#------------------------------------------------------------------------------
#$Date: 2016-03-21 09:25:51 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178623 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/34/4073404.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_4073404
loop_
_publ_author_name
'Yang, Yi'
'Liu, Bo'
'Lv, Kui'
'Gao, Wei'
'Cui, Dongmei'
'Chen, Xuesi'
'Jing, Xiabin'
_publ_section_title
;
 Pyrrolide-Supported Lanthanide Alkyl Complexes. Influence of Ligands on
 Molecular Structure and Catalytic Activity toward Isoprene Polymerization
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              4575
_journal_paper_doi               10.1021/om7003095
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C45 H66 Lu2 N8 Si2'
_chemical_formula_weight         1125.18
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           96
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.9571(7)
_cell_length_b                   14.9571(7)
_cell_length_c                   21.8098(14)
_cell_measurement_temperature    187(2)
_cell_volume                     4879.2(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      187(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0578
_diffrn_reflns_av_sigmaI/netI    0.0315
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            27553
_diffrn_reflns_theta_full        26.04
_diffrn_reflns_theta_max         26.04
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    4.110
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2248
_exptl_crystal_size_max          0.128
_exptl_crystal_size_mid          0.093
_exptl_crystal_size_min          0.074
_refine_diff_density_max         0.738
_refine_diff_density_min         -0.537
_refine_diff_density_rms         0.069
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.020(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.965
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     266
_refine_ls_number_reflns         4826
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.965
_refine_ls_R_factor_all          0.0205
_refine_ls_R_factor_gt           0.0184
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0191P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0406
_refine_ls_wR_factor_ref         0.0411
_reflns_number_gt                4513
_reflns_number_total             4826
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om7003095-file002.cif
_cod_data_source_block           complex4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P4(3)2(1)2
_cod_database_code               4073404
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y+1/2, x+1/2, z+3/4'
'y+1/2, -x+1/2, z+1/4'
'-x+1/2, y+1/2, -z+3/4'
'x+1/2, -y+1/2, -z+1/4'
'y, x, -z'
'-y, -x, -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
Lu1 Lu 1.025035(7) 1.025035(7) 0.0000 0.02444(5) Uani 1 2 d S
Lu2 Lu 0.827468(7) 0.827468(7) 0.0000 0.02367(5) Uani 1 2 d S
Si1 Si 1.06956(8) 1.24702(7) 0.07855(6) 0.0478(3) Uani 1 1 d .
N3 N 0.79231(18) 0.94140(19) 0.07921(12) 0.0290(6) Uani 1 1 d .
N1 N 0.97789(17) 0.86633(17) 0.03529(11) 0.0269(6) Uani 1 1 d .
N2 N 0.67488(18) 0.80952(17) 0.03420(13) 0.0323(6) Uani 1 1 d .
C3 C 1.1279(2) 0.8748(2) 0.01724(15) 0.0376(8) Uani 1 1 d .
H3 H 1.1831 0.8709 -0.0023 0.045 Uiso 1 1 calc R
C1 C 1.0194(2) 0.8997(2) 0.08581(15) 0.0325(8) Uani 1 1 d .
H1 H 0.9902 0.9161 0.1218 0.039 Uiso 1 1 calc R
N4 N 0.85205(17) 0.72649(19) 0.08315(13) 0.0338(7) Uani 1 1 d .
C5 C 0.8117(2) 1.0224(2) 0.06596(17) 0.0315(8) Uani 1 1 d .
H5 H 0.8009 1.0674 0.0944 0.038 Uiso 1 1 calc R
C16 C 1.0593(3) 1.1247(2) 0.07757(17) 0.0442(10) Uani 1 1 d .
H16A H 1.0158 1.1118 0.1093 0.053 Uiso 1 1 calc R
H16B H 1.1161 1.1036 0.0934 0.053 Uiso 1 1 calc R
C6 C 0.7461(2) 0.9254(2) 0.13817(15) 0.0356(9) Uani 1 1 d .
H6A H 0.7464 0.9804 0.1618 0.043 Uiso 1 1 calc R
H6B H 0.7793 0.8810 0.1612 0.043 Uiso 1 1 calc R
C10 C 0.6448(2) 0.8032(2) 0.09754(16) 0.0376(9) Uani 1 1 d .
H10A H 0.6817 0.7601 0.1191 0.045 Uiso 1 1 calc R
H10B H 0.5837 0.7816 0.0982 0.045 Uiso 1 1 calc R
C7 C 0.6495(2) 0.8935(3) 0.13113(17) 0.0387(9) Uani 1 1 d .
C8 C 0.5936(2) 0.9643(2) 0.09911(18) 0.0452(10) Uani 1 1 d .
H8A H 0.6175 0.9752 0.0589 0.068 Uiso 1 1 calc R
H8B H 0.5950 1.0186 0.1225 0.068 Uiso 1 1 calc R
H8C H 0.5330 0.9438 0.0956 0.068 Uiso 1 1 calc R
C2 C 1.1112(2) 0.9063(2) 0.07663(17) 0.0398(9) Uani 1 1 d .
H2 H 1.1533 0.9274 0.1045 0.048 Uiso 1 1 calc R
C17 C 1.0930(3) 1.2957(3) 0.0017(2) 0.0745(14) Uani 1 1 d .
H17A H 1.1487 1.2728 -0.0134 0.112 Uiso 1 1 calc R
H17B H 1.0964 1.3596 0.0049 0.112 Uiso 1 1 calc R
H17C H 1.0458 1.2797 -0.0261 0.112 Uiso 1 1 calc R
C9 C 0.6121(3) 0.8785(3) 0.19576(17) 0.0566(12) Uani 1 1 d .
H9A H 0.6170 0.9328 0.2190 0.085 Uiso 1 1 calc R
H9B H 0.6454 0.8320 0.2157 0.085 Uiso 1 1 calc R
H9C H 0.5504 0.8613 0.1930 0.085 Uiso 1 1 calc R
C19 C 0.9642(3) 1.3016(3) 0.1081(2) 0.0849(17) Uani 1 1 d .
H19A H 0.9150 1.2864 0.0818 0.127 Uiso 1 1 calc R
H19B H 0.9719 1.3653 0.1086 0.127 Uiso 1 1 calc R
H19C H 0.9521 1.2808 0.1489 0.127 Uiso 1 1 calc R
C18 C 1.1654(3) 1.2819(3) 0.1288(2) 0.0791(16) Uani 1 1 d .
H18A H 1.1579 1.2565 0.1689 0.119 Uiso 1 1 calc R
H18B H 1.1668 1.3459 0.1318 0.119 Uiso 1 1 calc R
H18C H 1.2205 1.2610 0.1114 0.119 Uiso 1 1 calc R
C11 C 0.6152(2) 0.8146(2) -0.00768(18) 0.0371(9) Uani 1 1 d .
H11 H 0.5554 0.8063 0.0026 0.045 Uiso 1 1 calc R
C12 C 0.8735(2) 0.7272(3) 0.14324(15) 0.0382(8) Uani 1 1 d .
H12 H 0.8903 0.7782 0.1648 0.046 Uiso 1 1 calc R
C15 C 0.8328(2) 0.6386(2) 0.06968(19) 0.0357(9) Uani 1 1 d .
C14 C 0.8420(2) 0.5854(3) 0.12200(18) 0.0443(10) Uani 1 1 d .
H14 H 0.8328 0.5240 0.1247 0.053 Uiso 1 1 calc R
C13 C 0.8673(2) 0.6421(3) 0.16895(19) 0.0445(10) Uani 1 1 d .
H13 H 0.8780 0.6266 0.2096 0.053 Uiso 1 1 calc R
C4 C 1.04504(19) 0.85079(19) -0.00651(17) 0.0297(8) Uani 1 1 d .
C20 C 1.0736(3) -0.0736(3) 0.2500 0.0534(14) Uani 1 2 d S
H20 H 1.1176 -0.1176 0.2500 0.064 Uiso 1 2 calc SR
C21 C 1.0959(3) 0.0151(3) 0.23868(18) 0.0559(12) Uani 1 1 d .
H21 H 1.1549 0.0308 0.2305 0.067 Uiso 1 1 calc R
C23 C 0.9426(3) 0.0574(3) 0.2500 0.0585(16) Uani 1 2 d S
C22 C 1.0305(3) 0.0793(3) 0.23965(19) 0.0565(12) Uani 1 1 d .
H22 H 1.0460 0.1387 0.2332 0.068 Uiso 1 1 calc R
C24 C 0.8710(3) 0.1290(3) 0.2500 0.089(2) Uani 1 2 d S
H24A H 0.8282 0.1165 0.2183 0.134 Uiso 0.50 1 calc PR
H24B H 0.8980 0.1862 0.2426 0.134 Uiso 0.50 1 calc PR
H24C H 0.8414 0.1297 0.2891 0.134 Uiso 0.50 1 calc PR
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'
Lu Lu -0.4720 5.8584 '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
C16 Lu1 C16 104.47(19) 7 .
C16 Lu1 N1 115.66(11) 7 7
C16 Lu1 N1 126.53(12) . 7
C16 Lu1 N1 126.53(12) 7 .
C16 Lu1 N1 115.66(11) . .
N1 Lu1 N1 65.81(11) 7 .
C16 Lu1 C4 96.13(13) 7 .
C16 Lu1 C4 130.83(12) . .
N1 Lu1 C4 79.54(9) 7 .
N1 Lu1 C4 30.56(9) . .
C16 Lu1 C4 130.83(12) 7 7
C16 Lu1 C4 96.13(13) . 7
N1 Lu1 C4 30.56(9) 7 7
N1 Lu1 C4 79.54(9) . 7
C4 Lu1 C4 103.23(13) . 7
C16 Lu1 C1 86.91(12) 7 7
C16 Lu1 C1 133.95(13) . 7
N1 Lu1 C1 30.04(8) 7 7
N1 Lu1 C1 89.32(9) . 7
C4 Lu1 C1 90.62(11) . 7
C4 Lu1 C1 48.72(11) 7 7
C16 Lu1 C1 133.95(13) 7 .
C16 Lu1 C1 86.91(12) . .
N1 Lu1 C1 89.32(9) 7 .
N1 Lu1 C1 30.04(8) . .
C4 Lu1 C1 48.72(11) . .
C4 Lu1 C1 90.62(11) 7 .
C1 Lu1 C1 116.98(14) 7 .
C16 Lu1 C3 85.42(12) 7 .
C16 Lu1 C3 107.62(13) . .
N1 Lu1 C3 109.32(10) 7 .
N1 Lu1 C3 50.48(10) . .
C4 Lu1 C3 29.88(10) . .
C4 Lu1 C3 129.88(11) 7 .
C1 Lu1 C3 117.81(11) 7 .
C1 Lu1 C3 48.95(11) . .
C16 Lu1 C3 107.62(13) 7 7
C16 Lu1 C3 85.42(12) . 7
N1 Lu1 C3 50.48(10) 7 7
N1 Lu1 C3 109.32(10) . 7
C4 Lu1 C3 129.88(11) . 7
C4 Lu1 C3 29.88(10) 7 7
C1 Lu1 C3 48.95(11) 7 7
C1 Lu1 C3 117.81(11) . 7
C3 Lu1 C3 159.04(16) . 7
C16 Lu1 C2 82.43(13) 7 7
C16 Lu1 C2 106.55(13) . 7
N1 Lu1 C2 50.04(10) 7 7
N1 Lu1 C2 115.62(10) . 7
C4 Lu1 C2 120.27(11) . 7
C4 Lu1 C2 48.76(11) 7 7
C1 Lu1 C2 29.73(11) 7 7
C1 Lu1 C2 137.54(11) . 7
C3 Lu1 C2 145.61(10) . 7
C3 Lu1 C2 29.46(10) 7 7
C16 Lu1 C2 106.55(13) 7 .
C16 Lu1 C2 82.43(13) . .
N1 Lu1 C2 115.62(10) 7 .
N1 Lu1 C2 50.04(10) . .
C4 Lu1 C2 48.76(11) . .
C4 Lu1 C2 120.27(11) 7 .
C1 Lu1 C2 137.54(11) 7 .
C1 Lu1 C2 29.73(11) . .
C3 Lu1 C2 29.46(10) . .
C3 Lu1 C2 145.61(10) 7 .
C2 Lu1 C2 165.64(16) 7 .
N4 Lu2 N4 140.46(13) 7 .
N4 Lu2 N2 80.84(9) 7 7
N4 Lu2 N2 69.77(10) . 7
N4 Lu2 N2 69.77(10) 7 .
N4 Lu2 N2 80.84(9) . .
N2 Lu2 N2 83.42(12) 7 .
N4 Lu2 N1 141.57(9) 7 .
N4 Lu2 N1 76.70(9) . .
N2 Lu2 N1 115.06(9) 7 .
N2 Lu2 N1 142.90(9) . .
N4 Lu2 N1 76.70(8) 7 7
N4 Lu2 N1 141.57(9) . 7
N2 Lu2 N1 142.90(9) 7 7
N2 Lu2 N1 115.06(9) . 7
N1 Lu2 N1 70.27(11) . 7
N4 Lu2 N3 86.46(9) 7 7
N4 Lu2 N3 106.78(9) . 7
N2 Lu2 N3 70.21(9) 7 7
N2 Lu2 N3 147.10(9) . 7
N1 Lu2 N3 68.79(8) . 7
N1 Lu2 N3 79.22(9) 7 7
N4 Lu2 N3 106.78(9) 7 .
N4 Lu2 N3 86.46(9) . .
N2 Lu2 N3 147.10(9) 7 .
N2 Lu2 N3 70.21(9) . .
N1 Lu2 N3 79.22(9) . .
N1 Lu2 N3 68.79(8) 7 .
N3 Lu2 N3 140.79(12) 7 .
C16 Si1 C17 113.28(19) . .
C16 Si1 C18 110.3(2) . .
C17 Si1 C18 105.9(2) . .
C16 Si1 C19 111.4(2) . .
C17 Si1 C19 107.2(2) . .
C18 Si1 C19 108.5(2) . .
C5 N3 C6 117.1(3) . .
C5 N3 Lu2 116.4(2) . .
C6 N3 Lu2 126.4(2) . .
C1 N1 C4 105.4(3) . .
C1 N1 Lu2 139.6(2) . .
C4 N1 Lu2 114.98(19) . .
C1 N1 Lu1 77.29(17) . .
C4 N1 Lu1 76.08(16) . .
Lu2 N1 Lu1 111.96(9) . .
C11 N2 C10 117.8(3) . .
C11 N2 Lu2 115.6(2) . .
C10 N2 Lu2 126.3(2) . .
C4 C3 C2 105.8(3) . .
C4 C3 Lu1 70.21(16) . .
C2 C3 Lu1 75.66(18) . .
C4 C3 H3 127.1 . .
C2 C3 H3 127.1 . .
Lu1 C3 H3 119.1 . .
N1 C1 C2 111.1(3) . .
N1 C1 Lu1 72.67(16) . .
C2 C1 Lu1 79.48(19) . .
N1 C1 H1 124.5 . .
C2 C1 H1 124.5 . .
Lu1 C1 H1 115.1 . .
C12 N4 C15 105.3(3) . .
C12 N4 Lu2 140.3(2) . .
C15 N4 Lu2 114.2(2) . .
N3 C5 C4 120.7(3) . 7
N3 C5 H5 119.7 . .
C4 C5 H5 119.7 7 .
Si1 C16 Lu1 132.0(2) . .
Si1 C16 H16A 104.2 . .
Lu1 C16 H16A 104.2 . .
Si1 C16 H16B 104.2 . .
Lu1 C16 H16B 104.2 . .
H16A C16 H16B 105.5 . .
N3 C6 C7 113.9(3) . .
N3 C6 H6A 108.8 . .
C7 C6 H6A 108.8 . .
N3 C6 H6B 108.8 . .
C7 C6 H6B 108.8 . .
H6A C6 H6B 107.7 . .
N2 C10 C7 112.4(3) . .
N2 C10 H10A 109.1 . .
C7 C10 H10A 109.1 . .
N2 C10 H10B 109.1 . .
C7 C10 H10B 109.1 . .
H10A C10 H10B 107.9 . .
C8 C7 C6 110.4(3) . .
C8 C7 C9 108.9(3) . .
C6 C7 C9 107.4(3) . .
C8 C7 C10 111.6(3) . .
C6 C7 C10 111.4(3) . .
C9 C7 C10 107.0(3) . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C1 C2 C3 106.6(3) . .
C1 C2 Lu1 70.79(17) . .
C3 C2 Lu1 74.88(18) . .
C1 C2 H2 126.7 . .
C3 C2 H2 126.7 . .
Lu1 C2 H2 119.6 . .
Si1 C17 H17A 109.5 . .
Si1 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
Si1 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
Si1 C19 H19A 109.5 . .
Si1 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
Si1 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
Si1 C18 H18A 109.5 . .
Si1 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
Si1 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N2 C11 C15 121.2(3) . 7
N2 C11 H11 119.4 . .
C15 C11 H11 119.4 7 .
N4 C12 C13 111.5(4) . .
N4 C12 H12 124.2 . .
C13 C12 H12 124.2 . .
N4 C15 C14 110.4(4) . .
N4 C15 C11 118.5(3) . 7
C14 C15 C11 130.9(4) . 7
C13 C14 C15 106.4(3) . .
C13 C14 H14 126.8 . .
C15 C14 H14 126.8 . .
C14 C13 C12 106.3(3) . .
C14 C13 H13 126.9 . .
C12 C13 H13 126.9 . .
N1 C4 C3 111.1(3) . .
N1 C4 C5 119.1(3) . 7
C3 C4 C5 129.8(3) . 7
N1 C4 Lu1 73.35(16) . .
C3 C4 Lu1 79.91(18) . .
C5 C4 Lu1 114.7(2) 7 .
C21 C20 C21 119.3(5) . 8_665
C21 C20 H20 120.3 . .
C21 C20 H20 120.3 8_665 .
C22 C21 C20 119.6(5) . .
C22 C21 H21 120.2 . .
C20 C21 H21 120.2 . .
C22 C23 C22 118.8(5) . 8_665
C22 C23 C24 120.6(3) . .
C22 C23 C24 120.6(3) 8_665 .
C21 C22 C23 121.3(5) . .
C21 C22 H22 119.3 . .
C23 C22 H22 119.3 . .
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 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Lu1 C16 2.312(4) 7
Lu1 C16 2.312(4) .
Lu1 N1 2.593(2) 7
Lu1 N1 2.593(2) .
Lu1 C4 2.627(3) .
Lu1 C4 2.627(3) 7
Lu1 C1 2.650(3) 7
Lu1 C1 2.650(3) .
Lu1 C3 2.749(3) .
Lu1 C3 2.749(3) 7
Lu1 C2 2.759(3) 7
Lu1 C2 2.759(3) .
Lu2 N4 2.389(3) 7
Lu2 N4 2.389(3) .
Lu2 N2 2.416(3) 7
Lu2 N2 2.416(3) .
Lu2 N1 2.448(3) .
Lu2 N1 2.448(3) 7
Lu2 N3 2.483(3) 7
Lu2 N3 2.483(3) .
Si1 C16 1.836(4) .
Si1 C17 1.861(4) .
Si1 C18 1.878(4) .
Si1 C19 1.887(5) .
N3 C5 1.279(4) .
N3 C6 1.479(4) .
N1 C1 1.360(4) .
N1 C4 1.376(4) .
N2 C11 1.280(4) .
N2 C10 1.456(4) .
C3 C4 1.391(5) .
C3 C2 1.400(5) .
C3 H3 0.9300 .
C1 C2 1.391(5) .
C1 H1 0.9300 .
N4 C12 1.349(4) .
N4 C15 1.377(4) .
C5 C4 1.462(5) 7
C5 H5 0.9300 .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C6 C7 1.529(5) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C10 C7 1.538(5) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C7 C8 1.519(5) .
C7 C9 1.533(5) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C2 H2 0.9300 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C11 C15 1.423(5) 7
C11 H11 0.9300 .
C12 C13 1.394(5) .
C12 H12 0.9300 .
C15 C14 1.398(5) .
C15 C11 1.423(5) 7
C14 C13 1.382(6) .
C14 H14 0.9300 .
C13 H13 0.9300 .
C4 C5 1.462(5) 7
C20 C21 1.390(5) .
C20 C21 1.390(5) 8_665
C20 H20 0.9300 .
C21 C22 1.371(5) .
C21 H21 0.9300 .
C23 C22 1.374(5) .
C23 C22 1.374(5) 8_665
C23 C24 1.514(8) .
C22 H22 0.9300 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
