#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:38:41 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179196 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/35/4313574.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_4313574
loop_
_publ_author_name
'Steven C. F. Kui'
'Hung-Wing Li'
'Hung Kay Lee'
_publ_section_title
;
 Cerium(III) and Neodymium(III) Amides Derived from a Chelating 2-Pyridyl
 Amido Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2824
_journal_page_last               2826
_journal_paper_doi               10.1021/ic0340534
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C36 H63 N6 Nd Si3'
_chemical_formula_weight         808.43
_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                101.389(7)
_cell_angle_beta                 92.637(7)
_cell_angle_gamma                99.007(8)
_cell_formula_units_Z            2
_cell_length_a                   11.829(4)
_cell_length_b                   13.682(5)
_cell_length_c                   15.806(6)
_cell_measurement_temperature    293(2)
_cell_volume                     2469.0(15)
_computing_cell_refinement       'BRUKER SMART CCD DIFFRACTOMETER'
_computing_data_collection       'BRUKER SMART CCD DIFFRACTOMETER'
_computing_data_reduction        'BRUKER SMART CCD DIFFRACTOMETER'
_computing_molecular_graphics    'SIEMENS SHELXTL'
_computing_publication_material  'SIEMENS SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.929
_diffrn_measured_fraction_theta_max 0.929
_diffrn_measurement_device_type  'BRUKER SMART CCD DIFFRACTOMETER'
_diffrn_measurement_method       'OMEGA SCAN'
_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  0.0377
_diffrn_reflns_av_sigmaI/netI    0.0601
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11728
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    1.150
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5081
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            PALE_BLUE
_exptl_crystal_density_diffrn    1.087
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             846
_exptl_crystal_size_max          0.86
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.33
_refine_diff_density_max         1.086
_refine_diff_density_min         -0.657
_refine_diff_density_rms         0.126
_refine_ls_extinction_coef       0.0005(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.990
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         9015
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.990
_refine_ls_R_factor_all          0.0800
_refine_ls_R_factor_gt           0.0577
_refine_ls_shift/su_max          0.075
_refine_ls_shift/su_mean         0.009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1292P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1723
_refine_ls_wR_factor_ref         0.1914
_reflns_number_gt                6580
_reflns_number_total             9015
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0340534_2.cif
_cod_data_source_block           Compound2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'TRICLINIC' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        2468.9(16)
_cod_database_code               4313574
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 0.76593(3) 0.80244(3) 0.68463(2) 0.05453(17) Uani 1 1 d . . .
Si3 Si 1.0681(2) 0.8377(2) 0.78098(19) 0.0903(7) Uani 1 1 d . . .
Si1 Si 0.71772(19) 1.07329(15) 0.75177(13) 0.0659(5) Uani 1 1 d . . .
Si2 Si 0.83814(19) 0.77951(16) 0.45411(13) 0.0686(5) Uani 1 1 d . . .
N1 N 0.6742(5) 0.9492(4) 0.6998(3) 0.0588(13) Uani 1 1 d . . .
N2 N 0.5570(4) 0.7996(4) 0.6398(3) 0.0579(13) Uani 1 1 d . . .
N3 N 0.8053(4) 0.7253(4) 0.5414(3) 0.0561(13) Uani 1 1 d . . .
N4 N 0.7550(5) 0.6127(4) 0.6289(3) 0.0577(13) Uani 1 1 d . . .
N5 N 0.9236(5) 0.8174(5) 0.7903(4) 0.0669(15) Uani 1 1 d . . .
N6 N 0.7461(5) 0.7777(5) 0.8378(4) 0.0699(16) Uani 1 1 d . . .
C1 C 0.5747(5) 0.9032(5) 0.6529(4) 0.0529(14) Uani 1 1 d . . .
C2 C 0.4931(7) 0.9497(6) 0.6141(5) 0.072(2) Uani 1 1 d . . .
H2A H 0.5032 1.0197 0.6214 0.086 Uiso 1 1 calc R . .
C3 C 0.3985(7) 0.8899(7) 0.5654(6) 0.084(2) Uani 1 1 d . . .
H3A H 0.3443 0.9200 0.5400 0.101 Uiso 1 1 calc R . .
C4 C 0.3833(7) 0.7849(7) 0.5538(6) 0.083(2) Uani 1 1 d . . .
H4A H 0.3190 0.7442 0.5217 0.099 Uiso 1 1 calc R . .
C5 C 0.4652(6) 0.7438(6) 0.5907(5) 0.0691(18) Uani 1 1 d . . .
C6 C 0.4568(7) 0.6300(6) 0.5813(7) 0.102(3) Uani 1 1 d . . .
H6A H 0.5225 0.6160 0.6118 0.153 Uiso 1 1 calc R . .
H6B H 0.4546 0.5987 0.5211 0.153 Uiso 1 1 calc R . .
H6C H 0.3882 0.6035 0.6050 0.153 Uiso 1 1 calc R . .
C7 C 0.8702(8) 1.0795(7) 0.7880(7) 0.112(3) Uani 1 1 d . . .
H7A H 0.9130 1.0630 0.7385 0.168 Uiso 1 1 calc R . .
H7B H 0.8758 1.0320 0.8248 0.168 Uiso 1 1 calc R . .
H7C H 0.9010 1.1465 0.8196 0.168 Uiso 1 1 calc R . .
C8 C 0.7102(9) 1.1666(7) 0.6815(6) 0.095(3) Uani 1 1 d . . .
H8A H 0.7519 1.1491 0.6315 0.143 Uiso 1 1 calc R . .
H8B H 0.7433 1.2330 0.7132 0.143 Uiso 1 1 calc R . .
H8C H 0.6314 1.1658 0.6633 0.143 Uiso 1 1 calc R . .
C9 C 0.6354(10) 1.1058(7) 0.8512(5) 0.095(3) Uani 1 1 d . . .
C10 C 0.5085(12) 1.0917(12) 0.8277(8) 0.163(6) Uani 1 1 d . . .
H10A H 0.4696 1.1089 0.8792 0.244 Uiso 1 1 calc R . .
H10B H 0.4809 1.0224 0.8002 0.244 Uiso 1 1 calc R . .
H10C H 0.4939 1.1348 0.7888 0.244 Uiso 1 1 calc R . .
C11 C 0.6776(16) 1.2176(10) 0.8971(9) 0.189(7) Uani 1 1 d . . .
H11A H 0.6359 1.2339 0.9472 0.283 Uiso 1 1 calc R . .
H11B H 0.6650 1.2611 0.8580 0.283 Uiso 1 1 calc R . .
H11C H 0.7581 1.2271 0.9144 0.283 Uiso 1 1 calc R . .
C12 C 0.6613(17) 1.0414(12) 0.9132(7) 0.187(7) Uani 1 1 d . . .
H12A H 0.6205 1.0572 0.9639 0.280 Uiso 1 1 calc R . .
H12B H 0.7423 1.0543 0.9294 0.280 Uiso 1 1 calc R . .
H12C H 0.6379 0.9714 0.8861 0.280 Uiso 1 1 calc R . .
C13 C 0.8051(5) 0.6308(5) 0.5555(4) 0.0538(14) Uani 1 1 d . . .
C14 C 0.8521(6) 0.5500(5) 0.5041(5) 0.0627(17) Uani 1 1 d . . .
H14A H 0.8851 0.5587 0.4532 0.075 Uiso 1 1 calc R . .
C15 C 0.8478(7) 0.4599(5) 0.5307(5) 0.072(2) Uani 1 1 d . . .
H15A H 0.8788 0.4079 0.4978 0.087 Uiso 1 1 calc R . .
C16 C 0.7978(7) 0.4452(5) 0.6062(5) 0.0706(19) Uani 1 1 d . . .
H16A H 0.7949 0.3842 0.6242 0.085 Uiso 1 1 calc R . .
C17 C 0.7528(7) 0.5236(5) 0.6536(5) 0.0670(18) Uani 1 1 d . . .
C18 C 0.6971(10) 0.5135(7) 0.7350(6) 0.112(3) Uani 1 1 d . . .
H18A H 0.6710 0.5754 0.7588 0.167 Uiso 1 1 calc R . .
H18B H 0.7517 0.4996 0.7760 0.167 Uiso 1 1 calc R . .
H18C H 0.6330 0.4590 0.7225 0.167 Uiso 1 1 calc R . .
C19 C 0.8402(9) 0.9198(7) 0.4983(6) 0.102(3) Uani 1 1 d . . .
H19A H 0.8970 0.9435 0.5463 0.153 Uiso 1 1 calc R . .
H19B H 0.7661 0.9298 0.5171 0.153 Uiso 1 1 calc R . .
H19C H 0.8584 0.9568 0.4536 0.153 Uiso 1 1 calc R . .
C20 C 0.9833(8) 0.7639(8) 0.4152(7) 0.104(3) Uani 1 1 d . . .
H20A H 1.0405 0.7864 0.4631 0.155 Uiso 1 1 calc R . .
H20B H 1.0000 0.8035 0.3721 0.155 Uiso 1 1 calc R . .
H20C H 0.9834 0.6940 0.3907 0.155 Uiso 1 1 calc R . .
C21 C 0.7243(8) 0.7344(8) 0.3589(6) 0.094(3) Uani 1 1 d . . .
C22 C 0.6086(9) 0.7595(12) 0.3901(8) 0.146(5) Uani 1 1 d . . .
H22A H 0.5503 0.7374 0.3429 0.219 Uiso 1 1 calc R . .
H22B H 0.6154 0.8312 0.4106 0.219 Uiso 1 1 calc R . .
H22C H 0.5880 0.7254 0.4362 0.219 Uiso 1 1 calc R . .
C23 C 0.7569(13) 0.7916(10) 0.2854(7) 0.144(5) Uani 1 1 d . . .
H23A H 0.6996 0.7690 0.2376 0.216 Uiso 1 1 calc R . .
H23B H 0.8300 0.7783 0.2666 0.216 Uiso 1 1 calc R . .
H23C H 0.7612 0.8630 0.3067 0.216 Uiso 1 1 calc R . .
C24 C 0.7169(13) 0.6207(9) 0.3244(8) 0.144(5) Uani 1 1 d . . .
H24A H 0.6597 0.5985 0.2765 0.215 Uiso 1 1 calc R . .
H24B H 0.6965 0.5850 0.3695 0.215 Uiso 1 1 calc R . .
H24C H 0.7900 0.6073 0.3056 0.215 Uiso 1 1 calc R . .
C25 C 0.8616(7) 0.8055(6) 0.8576(5) 0.076(2) Uani 1 1 d . . .
C26 C 0.9014(10) 0.8191(9) 0.9465(6) 0.113(4) Uani 1 1 d . . .
H26A H 0.9793 0.8377 0.9639 0.135 Uiso 1 1 calc R . .
C27 C 0.8209(16) 0.8038(12) 1.0068(7) 0.153(6) Uani 1 1 d . . .
H27A H 0.8469 0.8088 1.0642 0.184 Uiso 1 1 calc R . .
C28 C 0.7067(14) 0.7821(10) 0.9846(8) 0.131(5) Uani 1 1 d . . .
H28A H 0.6547 0.7780 1.0266 0.157 Uiso 1 1 calc R . .
C29 C 0.6689(9) 0.7662(7) 0.8990(6) 0.096(3) Uani 1 1 d . . .
C30 C 0.5458(9) 0.7397(10) 0.8652(7) 0.131(4) Uani 1 1 d . . .
H30A H 0.4985 0.7332 0.9122 0.196 Uiso 1 1 calc R . .
H30B H 0.5340 0.6767 0.8237 0.196 Uiso 1 1 calc R . .
H30C H 0.5256 0.7920 0.8379 0.196 Uiso 1 1 calc R . .
C31 C 1.1478(13) 0.9491(10) 0.8600(11) 0.195(8) Uani 1 1 d . . .
H31A H 1.1121 1.0071 0.8581 0.293 Uiso 1 1 calc R . .
H31B H 1.2259 0.9624 0.8455 0.293 Uiso 1 1 calc R . .
H31C H 1.1466 0.9352 0.9172 0.293 Uiso 1 1 calc R . .
C32 C 1.0827(9) 0.8727(14) 0.6733(10) 0.192(8) Uani 1 1 d . . .
H32A H 1.0492 0.9320 0.6724 0.287 Uiso 1 1 calc R . .
H32B H 1.0438 0.8179 0.6288 0.287 Uiso 1 1 calc R . .
H32C H 1.1625 0.8860 0.6632 0.287 Uiso 1 1 calc R . .
C33 C 1.1352(8) 0.7187(9) 0.7815(6) 0.098(3) Uani 1 1 d . . .
C34 C 1.1291(16) 0.6923(12) 0.8684(9) 0.185(7) Uani 1 1 d . . .
H34A H 1.1627 0.6329 0.8686 0.277 Uiso 1 1 calc R . .
H34B H 1.0502 0.6796 0.8813 0.277 Uiso 1 1 calc R . .
H34C H 1.1703 0.7476 0.9114 0.277 Uiso 1 1 calc R . .
C35 C 1.2605(12) 0.7349(19) 0.7584(14) 0.263(12) Uani 1 1 d . . .
H35A H 1.2921 0.6745 0.7591 0.394 Uiso 1 1 calc R . .
H35B H 1.3043 0.7902 0.7999 0.394 Uiso 1 1 calc R . .
H35C H 1.2635 0.7500 0.7017 0.394 Uiso 1 1 calc R . .
C36 C 1.0739(14) 0.6314(11) 0.7155(10) 0.202(9) Uani 1 1 d . . .
H36A H 1.1091 0.5731 0.7170 0.303 Uiso 1 1 calc R . .
H36B H 1.0781 0.6473 0.6591 0.303 Uiso 1 1 calc R . .
H36C H 0.9950 0.6175 0.7277 0.303 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'
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
_geom_angle_publ_flag
N3 Nd1 N5 112.80(19) . . ?
N3 Nd1 N1 117.48(17) . . ?
N5 Nd1 N1 114.3(2) . . ?
N3 Nd1 N6 145.04(18) . . ?
N5 Nd1 N6 55.2(2) . . ?
N1 Nd1 N6 96.13(18) . . ?
N3 Nd1 N2 93.03(17) . . ?
N5 Nd1 N2 153.0(2) . . ?
N1 Nd1 N2 55.15(19) . . ?
N6 Nd1 N2 99.13(18) . . ?
N3 Nd1 N4 55.12(17) . . ?
N5 Nd1 N4 94.72(19) . . ?
N1 Nd1 N4 148.9(2) . . ?
N6 Nd1 N4 91.25(18) . . ?
N2 Nd1 N4 93.86(18) . . ?
N3 Nd1 C13 27.56(17) . . ?
N5 Nd1 C13 101.22(18) . . ?
N1 Nd1 C13 141.17(17) . . ?
N6 Nd1 C13 117.66(18) . . ?
N2 Nd1 C13 98.42(17) . . ?
N4 Nd1 C13 28.24(16) . . ?
N3 Nd1 C25 134.44(19) . . ?
N5 Nd1 C25 27.3(2) . . ?
N1 Nd1 C25 104.94(19) . . ?
N6 Nd1 C25 28.0(2) . . ?
N2 Nd1 C25 126.2(2) . . ?
N4 Nd1 C25 95.69(19) . . ?
C13 Nd1 C25 113.88(18) . . ?
N3 Nd1 C1 102.96(17) . . ?
N5 Nd1 C1 139.82(19) . . ?
N1 Nd1 C1 27.60(18) . . ?
N6 Nd1 C1 103.14(17) . . ?
N2 Nd1 C1 28.23(17) . . ?
N4 Nd1 C1 121.32(18) . . ?
C13 Nd1 C1 118.92(17) . . ?
C25 Nd1 C1 122.59(18) . . ?
N5 Si3 C32 104.3(4) . . ?
N5 Si3 C31 113.9(6) . . ?
C32 Si3 C31 104.9(8) . . ?
N5 Si3 C33 112.6(4) . . ?
C32 Si3 C33 108.8(6) . . ?
C31 Si3 C33 111.7(5) . . ?
N1 Si1 C7 104.0(4) . . ?
N1 Si1 C8 114.4(4) . . ?
C7 Si1 C8 108.3(5) . . ?
N1 Si1 C9 110.9(4) . . ?
C7 Si1 C9 108.4(5) . . ?
C8 Si1 C9 110.4(4) . . ?
N3 Si2 C20 114.1(3) . . ?
N3 Si2 C19 103.4(3) . . ?
C20 Si2 C19 108.0(5) . . ?
N3 Si2 C21 113.0(4) . . ?
C20 Si2 C21 109.4(5) . . ?
C19 Si2 C21 108.6(5) . . ?
C1 N1 Si1 130.3(4) . . ?
C1 N1 Nd1 97.0(4) . . ?
Si1 N1 Nd1 132.6(3) . . ?
C5 N2 C1 120.6(6) . . ?
C5 N2 Nd1 143.5(4) . . ?
C1 N2 Nd1 91.0(4) . . ?
C13 N3 Si2 132.5(5) . . ?
C13 N3 Nd1 97.4(4) . . ?
Si2 N3 Nd1 129.8(3) . . ?
C17 N4 C13 121.5(6) . . ?
C17 N4 Nd1 143.8(5) . . ?
C13 N4 Nd1 90.2(4) . . ?
C25 N5 Si3 132.0(5) . . ?
C25 N5 Nd1 97.5(5) . . ?
Si3 N5 Nd1 130.5(3) . . ?
C25 N6 C29 123.2(7) . . ?
C25 N6 Nd1 91.4(4) . . ?
C29 N6 Nd1 143.9(6) . . ?
N1 C1 N2 114.1(5) . . ?
N1 C1 C2 127.4(6) . . ?
N2 C1 C2 118.5(6) . . ?
N1 C1 Nd1 55.4(3) . . ?
N2 C1 Nd1 60.8(3) . . ?
C2 C1 Nd1 163.9(5) . . ?
C3 C2 C1 119.2(7) . . ?
C2 C3 C4 120.7(7) . . ?
C5 C4 C3 117.9(8) . . ?
N2 C5 C4 123.0(7) . . ?
N2 C5 C6 115.0(7) . . ?
C4 C5 C6 121.9(7) . . ?
C10 C9 C12 111.1(13) . . ?
C10 C9 C11 108.6(11) . . ?
C12 C9 C11 107.4(11) . . ?
C10 C9 Si1 111.6(6) . . ?
C12 C9 Si1 108.5(8) . . ?
C11 C9 Si1 109.6(9) . . ?
N3 C13 N4 114.6(5) . . ?
N3 C13 C14 127.8(6) . . ?
N4 C13 C14 117.6(6) . . ?
N3 C13 Nd1 55.1(3) . . ?
N4 C13 Nd1 61.6(3) . . ?
C14 C13 Nd1 165.5(4) . . ?
C15 C14 C13 119.4(7) . . ?
C14 C15 C16 121.1(7) . . ?
C17 C16 C15 118.1(6) . . ?
N4 C17 C16 122.2(7) . . ?
N4 C17 C18 116.5(7) . . ?
C16 C17 C18 121.3(7) . . ?
C24 C21 C22 111.3(11) . . ?
C24 C21 C23 109.2(9) . . ?
C22 C21 C23 108.6(9) . . ?
C24 C21 Si2 109.9(7) . . ?
C22 C21 Si2 108.4(7) . . ?
C23 C21 Si2 109.5(8) . . ?
N5 C25 N6 115.2(6) . . ?
N5 C25 C26 128.1(9) . . ?
N6 C25 C26 116.7(8) . . ?
N5 C25 Nd1 55.2(4) . . ?
N6 C25 Nd1 60.5(4) . . ?
C26 C25 Nd1 172.1(6) . . ?
C27 C26 C25 118.7(11) . . ?
C28 C27 C26 122.3(11) . . ?
C27 C28 C29 118.8(11) . . ?
C28 C29 N6 120.1(11) . . ?
C28 C29 C30 124.5(10) . . ?
N6 C29 C30 115.4(8) . . ?
C36 C33 C34 108.8(13) . . ?
C36 C33 C35 106.2(13) . . ?
C34 C33 C35 110.0(11) . . ?
C36 C33 Si3 111.2(7) . . ?
C34 C33 Si3 109.6(7) . . ?
C35 C33 Si3 111.0(11) . . ?
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
Nd1 N3 2.400(5) . ?
Nd1 N5 2.402(6) . ?
Nd1 N1 2.405(5) . ?
Nd1 N6 2.526(6) . ?
Nd1 N2 2.532(5) . ?
Nd1 N4 2.553(5) . ?
Nd1 C13 2.903(6) . ?
Nd1 C25 2.901(7) . ?
Nd1 C1 2.901(6) . ?
Si3 N5 1.706(6) . ?
Si3 C32 1.865(12) . ?
Si3 C31 1.860(12) . ?
Si3 C33 1.922(10) . ?
Si1 N1 1.720(6) . ?
Si1 C7 1.852(9) . ?
Si1 C8 1.860(8) . ?
Si1 C9 1.902(9) . ?
Si2 N3 1.723(5) . ?
Si2 C20 1.879(8) . ?
Si2 C19 1.904(9) . ?
Si2 C21 1.910(10) . ?
N1 C1 1.354(8) . ?
N2 C5 1.339(9) . ?
N2 C1 1.373(8) . ?
N3 C13 1.355(8) . ?
N4 C17 1.348(8) . ?
N4 C13 1.374(8) . ?
N5 C25 1.342(10) . ?
N6 C25 1.363(10) . ?
N6 C29 1.376(10) . ?
C1 C2 1.416(9) . ?
C2 C3 1.377(11) . ?
C3 C4 1.394(12) . ?
C4 C5 1.357(11) . ?
C5 C6 1.522(11) . ?
C9 C10 1.502(15) . ?
C9 C12 1.493(15) . ?
C9 C11 1.550(15) . ?
C13 C14 1.439(9) . ?
C14 C15 1.374(10) . ?
C15 C16 1.392(11) . ?
C16 C17 1.376(10) . ?
C17 C18 1.492(11) . ?
C21 C24 1.530(15) . ?
C21 C22 1.542(14) . ?
C21 C23 1.555(13) . ?
C25 C26 1.427(11) . ?
C26 C27 1.400(18) . ?
C27 C28 1.352(19) . ?
C28 C29 1.369(15) . ?
C29 C30 1.491(14) . ?
C33 C36 1.485(15) . ?
C33 C34 1.490(15) . ?
C33 C35 1.536(17) . ?
