(2) 0.0338(7) Uani 1 1 d . . .
C1 C 0.8557(3) 0.2079(3) 0.6621(2) 0.0289(7) Uani 1 1 d . . .
C2 C 0.8861(4) 0.2979(3) 0.7405(2) 0.0331(8) Uani 1 1 d . . .
C3 C 0.8384(4) 0.2904(3) 0.8241(3) 0.0383(9) Uani 1 1 d . . .
H3 H 0.8595 0.3496 0.8765 0.046 Uiso 1 1 calc R . .
C4 C 0.7624(4) 0.2012(3) 0.8334(2) 0.0346(8) Uani 1 1 d . . .
C5 C 0.7295(3) 0.1158(3) 0.7534(2) 0.0303(7) Uani 1 1 d . . .
H5 H 0.6749 0.0547 0.7566 0.036 Uiso 1 1 calc R . .
C6 C 0.7742(3) 0.1176(3) 0.6690(2) 0.0270(7) Uani 1 1 d . . .
C7 C 0.7194(3) 0.0244(3) 0.5847(2) 0.0278(7) Uani 1 1 d . . .
H7A H 0.6725 -0.0314 0.6054 0.033 Uiso 1 1 calc R . .
H7B H 0.6512 0.0402 0.5479 0.033 Uiso 1 1 calc R . .
C8 C 0.7691(3) -0.0727(2) 0.4361(2) 0.0232(7) Uani 1 1 d . . .
C9 C 0.6312(3) -0.1125(3) 0.3972(2) 0.0311(8) Uani 1 1 d . . .
H9 H 0.5600 -0.0990 0.4336 0.037 Uiso 1 1 calc R . .
C10 C 0.6034(4) -0.1712(3) 0.3054(3) 0.0375(9) Uani 1 1 d . . .
H10 H 0.5126 -0.1977 0.2783 0.045 Uiso 1 1 calc R . .
C11 C 0.7096(4) -0.1916(3) 0.2525(3) 0.0410(9) Uani 1 1 d . . .
H11 H 0.6913 -0.2319 0.1898 0.049 Uiso 1 1 calc R . .
C12 C 0.8401(4) -0.1523(3) 0.2929(2) 0.0336(8) Uani 1 1 d . . .
H12 H 0.9112 -0.1670 0.2569 0.040 Uiso 1 1 calc R . .
C13 C 0.9642(4) 0.4004(3) 0.7351(3) 0.0420(9) Uani 1 1 d . . .
C14 C 0.9761(6) 0.4895(3) 0.8265(3) 0.0681(15) Uani 1 1 d . . .
H14A H 0.8857 0.4965 0.8422 0.102 Uiso 1 1 calc R . .
H14B H 1.0265 0.5525 0.8194 0.102 Uiso 1 1 calc R . .
H14C H 1.0237 0.4755 0.8755 0.102 Uiso 1 1 calc R . .
C15 C 0.8899(5) 0.4277(3) 0.6613(3) 0.0511(11) Uani 1 1 d . . .
H15A H 0.8867 0.3762 0.6016 0.077 Uiso 1 1 calc R . .
H15B H 0.9380 0.4939 0.6596 0.077 Uiso 1 1 calc R . .
H15C H 0.7978 0.4303 0.6760 0.077 Uiso 1 1 calc R . .
C16 C 1.1090(4) 0.3950(3) 0.7134(3) 0.0521(11) Uani 1 1 d . . .
H16A H 1.1584 0.3863 0.7646 0.078 Uiso 1 1 calc R . .
H16B H 1.1547 0.4578 0.7038 0.078 Uiso 1 1 calc R . .
H16C H 1.1061 0.3375 0.6579 0.078 Uiso 1 1 calc R . .
C17 C 0.7143(4) 0.1955(3) 0.9256(3) 0.0440(10) Uani 1 1 d . . .
C18 C 0.5587(7) 0.1790(7) 0.9194(4) 0.114(3) Uani 1 1 d . . .
H18A H 0.5287 0.1800 0.9790 0.170 Uiso 1 1 calc R . .
H18B H 0.5170 0.1134 0.8733 0.170 Uiso 1 1 calc R . .
H18C H 0.5321 0.2332 0.9022 0.170 Uiso 1 1 calc R . .
C19 C 0.7763(8) 0.2903(5) 1.0058(3) 0.091(2) Uani 1 1 d . . .
H19A H 0.7411 0.3470 1.0001 0.137 Uiso 1 1 calc R . .
H19B H 0.8745 0.3063 1.0062 0.137 Uiso 1 1 calc R . .
H19C H 0.7531 0.2788 1.0630 0.137 Uiso 1 1 calc R . .
C20 C 0.7498(9) 0.1056(6) 0.9458(4) 0.106(3) Uani 1 1 d . . .
H20A H 0.8479 0.1136 0.9498 0.159 Uiso 1 1 calc R . .
H20B H 0.7064 0.0429 0.8965 0.159 Uiso 1 1 calc R . .
H20C H 0.7180 0.1025 1.0039 0.159 Uiso 1 1 calc R . .
C21 C 0.6294(4) 0.1716(4) 0.4383(3) 0.0536(12) Uani 1 1 d . . .
H21A H 0.5987 0.0987 0.4268 0.080 Uiso 1 1 calc R . .
H21B H 0.5510 0.2011 0.4378 0.080 Uiso 1 1 calc R . .
H21C H 0.6832 0.2037 0.4981 0.080 Uiso 1 1 calc R . .
C22 C 0.6157(5) 0.1384(5) 0.2371(4) 0.0780(17) Uani 1 1 d . . .
H22A H 0.6571 0.1612 0.1889 0.117 Uiso 1 1 calc R . .
H22B H 0.5318 0.1611 0.2480 0.117 Uiso 1 1 calc R . .
H22C H 0.5960 0.0643 0.2180 0.117 Uiso 1 1 calc R . .
C23 C 0.7813(5) 0.3369(4) 0.3723(4) 0.0588(13) Uani 1 1 d . . .
H23A H 0.8337 0.3696 0.4326 0.088 Uiso 1 1 calc R . .
H23B H 0.6985 0.3613 0.3722 0.088 Uiso 1 1 calc R . .
H23C H 0.8350 0.3535 0.3257 0.088 Uiso 1 1 calc R . .
C24 C 0.9994(5) 0.2302(4) 0.2004(4) 0.0647(14) Uani 1 1 d . . .
H24A H 0.9165 0.2508 0.1891 0.097 Uiso 1 1 calc R . .
H24B H 1.0406 0.2101 0.1433 0.097 Uiso 1 1 calc R . .
H24C H 1.0626 0.2871 0.2460 0.097 Uiso 1 1 calc R . .
C25 C 1.1235(5) 0.0903(5) 0.2745(3) 0.0628(14) Uani 1 1 d . . .
H25A H 1.1808 0.1503 0.3205 0.094 Uiso 1 1 calc R . .
H25B H 1.1695 0.0715 0.2193 0.094 Uiso 1 1 calc R . .
H25C H 1.1057 0.0340 0.2989 0.094 Uiso 1 1 calc R . .
C26 C 0.8671(6) 0.0063(4) 0.1433(3) 0.0724(16) Uani 1 1 d . . .
H26A H 0.9247 -0.0039 0.0935 0.109 Uiso 1 1 calc R . .
H26B H 0.7826 0.0187 0.1225 0.109 Uiso 1 1 calc R . .
H26C H 0.8473 -0.0544 0.1616 0.109 Uiso 1 1 calc R . .
C27 C 1.1445(5) 0.3567(4) 0.4644(5) 0.0726(8) Uani 1 1 d . . .
H27A H 1.1144 0.4029 0.5180 0.087 Uiso 1 1 calc R . .
H27B H 1.0740 0.3351 0.4119 0.087 Uiso 1 1 calc R . .
C28 C 1.2770(4) 0.4079(4) 0.4416(5) 0.0726(8) Uani 1 1 d . . .
H28A H 1.2837 0.3819 0.3751 0.087 Uiso 1 1 calc R . .
H28B H 1.2868 0.4821 0.4605 0.087 Uiso 1 1 calc R . .
C29 C 1.3801(5) 0.3832(4) 0.4928(5) 0.0726(8) Uani 1 1 d . . .
H29A H 1.4150 0.4397 0.5505 0.087 Uiso 1 1 calc R . .
H29B H 1.4563 0.3716 0.4563 0.087 Uiso 1 1 calc R . .
C30 C 1.3158(5) 0.2889(4) 0.5130(5) 0.0726(8) Uani 1 1 d . . .
H30A H 1.3532 0.2314 0.4784 0.087 Uiso 1 1 calc R . .
H30B H 1.3321 0.2994 0.5791 0.087 Uiso 1 1 calc R . .
C31 C 0.3137(15) 0.3858(14) 0.0575(10) 0.1455(19) Uiso 0.50 1 d PD A 1
C31' C 0.4106(15) 0.4145(14) 0.1345(10) 0.1455(19) Uiso 0.50 1 d PD B 2
C32 C 0.3167(16) 0.2999(15) 0.0804(11) 0.1455(19) Uiso 0.50 1 d PD A 1
C32' C 0.3581(16) 0.3100(14) 0.1152(11) 0.1455(19) Uiso 0.50 1 d PD B 2
C33 C 0.408(2) 0.3086(15) 0.1565(13) 0.1455(19) Uiso 0.50 1 d PD A 1
C33' C 0.2574(19) 0.2598(14) 0.0362(13) 0.1455(19) Uiso 0.50 1 d PD B 2
C34 C 0.488(2) 0.4038(16) 0.1999(14) 0.1455(19) Uiso 0.50 1 d PD A 1
C34' C 0.218(2) 0.3201(15) -0.0052(14) 0.1455(19) Uiso 0.50 1 d PD B 2
C35 C 0.495(2) 0.4997(14) 0.1878(14) 0.1455(19) Uiso 0.50 1 d PD A 1
C35' C 0.277(2) 0.4212(15) -0.0022(14) 0.1455(19) Uiso 0.50 1 d PD B 2
C36 C 0.399(2) 0.4811(14) 0.1149(13) 0.1455(19) Uiso 0.50 1 d PD A 1
C36' C 0.377(2) 0.4661(15) 0.0747(13) 0.1455(19) Uiso 0.50 1 d PD B 2
C37 C 0.209(2) 0.3673(17) -0.0264(13) 0.1455(19) Uiso 0.50 1 d PD A 1
C37' C 0.501(2) 0.4707(16) 0.2304(12) 0.1455(19) Uiso 0.50 1 d PD B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nd Nd -0.1943 3.0179 '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'
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
O1 Nd1 N3 99.34(10) . .
O1 Nd1 N1 74.87(9) . .
N3 Nd1 N1 111.46(10) . .
O1 Nd1 O2 85.63(9) . .
N3 Nd1 O2 88.29(10) . .
N1 Nd1 O2 153.97(9) . .
O1 Nd1 N1 126.72(9) . 2_756
N3 Nd1 N1 133.20(9) . 2_756
N1 Nd1 N1 90.49(8) . 2_756
O2 Nd1 N1 87.50(8) . 2_756
O1 Nd1 N2 123.41(8) . .
N3 Nd1 N2 89.37(9) . .
N1 Nd1 N2 50.45(8) . .
O2 Nd1 N2 150.83(9) . .
N1 Nd1 N2 73.18(8) 2_756 .
O1 Nd1 N2 78.37(9) . 2_756
N3 Nd1 N2 173.90(9) . 2_756
N1 Nd1 N2 73.55(8) . 2_756
O2 Nd1 N2 85.90(9) . 2_756
N1 Nd1 N2 48.44(8) 2_756 2_756
N2 Nd1 N2 96.61(8) . 2_756
O1 Nd1 C8 95.78(9) . .
N3 Nd1 C8 90.12(10) . .
N1 Nd1 C8 27.99(9) . .
O2 Nd1 C8 178.04(8) . .
N1 Nd1 C8 92.74(8) 2_756 .
N2 Nd1 C8 27.93(8) . .
N2 Nd1 C8 95.72(9) 2_756 .
O1 Nd1 Si2 123.98(7) . .
N3 Nd1 Si2 27.11(7) . .
N1 Nd1 Si2 124.90(6) . .
O2 Nd1 Si2 80.31(7) . .
N1 Nd1 Si2 106.60(6) 2_756 .
N2 Nd1 Si2 84.46(6) . .
N2 Nd1 Si2 152.23(6) 2_756 .
C8 Nd1 Si2 97.75(7) . .
O1 Nd1 Nd1 104.68(6) . 2_756
N3 Nd1 Nd1 138.68(8) . 2_756
N1 Nd1 Nd1 46.59(6) . 2_756
O2 Nd1 Nd1 126.25(6) . 2_756
N1 Nd1 Nd1 43.89(6) 2_756 2_756
N2 Nd1 Nd1 49.33(6) . 2_756
N2 Nd1 Nd1 47.29(6) 2_756 2_756
C8 Nd1 Nd1 54.73(6) . 2_756
Si2 Nd1 Nd1 127.18(2) . 2_756
N3 Si1 C22 114.0(2) . .
N3 Si1 C21 112.26(18) . .
C22 Si1 C21 104.7(2) . .
N3 Si1 C23 113.01(18) . .
C22 Si1 C23 106.7(3) . .
C21 Si1 C23 105.4(2) . .
N3 Si2 C24 113.9(2) . .
N3 Si2 C25 107.56(18) . .
C24 Si2 C25 107.3(2) . .
N3 Si2 C26 115.7(2) . .
C24 Si2 C26 106.0(3) . .
C25 Si2 C26 105.7(3) . .
N3 Si2 Nd1 39.31(10) . .
C24 Si2 Nd1 130.96(19) . .
C25 Si2 Nd1 68.55(15) . .
C26 Si2 Nd1 122.47(17) . .
C1 O1 Nd1 140.3(2) . .
C30 O2 C27 108.3(3) . .
C30 O2 Nd1 129.7(3) . .
C27 O2 Nd1 121.9(2) . .
C8 N1 C7 115.4(2) . .
C8 N1 Nd1 90.97(19) . .
C7 N1 Nd1 119.9(2) . .
C8 N1 Nd1 94.95(18) . 2_756
C7 N1 Nd1 135.4(2) . 2_756
Nd1 N1 Nd1 89.51(8) . 2_756
C12 N2 C8 118.6(3) . .
C12 N2 Nd1 132.3(2) . .
C8 N2 Nd1 83.90(18) . .
C12 N2 Nd1 133.8(2) . 2_756
C8 N2 Nd1 89.04(19) . 2_756
Nd1 N2 Nd1 83.39(8) . 2_756
Si2 N3 Si1 120.18(18) . .
Si2 N3 Nd1 113.58(15) . .
Si1 N3 Nd1 126.10(16) . .
O1 C1 C6 119.5(3) . .
O1 C1 C2 121.2(3) . .
C6 C1 C2 119.3(3) . .
C3 C2 C1 117.6(3) . .
C3 C2 C13 120.7(3) . .
C1 C2 C13 121.7(3) . .
C4 C3 C2 124.0(3) . .
C4 C3 H3 118.0 . .
C2 C3 H3 118.0 . .
C3 C4 C5 116.4(3) . .
C3 C4 C17 122.6(3) . .
C5 C4 C17 121.1(4) . .
C6 C5 C4 122.6(3) . .
C6 C5 H5 118.7 . .
C4 C5 H5 118.7 . .
C5 C6 C1 120.0(3) . .
C5 C6 C7 118.0(3) . .
C1 C6 C7 121.6(3) . .
N1 C7 C6 116.2(3) . .
N1 C7 H7A 108.2 . .
C6 C7 H7A 108.2 . .
N1 C7 H7B 108.2 . .
C6 C7 H7B 108.2 . .
H7A C7 H7B 107.4 . .
N1 C8 N2 110.5(3) . .
N1 C8 C9 129.0(3) . .
N2 C8 C9 120.6(3) . .
N1 C8 Nd1 61.04(16) . .
N2 C8 Nd1 68.16(17) . .
C9 C8 Nd1 138.8(2) . .
C10 C9 C8 118.7(3) . .
C10 C9 H9 120.6 . .
C8 C9 H9 120.6 . .
C9 C10 C11 120.1(3) . .
C9 C10 H10 119.9 . .
C11 C10 H10 119.9 . .
C12 C11 C10 119.0(3) . .
C12 C11 H11 120.5 . .
C10 C11 H11 120.5 . .
C11 C12 N2 123.0(3) . .
C11 C12 H12 118.5 . .
N2 C12 H12 118.5 . .
C16 C13 C15 110.5(4) . .
C16 C13 C2 110.2(3) . .
C15 C13 C2 109.6(3) . .
C16 C13 C14 106.9(4) . .
C15 C13 C14 106.7(4) . .
C2 C13 C14 112.9(4) . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C13 C16 H16A 109.5 . .
C13 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C13 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C19 C17 C20 107.9(5) . .
C19 C17 C4 113.0(4) . .
C20 C17 C4 110.3(4) . .
C19 C17 C18 108.6(5) . .
C20 C17 C18 107.5(6) . .
C4 C17 C18 109.4(4) . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C17 C20 H20A 109.5 . .
C17 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C17 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
Si1 C21 H21A 109.5 . .
Si1 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
Si1 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
Si1 C22 H22A 109.5 . .
Si1 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
Si1 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
Si1 C23 H23A 109.5 . .
Si1 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
Si1 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
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 . .
O2 C27 C28 105.0(4) . .
O2 C27 H27A 110.7 . .
C28 C27 H27A 110.7 . .
O2 C27 H27B 110.7 . .
C28 C27 H27B 110.7 . .
H27A C27 H27B 108.8 . .
C29 C28 C27 105.1(4) . .
C29 C28 H28A 110.7 . .
C27 C28 H28A 110.7 . .
C29 C28 H28B 110.7 . .
C27 C28 H28B 110.7 . .
H28A C28 H28B 108.8 . .
C28 C29 C30 107.6(4) . .
C28 C29 H29A 110.2 . .
C30 C29 H29A 110.2 . .
C28 C29 H29B 110.2 . .
C30 C29 H29B 110.2 . .
H29A C29 H29B 108.5 . .
O2 C30 C29 106.2(4) . .
O2 C30 H30A 110.5 . .
C29 C30 H30A 110.5 . .
O2 C30 H30B 110.5 . .
C29 C30 H30B 110.5 . .
H30A C30 H30B 108.7 . .
C32 C31 C36 117.8(15) . .
C32 C31 C37 114.4(14) . .
C36 C31 C37 127.6(18) . .
C32' C31' C36' 121.7(15) . .
C32' C31' C37' 115.0(14) . .
C36' C31' C37' 123.2(17) . .
C31 C32 C33 118.9(16) . .
C31' C32' C33' 116.4(15) . .
C34 C33 C32 115.3(17) . .
C34' C33' C32' 115.9(17) . .
C33 C34 C35 133.2(17) . .
C33' C34' C35' 132.0(18) . .
C36 C35 C34 105.4(16) . .
C36' C35' C34' 107.9(16) . .
C35 C36 C31 129.1(17) . .
C35' C36' C31' 123.8(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd1 O1 2.187(2) .
Nd1 N3 2.372(3) .
Nd1 N1 2.541(3) .
Nd1 O2 2.543(3) .
Nd1 N1 2.663(3) 2_756
Nd1 N2 2.711(3) .
Nd1 N2 2.798(3) 2_756
Nd1 C8 2.904(3) .
Nd1 Si2 3.4311(12) .
Nd1 Nd1 3.6652(6) 2_756
Si1 N3 1.710(3) .
Si1 C22 1.873(5) .
Si1 C21 1.874(4) .
Si1 C23 1.886(5) .
Si2 N3 1.706(3) .
Si2 C24 1.876(5) .
Si2 C25 1.880(5) .
Si2 C26 1.880(5) .
O1 C1 1.346(4) .
O2 C30 1.447(5) .
O2 C27 1.453(6) .
N1 C8 1.363(4) .
N1 C7 1.471(4) .
N1 Nd1 2.663(3) 2_756
N2 C12 1.361(4) .
N2 C8 1.368(4) .
N2 Nd1 2.798(3) 2_756
C1 C6 1.404(5) .
C1 C2 1.418(5) .
C2 C3 1.413(5) .
C2 C13 1.527(5) .
C3 C4 1.386(6) .
C3 H3 0.9400 .
C4 C5 1.394(5) .
C4 C17 1.533(5) .
C5 C6 1.393(5) .
C5 H5 0.9400 .
C6 C7 1.513(5) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C8 C9 1.418(4) .
C9 C10 1.375(5) .
C9 H9 0.9400 .
C10 C11 1.392(5) .
C10 H10 0.9400 .
C11 C12 1.358(5) .
C11 H11 0.9400 .
C12 H12 0.9400 .
C13 C16 1.523(6) .
C13 C15 1.527(6) .
C13 C14 1.544(6) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C14 H14C 0.9700 .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C15 H15C 0.9700 .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C16 H16C 0.9700 .
C17 C19 1.504(7) .
C17 C20 1.509(7) .
C17 C18 1.534(8) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C18 H18C 0.9700 .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C19 H19C 0.9700 .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C20 H20C 0.9700 .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C21 H21C 0.9700 .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C22 H22C 0.9700 .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C23 H23C 0.9700 .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C24 H24C 0.9700 .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C25 H25C 0.9700 .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C26 H26C 0.9700 .
C27 C28 1.491(6) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C28 C29 1.446(7) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C29 C30 1.487(6) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C31 C32 1.374(16) .
C31 C36 1.432(13) .
C31 C37 1.556(16) .
C31' C32' 1.393(16) .
C31' C36' 1.413(13) .
C31' C37' 1.576(16) .
C32 C33 1.419(15) .
C32' C33' 1.440(15) .
C33 C34 1.359(16) .
C33' C34' 1.328(16) .
C34 C35 1.414(13) .
C34' C35' 1.415(16) .
C35 C36 1.374(16) .
C35' C36' 1.413(16) .
