#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/47/4324714.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_4324714
loop_
_publ_author_name
'Fubin Han'
'Qiaoqiao Teng'
'Yong Zhang'
'Yaorong Wang'
'Qi Shen'
_publ_contact_author_email       qshen@suda.edu.cn
_publ_contact_author_fax         86-512-65880305
_publ_contact_author_name        'Dr. Qi Shen'
_publ_contact_author_phone       86-512-65880306
_publ_section_title
;
 Influence of Schiff Base and Lanthanide Metals on the Synthesis,
 Stability, and Reactivity of Monoamido Lanthanide Complexes Bearing Two
 Schiff Bases
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2634
_journal_page_last               2643
_journal_paper_doi               10.1021/ic102529d
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C54 H72 La N5 O2 Si2, 0.5(C4 H8 O)'
_chemical_formula_sum            'C56 H76 La N5 O2.5 Si2'
_chemical_formula_weight         1054.31
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.522(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.429(2)
_cell_length_b                   24.942(4)
_cell_length_c                   17.499(3)
_cell_measurement_reflns_used    19089
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     5698.8(16)
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.1244
_diffrn_reflns_av_sigmaI/netI    0.1683
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            28858
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    0.835
_exptl_absorpt_correction_T_max  0.936
_exptl_absorpt_correction_T_min  0.499
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.229
_exptl_crystal_description       prism
_exptl_crystal_F_000             2208
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.051
_refine_diff_density_min         -1.091
_refine_diff_density_rms         0.153
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     612
_refine_ls_number_reflns         10588
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.2076
_refine_ls_R_factor_gt           0.1277
_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)+(0.1494P)²+13.9916P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2828
_refine_ls_wR_factor_ref         0.3399
_reflns_number_gt                5740
_reflns_number_total             10588
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic102529d_si_001_03.cif
_cod_data_source_block           complex3
_cod_original_cell_volume        5698.3(15)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C56 H76 La N5 O2.50 Si2'
_cod_database_code               4324714
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
La1 La 0.91520(6) 0.69411(3) 0.79574(4) 0.0407(3) Uani 1 1 d .
Si1 Si 0.7559(3) 0.57474(15) 0.7569(2) 0.0544(10) Uani 1 1 d .
Si2 Si 0.9564(3) 0.56586(15) 0.7103(3) 0.0565(11) Uani 1 1 d .
O1 O 1.0919(7) 0.7020(3) 0.8232(5) 0.046(2) Uani 1 1 d .
O2 O 0.7707(6) 0.7457(3) 0.7987(5) 0.045(2) Uani 1 1 d .
N1 N 0.9692(8) 0.7864(4) 0.7468(6) 0.042(2) Uani 1 1 d .
N2 N 0.8476(8) 0.7231(4) 0.6405(6) 0.047(3) Uani 1 1 d .
N3 N 0.9485(8) 0.7582(4) 0.9180(6) 0.042(2) Uani 1 1 d .
N4 N 0.9730(9) 0.6520(4) 0.9460(7) 0.051(3) Uani 1 1 d .
N5 N 0.8702(8) 0.6012(4) 0.7483(6) 0.049(3) Uani 1 1 d .
C1 C 1.1650(10) 0.7376(5) 0.8494(7) 0.043(3) Uani 1 1 d .
C2 C 1.2614(9) 0.7251(5) 0.8932(7) 0.040(3) Uani 1 1 d .
C3 C 1.3274(10) 0.7664(5) 0.9305(8) 0.050(3) Uani 1 1 d .
H3 H 1.3924 0.7570 0.9610 0.060 Uiso 1 1 calc R
C4 C 1.3005(11) 0.8201(5) 0.9239(7) 0.046(3) Uani 1 1 d .
C5 C 1.2105(11) 0.8340(5) 0.8750(8) 0.053(4) Uani 1 1 d .
H5 H 1.1935 0.8704 0.8670 0.063 Uiso 1 1 calc R
C6 C 1.1418(10) 0.7947(5) 0.8358(8) 0.045(3) Uani 1 1 d .
C7 C 1.0506(10) 0.8132(5) 0.7787(7) 0.045(3) Uani 1 1 d .
H7 H 1.0513 0.8493 0.7632 0.054 Uiso 1 1 calc R
C8 C 0.8971(10) 0.8114(5) 0.6855(7) 0.045(3) Uani 1 1 d .
C9 C 0.8779(10) 0.8648(6) 0.6769(8) 0.051(3) Uani 1 1 d .
H9 H 0.9118 0.8882 0.7167 0.062 Uiso 1 1 calc R
C10 C 0.8083(11) 0.8870(6) 0.6101(10) 0.066(4) Uani 1 1 d .
H10 H 0.7966 0.9242 0.6062 0.079 Uiso 1 1 calc R
C11 C 0.7592(10) 0.8534(6) 0.5520(8) 0.054(4) Uani 1 1 d .
H11 H 0.7154 0.8674 0.5064 0.065 Uiso 1 1 calc R
C12 C 0.7743(9) 0.7979(5) 0.5607(8) 0.045(3) Uani 1 1 d .
C13 C 0.7200(11) 0.7609(7) 0.5015(9) 0.058(4) Uani 1 1 d .
H13 H 0.6770 0.7737 0.4549 0.070 Uiso 1 1 calc R
C14 C 0.7319(10) 0.7087(7) 0.5143(8) 0.058(4) Uani 1 1 d .
H14 H 0.6996 0.6842 0.4756 0.069 Uiso 1 1 calc R
C15 C 0.7938(9) 0.6900(5) 0.5867(8) 0.047(3) Uani 1 1 d .
H15 H 0.7969 0.6529 0.5968 0.057 Uiso 1 1 calc R
C16 C 0.8401(9) 0.7770(5) 0.6274(7) 0.036(3) Uani 1 1 d .
C17 C 1.3037(10) 0.6675(5) 0.8958(8) 0.047(3) Uani 1 1 d .
C18 C 1.4144(9) 0.6655(6) 0.9411(9) 0.056(4) Uani 1 1 d .
H18A H 1.4385 0.6287 0.9440 0.085 Uiso 1 1 calc R
H18B H 1.4199 0.6792 0.9938 0.085 Uiso 1 1 calc R
H18C H 1.4558 0.6873 0.9146 0.085 Uiso 1 1 calc R
C19 C 1.2935(12) 0.6487(6) 0.8122(9) 0.064(4) Uani 1 1 d .
H19A H 1.3245 0.6749 0.7839 0.096 Uiso 1 1 calc R
H19B H 1.2216 0.6447 0.7867 0.096 Uiso 1 1 calc R
H19C H 1.3280 0.6145 0.8125 0.096 Uiso 1 1 calc R
C20 C 1.2389(12) 0.6312(6) 0.9375(11) 0.069(5) Uani 1 1 d .
H20A H 1.1686 0.6304 0.9069 0.104 Uiso 1 1 calc R
H20B H 1.2408 0.6453 0.9894 0.104 Uiso 1 1 calc R
H20C H 1.2667 0.5951 0.9420 0.104 Uiso 1 1 calc R
C21 C 1.3725(11) 0.8625(6) 0.9734(10) 0.060(4) Uani 1 1 d .
C22 C 1.4817(11) 0.8519(6) 0.9685(9) 0.063(4) Uani 1 1 d .
H22A H 1.5260 0.8797 0.9966 0.095 Uiso 1 1 calc R
H22B H 1.4857 0.8519 0.9138 0.095 Uiso 1 1 calc R
H22C H 1.5036 0.8173 0.9918 0.095 Uiso 1 1 calc R
C23 C 1.3624(12) 0.8602(6) 1.0577(9) 0.067(4) Uani 1 1 d .
H23A H 1.3618 0.8231 1.0741 0.101 Uiso 1 1 calc R
H23B H 1.2991 0.8775 1.0617 0.101 Uiso 1 1 calc R
H23C H 1.4200 0.8786 1.0913 0.101 Uiso 1 1 calc R
C24 C 1.3462(12) 0.9206(5) 0.9411(10) 0.068(5) Uani 1 1 d .
H24A H 1.2741 0.9277 0.9367 0.102 Uiso 1 1 calc R
H24B H 1.3614 0.9239 0.8898 0.102 Uiso 1 1 calc R
H24C H 1.3869 0.9463 0.9769 0.102 Uiso 1 1 calc R
C25 C 0.7498(9) 0.7964(4) 0.8126(7) 0.037(3) Uani 1 1 d .
C26 C 0.6520(10) 0.8203(5) 0.7772(7) 0.041(3) Uani 1 1 d .
C27 C 0.6399(10) 0.8744(5) 0.7884(8) 0.049(3) Uani 1 1 d .
H27 H 0.5777 0.8903 0.7623 0.058 Uiso 1 1 calc R
C28 C 0.7135(11) 0.9073(5) 0.8360(8) 0.050(3) Uani 1 1 d .
C29 C 0.8019(10) 0.8830(5) 0.8729(8) 0.044(3) Uani 1 1 d .
H29 H 0.8520 0.9038 0.9066 0.053 Uiso 1 1 calc R
C30 C 0.8234(10) 0.8285(5) 0.8639(7) 0.043(3) Uani 1 1 d .
C31 C 0.9120(9) 0.8062(5) 0.9199(7) 0.041(3) Uani 1 1 d .
H31 H 0.9455 0.8287 0.9610 0.049 Uiso 1 1 calc R
C32 C 1.0239(9) 0.7413(5) 0.9865(7) 0.043(3) Uani 1 1 d .
C33 C 1.0887(9) 0.7765(6) 1.0358(8) 0.049(3) Uani 1 1 d .
H33 H 1.0880 0.8132 1.0236 0.058 Uiso 1 1 calc R
C34 C 1.1559(11) 0.7568(6) 1.1046(8) 0.057(4) Uani 1 1 d .
H34 H 1.2012 0.7806 1.1371 0.068 Uiso 1 1 calc R
C35 C 1.1565(10) 0.7031(6) 1.1252(8) 0.058(4) Uani 1 1 d .
H35 H 1.1977 0.6910 1.1732 0.069 Uiso 1 1 calc R
C36 C 1.0921(11) 0.6660(6) 1.0713(8) 0.052(4) Uani 1 1 d .
C37 C 1.0926(11) 0.6116(6) 1.0851(8) 0.056(4) Uani 1 1 d .
H37 H 1.1320 0.5977 1.1325 0.067 Uiso 1 1 calc R
C38 C 1.0374(14) 0.5783(6) 1.0315(10) 0.073(5) Uani 1 1 d .
H38 H 1.0387 0.5411 1.0403 0.088 Uiso 1 1 calc R
C39 C 0.9771(12) 0.6003(5) 0.9612(9) 0.056(4) Uani 1 1 d .
H39 H 0.9382 0.5769 0.9237 0.067 Uiso 1 1 calc R
C40 C 1.0289(10) 0.6869(5) 1.0028(7) 0.043(3) Uani 1 1 d .
C41 C 0.5615(9) 0.7856(5) 0.7327(7) 0.043(3) Uani 1 1 d .
C42 C 0.4677(12) 0.8201(7) 0.7026(9) 0.073(5) Uani 1 1 d .
H42A H 0.4104 0.7976 0.6776 0.109 Uiso 1 1 calc R
H42B H 0.4816 0.8457 0.6646 0.109 Uiso 1 1 calc R
H42C H 0.4509 0.8392 0.7462 0.109 Uiso 1 1 calc R
C43 C 0.5370(10) 0.7421(6) 0.7840(8) 0.056(4) Uani 1 1 d .
H43A H 0.5088 0.7577 0.8251 0.084 Uiso 1 1 calc R
H43B H 0.5990 0.7225 0.8075 0.084 Uiso 1 1 calc R
H43C H 0.4874 0.7178 0.7527 0.084 Uiso 1 1 calc R
C44 C 0.5846(11) 0.7602(7) 0.6575(9) 0.069(4) Uani 1 1 d .
H44A H 0.6444 0.7373 0.6721 0.104 Uiso 1 1 calc R
H44B H 0.5976 0.7884 0.6228 0.104 Uiso 1 1 calc R
H44C H 0.5262 0.7391 0.6306 0.104 Uiso 1 1 calc R
C45 C 0.6896(11) 0.9684(5) 0.8456(8) 0.052(3) Uani 1 1 d .
C46 C 0.6601(17) 0.9928(7) 0.7646(12) 0.102(7) Uani 1 1 d .
H46A H 0.6035 0.9729 0.7326 0.153 Uiso 1 1 calc R
H46B H 0.7182 0.9916 0.7405 0.153 Uiso 1 1 calc R
H46C H 0.6396 1.0298 0.7687 0.153 Uiso 1 1 calc R
C47 C 0.6001(14) 0.9748(6) 0.8796(13) 0.092(6) Uani 1 1 d .
H47A H 0.5841 1.0126 0.8819 0.138 Uiso 1 1 calc R
H47B H 0.6152 0.9598 0.9322 0.138 Uiso 1 1 calc R
H47C H 0.5420 0.9562 0.8471 0.138 Uiso 1 1 calc R
C48 C 0.7794(12) 0.9974(6) 0.8966(12) 0.082(6) Uani 1 1 d .
H48A H 0.7639 1.0353 0.8976 0.123 Uiso 1 1 calc R
H48B H 0.8394 0.9924 0.8754 0.123 Uiso 1 1 calc R
H48C H 0.7928 0.9831 0.9495 0.123 Uiso 1 1 calc R
C49 C 1.0342(11) 0.6131(6) 0.6666(10) 0.064(4) Uani 1 1 d .
H49A H 0.9924 0.6281 0.6186 0.095 Uiso 1 1 calc R
H49B H 1.0920 0.5942 0.6549 0.095 Uiso 1 1 calc R
H49C H 1.0590 0.6418 0.7036 0.095 Uiso 1 1 calc R
C50 C 0.8989(17) 0.5196(8) 0.6291(14) 0.113(8) Uani 1 1 d .
H50A H 0.8658 0.4901 0.6496 0.170 Uiso 1 1 calc R
H50B H 0.9522 0.5057 0.6055 0.170 Uiso 1 1 calc R
H50C H 0.8487 0.5388 0.5898 0.170 Uiso 1 1 calc R
C51 C 1.0467(13) 0.5275(8) 0.7887(10) 0.083(5) Uani 1 1 d .
H51A H 1.0798 0.5518 0.8301 0.125 Uiso 1 1 calc R
H51B H 1.0982 0.5102 0.7663 0.125 Uiso 1 1 calc R
H51C H 1.0091 0.5005 0.8102 0.125 Uiso 1 1 calc R
C52 C 0.7077(12) 0.6141(7) 0.8351(10) 0.078(5) Uani 1 1 d .
H52A H 0.7498 0.6057 0.8867 0.117 Uiso 1 1 calc R
H52B H 0.6372 0.6043 0.8329 0.117 Uiso 1 1 calc R
H52C H 0.7117 0.6522 0.8252 0.117 Uiso 1 1 calc R
C53 C 0.7566(15) 0.5036(6) 0.7889(11) 0.083(5) Uani 1 1 d .
H53A H 0.7868 0.4814 0.7548 0.125 Uiso 1 1 calc R
H53B H 0.6869 0.4919 0.7861 0.125 Uiso 1 1 calc R
H53C H 0.7966 0.5004 0.8426 0.125 Uiso 1 1 calc R
C54 C 0.6527(13) 0.5792(8) 0.6649(11) 0.096(6) Uani 1 1 d .
H54A H 0.6237 0.6150 0.6600 0.144 Uiso 1 1 calc R
H54B H 0.5996 0.5533 0.6668 0.144 Uiso 1 1 calc R
H54C H 0.6813 0.5718 0.6200 0.144 Uiso 1 1 calc R
O3 O 0.563(3) 0.5257(17) 0.024(2) 0.122(6) Uiso 0.50 1 d PD
C55 C 0.555(4) 0.487(2) -0.039(3) 0.122(6) Uiso 0.50 1 d PD
C56 C 0.448(4) 0.462(2) -0.051(3) 0.122(6) Uiso 0.50 1 d PD
C57 C 0.398(3) 0.490(2) 0.010(3) 0.122(6) Uiso 0.50 1 d PD
C58 C 0.472(4) 0.532(2) 0.057(3) 0.122(6) Uiso 0.50 1 d PD
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'
La La -0.2871 2.4523 '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 La1 O2 139.8(3) . .
O1 La1 N5 107.7(3) . .
O2 La1 N5 112.4(3) . .
O1 La1 N1 69.2(3) . .
O2 La1 N1 79.5(3) . .
N5 La1 N1 140.8(3) . .
O1 La1 N3 79.0(3) . .
O2 La1 N3 68.4(3) . .
N5 La1 N3 145.2(3) . .
N1 La1 N3 74.0(3) . .
O1 La1 N2 105.6(3) . .
O2 La1 N2 78.1(3) . .
N5 La1 N2 85.2(3) . .
N1 La1 N2 59.9(3) . .
N3 La1 N2 126.8(3) . .
O1 La1 N4 77.8(3) . .
O2 La1 N4 103.7(3) . .
N5 La1 N4 87.5(3) . .
N1 La1 N4 127.4(3) . .
N3 La1 N4 60.0(3) . .
N2 La1 N4 172.6(3) . .
N5 Si1 C53 116.9(7) . .
N5 Si1 C54 113.7(8) . .
C53 Si1 C54 105.5(9) . .
N5 Si1 C52 109.0(7) . .
C53 Si1 C52 104.6(8) . .
C54 Si1 C52 106.2(9) . .
N5 Si2 C50 114.9(8) . .
N5 Si2 C49 109.3(6) . .
C50 Si2 C49 104.7(9) . .
N5 Si2 C51 111.2(7) . .
C50 Si2 C51 109.0(10) . .
C49 Si2 C51 107.2(8) . .
C1 O1 La1 140.2(8) . .
C25 O2 La1 137.6(7) . .
C7 N1 C8 117.3(11) . .
C7 N1 La1 125.9(8) . .
C8 N1 La1 116.4(7) . .
C15 N2 C16 119.1(11) . .
C15 N2 La1 122.3(9) . .
C16 N2 La1 114.8(8) . .
C31 N3 C32 116.4(10) . .
C31 N3 La1 126.1(8) . .
C32 N3 La1 117.0(7) . .
C39 N4 C40 118.5(12) . .
C39 N4 La1 123.6(10) . .
C40 N4 La1 115.0(8) . .
Si2 N5 Si1 122.6(7) . .
Si2 N5 La1 118.5(5) . .
Si1 N5 La1 118.9(6) . .
O1 C1 C2 124.3(11) . .
O1 C1 C6 119.0(11) . .
C2 C1 C6 116.6(11) . .
C1 C2 C3 119.8(11) . .
C1 C2 C17 121.3(11) . .
C3 C2 C17 118.6(10) . .
C4 C3 C2 122.9(12) . .
C4 C3 H3 118.5 . .
C2 C3 H3 118.5 . .
C5 C4 C3 118.4(12) . .
C5 C4 C21 121.8(12) . .
C3 C4 C21 119.7(12) . .
C4 C5 C6 121.2(12) . .
C4 C5 H5 119.4 . .
C6 C5 H5 119.4 . .
C5 C6 C7 117.5(11) . .
C5 C6 C1 120.4(11) . .
C7 C6 C1 122.0(12) . .
N1 C7 C6 128.3(12) . .
N1 C7 H7 115.8 . .
C6 C7 H7 115.8 . .
C9 C8 C16 117.3(12) . .
C9 C8 N1 126.7(12) . .
C16 C8 N1 116.0(11) . .
C8 C9 C10 122.8(13) . .
C8 C9 H9 118.6 . .
C10 C9 H9 118.6 . .
C11 C10 C9 118.9(13) . .
C11 C10 H10 120.6 . .
C9 C10 H10 120.6 . .
C10 C11 C12 119.5(13) . .
C10 C11 H11 120.2 . .
C12 C11 H11 120.2 . .
C16 C12 C11 120.6(12) . .
C16 C12 C13 118.3(12) . .
C11 C12 C13 121.0(12) . .
C14 C13 C12 119.1(14) . .
C14 C13 H13 120.5 . .
C12 C13 H13 120.5 . .
C13 C14 C15 119.7(14) . .
C13 C14 H14 120.1 . .
C15 C14 H14 120.1 . .
N2 C15 C14 122.2(13) . .
N2 C15 H15 118.9 . .
C14 C15 H15 118.9 . .
N2 C16 C12 121.2(11) . .
N2 C16 C8 118.1(11) . .
C12 C16 C8 120.5(11) . .
C19 C17 C18 110.6(12) . .
C19 C17 C2 108.2(11) . .
C18 C17 C2 110.9(11) . .
C19 C17 C20 109.8(12) . .
C18 C17 C20 108.9(11) . .
C2 C17 C20 108.3(11) . .
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 . .
C23 C21 C22 111.0(13) . .
C23 C21 C4 109.4(12) . .
C22 C21 C4 109.6(12) . .
C23 C21 C24 108.8(13) . .
C22 C21 C24 106.3(13) . .
C4 C21 C24 111.8(12) . .
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 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C21 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
O2 C25 C30 120.5(10) . .
O2 C25 C26 121.6(10) . .
C30 C25 C26 118.0(10) . .
C27 C26 C25 118.0(12) . .
C27 C26 C41 120.9(12) . .
C25 C26 C41 120.9(10) . .
C26 C27 C28 124.6(12) . .
C26 C27 H27 117.7 . .
C28 C27 H27 117.7 . .
C29 C28 C27 116.0(11) . .
C29 C28 C45 124.1(12) . .
C27 C28 C45 119.9(12) . .
C28 C29 C30 124.0(12) . .
C28 C29 H29 118.0 . .
C30 C29 H29 118.0 . .
C29 C30 C25 119.1(11) . .
C29 C30 C31 116.6(11) . .
C25 C30 C31 123.2(11) . .
N3 C31 C30 125.9(11) . .
N3 C31 H31 117.0 . .
C30 C31 H31 117.0 . .
C40 C32 C33 119.9(12) . .
C40 C32 N3 116.7(11) . .
C33 C32 N3 123.4(12) . .
C32 C33 C34 119.5(13) . .
C32 C33 H33 120.2 . .
C34 C33 H33 120.2 . .
C35 C34 C33 121.4(14) . .
C35 C34 H34 119.3 . .
C33 C34 H34 119.3 . .
C34 C35 C36 118.7(12) . .
C34 C35 H35 120.6 . .
C36 C35 H35 120.6 . .
C37 C36 C40 119.7(14) . .
C37 C36 C35 122.4(13) . .
C40 C36 C35 117.8(13) . .
C38 C37 C36 120.5(13) . .
C38 C37 H37 119.7 . .
C36 C37 H37 119.7 . .
C37 C38 C39 118.6(13) . .
C37 C38 H38 120.7 . .
C39 C38 H38 120.7 . .
N4 C39 C38 122.9(14) . .
N4 C39 H39 118.5 . .
C38 C39 H39 118.5 . .
C32 C40 C36 122.3(13) . .
C32 C40 N4 118.0(11) . .
C36 C40 N4 119.5(12) . .
C43 C41 C42 109.9(12) . .
C43 C41 C26 111.2(11) . .
C42 C41 C26 110.4(11) . .
C43 C41 C44 109.2(12) . .
C42 C41 C44 104.6(11) . .
C26 C41 C44 111.5(11) . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C41 C43 H43A 109.5 . .
C41 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C41 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
C41 C44 H44A 109.5 . .
C41 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C41 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C47 C45 C48 109.0(15) . .
C47 C45 C46 106.0(15) . .
C48 C45 C46 111.1(13) . .
C47 C45 C28 110.8(12) . .
C48 C45 C28 111.9(11) . .
C46 C45 C28 107.9(13) . .
C45 C46 H46A 109.5 . .
C45 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C45 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C45 C47 H47A 109.5 . .
C45 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C45 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C45 C48 H48A 109.5 . .
C45 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C45 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
Si2 C49 H49A 109.5 . .
Si2 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
Si2 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
Si2 C50 H50A 109.5 . .
Si2 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
Si2 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
Si2 C51 H51A 109.5 . .
Si2 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
Si2 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
Si1 C52 H52A 109.5 . .
Si1 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
Si1 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
Si1 C53 H53A 109.5 . .
Si1 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
Si1 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
Si1 C54 H54A 109.5 . .
Si1 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
Si1 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C56 O3 C57 163(9) 3_665 3_665
C56 O3 C55 158(6) 3_665 .
C57 O3 C55 37(3) 3_665 .
C56 O3 C58 42(6) 3_665 .
C57 O3 C58 154(4) 3_665 .
C55 O3 C58 117(3) . .
C56 O3 C55 63(6) 3_665 3_665
C57 O3 C55 132(5) 3_665 3_665
C55 O3 C55 95(3) . 3_665
C58 O3 C55 22(2) . 3_665
C58 C55 C57 170(10) 3_665 3_665
C58 C55 O3 143(7) 3_665 .
C57 C55 O3 41(3) 3_665 .
C58 C55 C56 38(5) 3_665 .
C57 C55 C56 146(5) 3_665 .
O3 C55 C56 105(3) . .
C58 C55 O3 59(5) 3_665 3_665
C57 C55 O3 125(5) 3_665 3_665
O3 C55 O3 85(3) . 3_665
C56 C55 O3 21(2) . 3_665
C58 C55 C56 137(8) 3_665 3_665
C57 C55 C56 47(3) 3_665 3_665
O3 C55 C56 6.4(19) . 3_665
C56 C55 C56 99(3) . 3_665
O3 C55 C56 79(3) 3_665 3_665
O3 C56 C58 117(8) 3_665 3_665
O3 C56 C55 96(7) 3_665 .
C58 C56 C55 21(3) 3_665 .
O3 C56 C57 10(6) 3_665 .
C58 C56 C57 127(4) 3_665 .
C55 C56 C57 106(4) . .
O3 C56 C55 15(5) 3_665 3_665
C58 C56 C55 102(4) 3_665 3_665
C55 C56 C55 81(3) . 3_665
C57 C56 C55 25.0(19) . 3_665
C55 C57 O3 102(5) 3_665 3_665
C55 C57 C58 4(6) 3_665 .
O3 C57 C58 104(4) 3_665 .
C55 C57 C56 108(4) 3_665 .
O3 C57 C56 7(4) 3_665 .
C58 C57 C56 110(4) . .
C55 C58 C56 121(7) 3_665 3_665
C55 C58 O3 100(6) 3_665 .
C56 C58 O3 21(3) 3_665 .
C55 C58 C57 6(9) 3_665 .
C56 C58 C57 123(4) 3_665 .
O3 C58 C57 102(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O1 2.317(9) .
La1 O2 2.339(8) .
La1 N5 2.488(11) .
La1 N1 2.616(10) .
La1 N3 2.623(10) .
La1 N2 2.752(11) .
La1 N4 2.768(11) .
Si1 N5 1.710(12) .
Si1 C53 1.860(16) .
Si1 C54 1.866(17) .
Si1 C52 1.916(17) .
Si2 N5 1.708(12) .
Si2 C50 1.852(19) .
Si2 C49 1.855(15) .
Si2 C51 1.868(16) .
O1 C1 1.325(14) .
O2 C25 1.331(13) .
N1 C7 1.292(15) .
N1 C8 1.412(16) .
N2 C15 1.331(16) .
N2 C16 1.365(15) .
N3 C31 1.297(15) .
N3 C32 1.439(16) .
N4 C39 1.316(16) .
N4 C40 1.401(17) .
C1 C2 1.378(17) .
C1 C6 1.465(17) .
C2 C3 1.414(17) .
C2 C17 1.541(16) .
C3 C4 1.385(17) .
C3 H3 0.9400 .
C4 C5 1.353(18) .
C4 C21 1.552(18) .
C5 C6 1.408(18) .
C5 H5 0.9400 .
C6 C7 1.462(17) .
C7 H7 0.9400 .
C8 C9 1.359(18) .
C8 C16 1.412(17) .
C9 C10 1.426(19) .
C9 H9 0.9400 .
C10 C11 1.36(2) .
C10 H10 0.9400 .
C11 C12 1.402(19) .
C11 H11 0.9400 .
C12 C16 1.390(17) .
C12 C13 1.45(2) .
C13 C14 1.32(2) .
C13 H13 0.9400 .
C14 C15 1.422(19) .
C14 H14 0.9400 .
C15 H15 0.9400 .
C17 C19 1.511(19) .
C17 C18 1.513(16) .
C17 C20 1.552(19) .
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 C23 1.51(2) .
C21 C22 1.51(2) .
C21 C24 1.57(2) .
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 C30 1.416(17) .
C25 C26 1.442(17) .
C26 C27 1.379(17) .
C26 C41 1.546(17) .
C27 C28 1.401(18) .
C27 H27 0.9400 .
C28 C29 1.356(18) .
C28 C45 1.572(18) .
C29 C30 1.406(16) .
C29 H29 0.9400 .
C30 C31 1.463(17) .
C31 H31 0.9400 .
C32 C40 1.384(18) .
C32 C33 1.387(18) .
C33 C34 1.413(19) .
C33 H33 0.9400 .
C34 C35 1.39(2) .
C34 H34 0.9400 .
C35 C36 1.45(2) .
C35 H35 0.9400 .
C36 C37 1.38(2) .
C36 C40 1.398(18) .
C37 C38 1.34(2) .
C37 H37 0.9400 .
C38 C39 1.42(2) .
C38 H38 0.9400 .
C39 H39 0.9400 .
C41 C43 1.493(18) .
C41 C42 1.52(2) .
C41 C44 1.56(2) .
C42 H42A 0.9700 .
C42 H42B 0.9700 .
C42 H42C 0.9700 .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C43 H43C 0.9700 .
C44 H44A 0.9700 .
C44 H44B 0.9700 .
C44 H44C 0.9700 .
C45 C47 1.47(2) .
C45 C48 1.51(2) .
C45 C46 1.51(2) .
C46 H46A 0.9700 .
C46 H46B 0.9700 .
C46 H46C 0.9700 .
C47 H47A 0.9700 .
C47 H47B 0.9700 .
C47 H47C 0.9700 .
C48 H48A 0.9700 .
C48 H48B 0.9700 .
C48 H48C 0.9700 .
C49 H49A 0.9700 .
C49 H49B 0.9700 .
C49 H49C 0.9700 .
C50 H50A 0.9700 .
C50 H50B 0.9700 .
C50 H50C 0.9700 .
C51 H51A 0.9700 .
C51 H51B 0.9700 .
C51 H51C 0.9700 .
C52 H52A 0.9700 .
C52 H52B 0.9700 .
C52 H52C 0.9700 .
C53 H53A 0.9700 .
C53 H53B 0.9700 .
C53 H53C 0.9700 .
C54 H54A 0.9700 .
C54 H54B 0.9700 .
C54 H54C 0.9700 .
O3 C56 0.60(5) 3_665
O3 C57 0.96(5) 3_665
O3 C55 1.444(19) .
O3 C58 1.478(19) .
O3 C55 1.71(6) 3_665
C55 C58 0.64(5) 3_665
C55 C57 0.90(5) 3_665
C55 C56 1.53(2) .
C55 O3 1.71(6) 3_665
C55 C56 2.02(6) 3_665
C56 O3 0.60(5) 3_665
C56 C58 1.11(6) 3_665
C56 C57 1.55(2) .
C56 C55 2.02(6) 3_665
C57 C55 0.90(5) 3_665
C57 O3 0.96(5) 3_665
C57 C58 1.53(2) .
C58 C55 0.64(5) 3_665
C58 C56 1.11(6) 3_665
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
O2 La1 O1 C1 0.7(14) . .
N5 La1 O1 C1 -179.6(12) . .
N1 La1 O1 C1 42.0(12) . .
N3 La1 O1 C1 -34.9(12) . .
N2 La1 O1 C1 90.5(12) . .
N4 La1 O1 C1 -96.2(12) . .
O1 La1 O2 C25 5.7(13) . .
N5 La1 O2 C25 -174.0(11) . .
N1 La1 O2 C25 -33.1(11) . .
N3 La1 O2 C25 43.6(11) . .
N2 La1 O2 C25 -94.3(11) . .
N4 La1 O2 C25 93.0(11) . .
O1 La1 N1 C7 -31.3(10) . .
O2 La1 N1 C7 123.0(11) . .
N5 La1 N1 C7 -124.2(10) . .
N3 La1 N1 C7 52.7(10) . .
N2 La1 N1 C7 -154.8(12) . .
N4 La1 N1 C7 23.7(12) . .
O1 La1 N1 C8 156.1(9) . .
O2 La1 N1 C8 -49.6(8) . .
N5 La1 N1 C8 63.2(10) . .
N3 La1 N1 C8 -119.9(9) . .
N2 La1 N1 C8 32.6(8) . .
N4 La1 N1 C8 -149.0(8) . .
O1 La1 N2 C15 120.6(9) . .
O2 La1 N2 C15 -100.6(10) . .
N5 La1 N2 C15 13.5(10) . .
N1 La1 N2 C15 174.7(11) . .
N3 La1 N2 C15 -151.6(9) . .
N4 La1 N2 C15 4(3) . .
O1 La1 N2 C16 -81.5(9) . .
O2 La1 N2 C16 57.3(8) . .
N5 La1 N2 C16 171.4(9) . .
N1 La1 N2 C16 -27.5(8) . .
N3 La1 N2 C16 6.2(10) . .
N4 La1 N2 C16 162(2) . .
O1 La1 N3 C31 120.7(10) . .
O2 La1 N3 C31 -35.5(10) . .
N5 La1 N3 C31 -134.0(10) . .
N1 La1 N3 C31 49.4(10) . .
N2 La1 N3 C31 19.4(11) . .
N4 La1 N3 C31 -157.1(11) . .
O1 La1 N3 C32 -51.2(8) . .
O2 La1 N3 C32 152.6(9) . .
N5 La1 N3 C32 54.1(11) . .
N1 La1 N3 C32 -122.5(9) . .
N2 La1 N3 C32 -152.5(8) . .
N4 La1 N3 C32 31.0(8) . .
O1 La1 N4 C39 -101.7(12) . .
O2 La1 N4 C39 119.5(11) . .
N5 La1 N4 C39 7.0(11) . .
N1 La1 N4 C39 -153.3(11) . .
N3 La1 N4 C39 174.1(13) . .
N2 La1 N4 C39 16(3) . .
O1 La1 N4 C40 58.5(8) . .
O2 La1 N4 C40 -80.3(9) . .
N5 La1 N4 C40 167.2(9) . .
N1 La1 N4 C40 6.9(10) . .
N3 La1 N4 C40 -25.7(8) . .
N2 La1 N4 C40 176(2) . .
C50 Si2 N5 Si1 35.5(12) . .
C49 Si2 N5 Si1 152.9(8) . .
C51 Si2 N5 Si1 -88.9(10) . .
C50 Si2 N5 La1 -145.9(9) . .
C49 Si2 N5 La1 -28.5(8) . .
C51 Si2 N5 La1 89.6(9) . .
C53 Si1 N5 Si2 40.0(11) . .
C54 Si1 N5 Si2 -83.5(10) . .
C52 Si1 N5 Si2 158.3(8) . .
C53 Si1 N5 La1 -138.6(8) . .
C54 Si1 N5 La1 97.9(9) . .
C52 Si1 N5 La1 -20.3(9) . .
O1 La1 N5 Si2 -22.2(7) . .
O2 La1 N5 Si2 157.6(5) . .
N1 La1 N5 Si2 56.4(8) . .
N3 La1 N5 Si2 -118.4(7) . .
N2 La1 N5 Si2 82.6(6) . .
N4 La1 N5 Si2 -98.5(6) . .
O1 La1 N5 Si1 156.5(5) . .
O2 La1 N5 Si1 -23.7(7) . .
N1 La1 N5 Si1 -125.0(6) . .
N3 La1 N5 Si1 60.3(9) . .
N2 La1 N5 Si1 -98.7(6) . .
N4 La1 N5 Si1 80.1(6) . .
La1 O1 C1 C2 147.7(10) . .
La1 O1 C1 C6 -28.3(19) . .
O1 C1 C2 C3 -168.4(12) . .
C6 C1 C2 C3 7.7(18) . .
O1 C1 C2 C17 18.1(19) . .
C6 C1 C2 C17 -165.8(12) . .
C1 C2 C3 C4 -1(2) . .
C17 C2 C3 C4 172.4(13) . .
C2 C3 C4 C5 -5(2) . .
C2 C3 C4 C21 173.7(13) . .
C3 C4 C5 C6 5(2) . .
C21 C4 C5 C6 -174.3(13) . .
C4 C5 C6 C7 -174.6(13) . .
C4 C5 C6 C1 2(2) . .
O1 C1 C6 C5 168.1(12) . .
C2 C1 C6 C5 -8.2(19) . .
O1 C1 C6 C7 -15.4(19) . .
C2 C1 C6 C7 168.3(12) . .
C8 N1 C7 C6 -172.0(13) . .
La1 N1 C7 C6 15(2) . .
C5 C6 C7 N1 -166.2(14) . .
C1 C6 C7 N1 17(2) . .
C7 N1 C8 C9 -30(2) . .
La1 N1 C8 C9 142.9(12) . .
C7 N1 C8 C16 149.3(12) . .
La1 N1 C8 C16 -37.5(13) . .
C16 C8 C9 C10 -4(2) . .
N1 C8 C9 C10 175.6(13) . .
C8 C9 C10 C11 0(2) . .
C9 C10 C11 C12 3(2) . .
C10 C11 C12 C16 -1(2) . .
C10 C11 C12 C13 177.4(13) . .
C16 C12 C13 C14 2.4(19) . .
C11 C12 C13 C14 -176.0(13) . .
C12 C13 C14 C15 3(2) . .
C16 N2 C15 C14 2.6(19) . .
La1 N2 C15 C14 159.6(10) . .
C13 C14 C15 N2 -5(2) . .
C15 N2 C16 C12 2.8(18) . .
La1 N2 C16 C12 -155.8(9) . .
C15 N2 C16 C8 179.5(11) . .
La1 N2 C16 C8 20.9(14) . .
C11 C12 C16 N2 173.1(12) . .
C13 C12 C16 N2 -5.3(18) . .
C11 C12 C16 C8 -3.5(18) . .
C13 C12 C16 C8 178.1(12) . .
C9 C8 C16 N2 -170.8(12) . .
N1 C8 C16 N2 9.5(17) . .
C9 C8 C16 C12 5.9(18) . .
N1 C8 C16 C12 -173.8(11) . .
C1 C2 C17 C19 52.7(16) . .
C3 C2 C17 C19 -120.8(13) . .
C1 C2 C17 C18 174.2(12) . .
C3 C2 C17 C18 0.7(17) . .
C1 C2 C17 C20 -66.3(16) . .
C3 C2 C17 C20 120.1(13) . .
C5 C4 C21 C23 103.1(16) . .
C3 C4 C21 C23 -75.9(17) . .
C5 C4 C21 C22 -135.1(15) . .
C3 C4 C21 C22 46.0(19) . .
C5 C4 C21 C24 -17(2) . .
C3 C4 C21 C24 163.6(13) . .
La1 O2 C25 C30 -28.6(18) . .
La1 O2 C25 C26 152.0(9) . .
O2 C25 C26 C27 -173.7(12) . .
C30 C25 C26 C27 6.9(18) . .
O2 C25 C26 C41 10.2(18) . .
C30 C25 C26 C41 -169.1(12) . .
C25 C26 C27 C28 -4(2) . .
C41 C26 C27 C28 171.8(12) . .
C26 C27 C28 C29 0(2) . .
C26 C27 C28 C45 -178.6(13) . .
C27 C28 C29 C30 2(2) . .
C45 C28 C29 C30 -179.6(13) . .
C28 C29 C30 C25 1(2) . .
C28 C29 C30 C31 -167.6(13) . .
O2 C25 C30 C29 175.3(12) . .
C26 C25 C30 C29 -5.3(18) . .
O2 C25 C30 C31 -17.1(19) . .
C26 C25 C30 C31 162.2(12) . .
C32 N3 C31 C30 -168.9(12) . .
La1 N3 C31 C30 19.2(18) . .
C29 C30 C31 N3 -174.7(13) . .
C25 C30 C31 N3 17(2) . .
C31 N3 C32 C40 150.9(12) . .
La1 N3 C32 C40 -36.4(13) . .
C31 N3 C32 C33 -28.1(17) . .
La1 N3 C32 C33 144.6(10) . .
C40 C32 C33 C34 -3.1(19) . .
N3 C32 C33 C34 175.9(12) . .
C32 C33 C34 C35 -2(2) . .
C33 C34 C35 C36 5(2) . .
C34 C35 C36 C37 176.1(14) . .
C34 C35 C36 C40 -3(2) . .
C40 C36 C37 C38 4(2) . .
C35 C36 C37 C38 -175.5(15) . .
C36 C37 C38 C39 -1(2) . .
C40 N4 C39 C38 -2(2) . .
La1 N4 C39 C38 157.9(12) . .
C37 C38 C39 N4 0(3) . .
C33 C32 C40 C36 5.0(19) . .
N3 C32 C40 C36 -174.0(11) . .
C33 C32 C40 N4 -171.0(12) . .
N3 C32 C40 N4 9.9(17) . .
C37 C36 C40 C32 178.9(13) . .
C35 C36 C40 C32 -2(2) . .
C37 C36 C40 N4 -5(2) . .
C35 C36 C40 N4 174.1(12) . .
C39 N4 C40 C32 -179.8(13) . .
La1 N4 C40 C32 19.0(14) . .
C39 N4 C40 C36 4.1(19) . .
La1 N4 C40 C36 -157.2(10) . .
C27 C26 C41 C43 -119.2(14) . .
C25 C26 C41 C43 56.8(16) . .
C27 C26 C41 C42 3.0(18) . .
C25 C26 C41 C42 179.0(12) . .
C27 C26 C41 C44 118.8(14) . .
C25 C26 C41 C44 -65.3(16) . .
C29 C28 C45 C47 -118.1(17) . .
C27 C28 C45 C47 60.2(18) . .
C29 C28 C45 C48 4(2) . .
C27 C28 C45 C48 -178.0(14) . .
C29 C28 C45 C46 126.3(16) . .
C27 C28 C45 C46 -55.5(18) . .
C56 O3 C55 C58 -1(39) 3_665 3_665
C57 O3 C55 C58 166(26) 3_665 3_665
C58 O3 C55 C58 -11(24) . 3_665
C55 O3 C55 C58 -8(18) 3_665 3_665
C56 O3 C55 C57 -166(34) 3_665 3_665
C58 O3 C55 C57 -176(9) . 3_665
C55 O3 C55 C57 -174(11) 3_665 3_665
C56 O3 C55 C56 9(34) 3_665 .
C57 O3 C55 C56 175(10) 3_665 .
C58 O3 C55 C56 -1(8) . .
C55 O3 C55 C56 1(4) 3_665 .
C56 O3 C55 O3 8(29) 3_665 3_665
C57 O3 C55 O3 174(11) 3_665 3_665
C58 O3 C55 O3 -2(5) . 3_665
C55 O3 C55 O3 0.000(5) 3_665 3_665
C57 O3 C55 C56 166(34) 3_665 3_665
C58 O3 C55 C56 -10(28) . 3_665
C55 O3 C55 C56 -8(29) 3_665 3_665
C58 C55 C56 O3 168(21) 3_665 3_665
C57 C55 C56 O3 2(18) 3_665 3_665
O3 C55 C56 O3 -3(13) . 3_665
C56 C55 C56 O3 -2(9) 3_665 3_665
C57 C55 C56 C58 -165(27) 3_665 3_665
O3 C55 C56 C58 -171(17) . 3_665
O3 C55 C56 C58 -168(21) 3_665 3_665
C56 C55 C56 C58 -170(17) 3_665 3_665
C58 C55 C56 C57 171(15) 3_665 .
C57 C55 C56 C57 6(17) 3_665 .
O3 C55 C56 C57 1(7) . .
O3 C55 C56 C57 4(8) 3_665 .
C56 C55 C56 C57 2(4) 3_665 .
C58 C55 C56 C55 170(17) 3_665 3_665
C57 C55 C56 C55 5(13) 3_665 3_665
O3 C55 C56 C55 -1(4) . 3_665
O3 C55 C56 C55 2(9) 3_665 3_665
C56 C55 C56 C55 0.000(3) 3_665 3_665
C58 C56 C57 C55 0(10) 3_665 3_665
C55 C56 C57 C55 -4(10) . 3_665
C58 C56 C57 C58 4(11) 3_665 .
C55 C56 C57 C58 0(6) . .
C55 C56 C57 C58 4(7) 3_665 .
C56 O3 C58 C55 -168(20) 3_665 3_665
C57 O3 C58 C55 2(19) 3_665 3_665
C55 O3 C58 C55 7(15) . 3_665
C57 O3 C58 C56 169(25) 3_665 3_665
C55 O3 C58 C56 174(16) . 3_665
C55 O3 C58 C56 168(20) 3_665 3_665
C56 O3 C58 C57 -173(15) 3_665 .
C57 O3 C58 C57 -4(17) 3_665 .
C55 O3 C58 C57 1(7) . .
C55 O3 C58 C57 -5(9) 3_665 .
O3 C57 C58 C56 -1(9) 3_665 3_665
C56 C57 C58 C56 -4(10) . 3_665
O3 C57 C58 O3 2(8) 3_665 .
C56 C57 C58 O3 -1(5) . .
