# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1444538'
loop_
_audit_author_name
_audit_author_address
'Yu Shen'
;Nanjing Tech University
China
;
_audit_update_record             
;
2022-02-23 deposited with the CCDC.	2022-06-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C33 H39 La N4 O9'
_chemical_formula_sum            'C33 H39 La N4 O9'
_chemical_formula_weight         774.59

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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   26.011(5)
_cell_length_b                   8.8798(16)
_cell_length_c                   29.636(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6845(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    46524
_cell_measurement_theta_min      1.58
_cell_measurement_theta_max      28.27

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_F_000             3152
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    1.306
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            46524
_diffrn_reflns_av_unetI/netI     0.0336
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.582
_diffrn_reflns_theta_max         28.269
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             8464
_reflns_number_gt                5974
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0300P)²+1.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8464
_refine_ls_number_parameters     461
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0544
_refine_ls_R_factor_gt           0.0285
_refine_ls_wR_factor_ref         0.0696
_refine_ls_wR_factor_gt          0.0612
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
La1 La 0.07010(2) 1.65748(2) -0.12123(2) 0.02506(5) Uani 1 1 d . . . . .
C5 C -0.20783(9) 1.6762(3) -0.12427(7) 0.0280(5) Uani 1 1 d . . . . .
C1 C -0.04214(9) 1.6782(3) -0.12335(8) 0.0315(6) Uani 1 1 d . . . . .
O2 O -0.01899(6) 1.6390(2) -0.15895(6) 0.0396(5) Uani 1 1 d . . . . .
O1 O -0.01860(6) 1.7161(2) -0.08802(6) 0.0406(5) Uani 1 1 d . . . . .
N1 N -0.26197(8) 1.6730(3) -0.12512(6) 0.0363(5) Uani 1 1 d . . . . .
C2 C -0.09985(9) 1.6776(3) -0.12346(8) 0.0309(6) Uani 1 1 d . . . . .
C12 C -0.28939(9) 1.6714(3) -0.16689(8) 0.0316(6) Uani 1 1 d . . . . .
C7 C -0.12764(9) 1.7349(3) -0.08718(8) 0.0340(6) Uani 1 1 d . . . . .
H12A H -0.1103 1.7734 -0.0623 0.041 Uiso 1 1 calc R U . . .
C3 C -0.12673(9) 1.6193(3) -0.15958(8) 0.0343(6) Uani 1 1 d . . . . .
H13A H -0.1087 1.5796 -0.1839 0.041 Uiso 1 1 calc R U . . .
C19 C -0.29122(9) 1.6927(3) -0.08458(8) 0.0312(6) Uani 1 1 d . . . . .
C18 C -0.32925(10) 1.8006(3) -0.08264(8) 0.0352(6) Uani 1 1 d . . . . .
H21A H -0.3356 1.8611 -0.1076 0.042 Uiso 1 1 calc R U . . .
C17 C -0.35804(10) 1.8197(3) -0.04388(8) 0.0354(6) Uani 1 1 d . . . . .
H23A H -0.3833 1.8937 -0.0429 0.042 Uiso 1 1 calc R U . . .
C6 C -0.18075(9) 1.7352(3) -0.08770(8) 0.0331(6) Uani 1 1 d . . . . .
H28A H -0.1987 1.7753 -0.0633 0.040 Uiso 1 1 calc R U . . .
C16 C -0.34960(9) 1.7299(3) -0.00644(8) 0.0316(6) Uani 1 1 d . . . . .
C20 C -0.28243(10) 1.6016(3) -0.04722(8) 0.0357(6) Uani 1 1 d . . . . .
H32A H -0.2571 1.5278 -0.0481 0.043 Uiso 1 1 calc R U . . .
C21 C -0.31165(10) 1.6213(3) -0.00862(8) 0.0359(6) Uani 1 1 d . . . . .
H34A H -0.3056 1.5603 0.0163 0.043 Uiso 1 1 calc R U . . .
C4 C -0.17993(9) 1.6187(3) -0.16034(8) 0.0347(6) Uani 1 1 d . . . . .
H37A H -0.1971 1.5794 -0.1852 0.042 Uiso 1 1 calc R U . . .
C13 C -0.33033(10) 1.5727(3) -0.17265(8) 0.0369(6) Uani 1 1 d . . . . .
H11A H -0.3396 1.5077 -0.1494 0.044 Uiso 1 1 calc R U . . .
C11 C -0.27633(10) 1.7682(3) -0.20175(8) 0.0368(6) Uani 1 1 d . . . . .
H11B H -0.2490 1.8348 -0.1983 0.044 Uiso 1 1 calc R U . . .
C14 C -0.35729(10) 1.5713(3) -0.21283(8) 0.0371(6) Uani 1 1 d . . . . .
H11C H -0.3845 1.5045 -0.2164 0.045 Uiso 1 1 calc R U . . .
C10 C -0.30380(10) 1.7660(3) -0.24155(8) 0.0369(6) Uani 1 1 d . . . . .
H11D H -0.2948 1.8319 -0.2646 0.044 Uiso 1 1 calc R U . . .
O6 O -0.37066(8) 1.6763(2) 0.07005(6) 0.0504(6) Uani 1 1 d . . . . .
O5 O -0.41568(7) 1.8506(3) 0.03537(6) 0.0479(5) Uani 1 1 d . . . . .
C8 C -0.37315(10) 1.6650(3) -0.29186(8) 0.0344(6) Uani 1 1 d . . . . .
C9 C -0.34450(9) 1.6675(3) -0.24786(8) 0.0318(6) Uani 1 1 d . . . . .
C15 C -0.38091(10) 1.7532(3) 0.03567(8) 0.0360(6) Uani 1 1 d . . . . .
O4 O -0.40991(7) 1.5753(2) -0.29688(6) 0.0446(5) Uani 1 1 d . . . . .
O3 O -0.35874(7) 1.7534(2) -0.32259(6) 0.0452(5) Uani 1 1 d . . . . .
O7 O 0.14837(8) 1.4895(2) -0.11132(7) 0.0520(6) Uani 1 1 d . . . . .
O8 O 0.04898(7) 1.9152(2) -0.14714(7) 0.0485(5) Uani 1 1 d . . . . .
C26 C 0.07123(11) 2.0231(3) -0.16552(10) 0.0448(7) Uani 1 1 d . . . . .
N3 N 0.05818(10) 2.0690(3) -0.20614(9) 0.0546(7) Uani 1 1 d . . . . .
C27 C 0.11387(13) 2.1050(4) -0.14157(12) 0.0637(10) Uani 1 1 d . . . . .
H30J H 0.1266 2.1844 -0.1605 0.096 Uiso 1 1 calc R U . . .
H30K H 0.1010 2.1469 -0.1139 0.096 Uiso 1 1 calc R U . . .
H30L H 0.1412 2.0358 -0.1350 0.096 Uiso 1 1 calc R U . . .
C28 C 0.08089(17) 2.2030(5) -0.22750(13) 0.0867(14) Uani 1 1 d . . . . .
H30M H 0.0662 2.2167 -0.2569 0.130 Uiso 1 1 calc R U . . .
H30N H 0.0739 2.2900 -0.2093 0.130 Uiso 1 1 calc R U . . .
H30O H 0.1174 2.1897 -0.2302 0.130 Uiso 1 1 calc R U . . .
C29 C 0.01928(15) 1.9825(5) -0.23128(12) 0.0828(13) Uani 1 1 d . . . . .
H30P H 0.0136 2.0286 -0.2601 0.124 Uiso 1 1 calc R U . . .
H30Q H 0.0312 1.8811 -0.2355 0.124 Uiso 1 1 calc R U . . .
H30R H -0.0123 1.9813 -0.2146 0.124 Uiso 1 1 calc R U . . .
C23 C 0.21859(16) 1.3843(5) -0.16220(14) 0.0919(14) Uani 1 1 d . . . . .
H30A H 0.2043 1.4475 -0.1853 0.138 Uiso 1 1 calc R U . A 1
H30B H 0.2536 1.4129 -0.1567 0.138 Uiso 1 1 calc R U . A 1
H30C H 0.2174 1.2811 -0.1718 0.138 Uiso 1 1 calc R U . A 1
C25 C 0.17136(16) 1.3415(5) -0.04290(12) 0.0858(13) Uani 1 1 d . . . . .
H30D H 0.1851 1.2789 -0.0194 0.129 Uiso 1 1 calc R U . B 1
H30E H 0.1723 1.4449 -0.0335 0.129 Uiso 1 1 calc R U . B 1
H30F H 0.1365 1.3126 -0.0489 0.129 Uiso 1 1 calc R U . B 1
C24 C 0.24654(16) 1.2142(5) -0.09231(16) 0.1012(16) Uani 1 1 d . . . . .
H30G H 0.2529 1.1663 -0.0638 0.152 Uiso 1 1 calc R U . C 1
H30H H 0.2373 1.1394 -0.1143 0.152 Uiso 1 1 calc R U . C 1
H30I H 0.2770 1.2658 -0.1020 0.152 Uiso 1 1 calc R U . C 1
O9 O 0.03547(8) 1.4034(2) -0.10299(8) 0.0530(5) Uani 1 1 d . . . . .
C34 C -0.03648(16) 1.0842(4) -0.06457(17) 0.1064(18) Uani 1 1 d . . . . .
H40A H -0.0613 1.0249 -0.0807 0.160 Uiso 1 1 calc R U . D 1
H40B H -0.0071 1.0231 -0.0575 0.160 Uiso 1 1 calc R U . D 1
H40C H -0.0516 1.1210 -0.0372 0.160 Uiso 1 1 calc R U . D 1
C31 C -0.03463(15) 1.2483(5) -0.13991(15) 0.0915(15) Uani 1 1 d . . . . .
H40D H -0.0595 1.1753 -0.1497 0.137 Uiso 1 1 calc R U . E 1
H40E H -0.0493 1.3473 -0.1416 0.137 Uiso 1 1 calc R U . E 1
H40F H -0.0049 1.2431 -0.1590 0.137 Uiso 1 1 calc R U . E 1
C32 C 0.03057(16) 1.2806(6) -0.02644(13) 0.1013(16) Uani 1 1 d . . . . .
H40G H 0.0084 1.2048 -0.0140 0.152 Uiso 1 1 calc R U . F 1
H40H H 0.0656 1.2464 -0.0254 0.152 Uiso 1 1 calc R U . F 1
H40I H 0.0273 1.3717 -0.0092 0.152 Uiso 1 1 calc R U . F 1
N2A N 0.2148(3) 1.3361(9) -0.1154(4) 0.055(2) Uani 0.544(17) 1 d . . P G 2
C22A C 0.1757(3) 1.3981(7) -0.0904(3) 0.036(2) Uani 0.544(17) 1 d . . P G 2
N4A N -0.0014(4) 1.2186(10) -0.0662(4) 0.068(3) Uani 0.544(17) 1 d . . P G 2
C30A C 0.0039(4) 1.2969(9) -0.1009(5) 0.049(3) Uani 0.544(17) 1 d . . P G 2
N4B N -0.0198(3) 1.2167(10) -0.0937(5) 0.055(3) Uani 0.456(17) 1 d . . P G 1
C22B C 0.1871(4) 1.4026(10) -0.1183(6) 0.054(3) Uani 0.456(17) 1 d . . P G 1
N2B N 0.2049(4) 1.3215(10) -0.0875(5) 0.063(3) Uani 0.456(17) 1 d . . P G 1
C30B C 0.0155(4) 1.3106(11) -0.0747(5) 0.045(3) Uani 0.456(17) 1 d . . P G 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
La1 O8 2.476(2) . ?
La1 O9 2.489(2) . ?
La1 O7 2.541(2) . ?
La1 O1 2.5618(17) . ?
La1 O5 2.5725(19) 4_585 ?
La1 O2 2.5780(17) . ?
La1 O4 2.5870(18) 6_655 ?
La1 O6 2.6179(19) 4_585 ?
La1 O3 2.6314(18) 6_655 ?
La1 C1 2.926(2) . ?
La1 C15 2.947(3) 4_585 ?
La1 C8 2.969(2) 6_655 ?
C5 C4 1.389(3) . ?
C5 C6 1.395(3) . ?
C5 N1 1.409(3) . ?
C1 O1 1.259(3) . ?
C1 O2 1.264(3) . ?
C1 C2 1.501(3) . ?
N1 C12 1.429(3) . ?
N1 C19 1.433(3) . ?
C2 C3 1.379(3) . ?
C2 C7 1.392(3) . ?
C12 C11 1.386(4) . ?
C12 C13 1.389(4) . ?
C7 C6 1.381(3) . ?
C7 H12A 0.9300 . ?
C3 C4 1.384(3) . ?
C3 H13A 0.9300 . ?
C19 C18 1.379(4) . ?
C19 C20 1.390(4) . ?
C18 C17 1.382(3) . ?
C18 H21A 0.9300 . ?
C17 C16 1.384(3) . ?
C17 H23A 0.9300 . ?
C6 H28A 0.9300 . ?
C16 C21 1.382(4) . ?
C16 C15 1.504(3) . ?
C20 C21 1.384(3) . ?
C20 H32A 0.9300 . ?
C21 H34A 0.9300 . ?
C4 H37A 0.9300 . ?
C13 C14 1.382(3) . ?
C13 H11A 0.9300 . ?
C11 C10 1.379(3) . ?
C11 H11B 0.9300 . ?
C14 C9 1.385(4) . ?
C14 H11C 0.9300 . ?
C10 C9 1.386(4) . ?
C10 H11D 0.9300 . ?
O6 C15 1.255(3) . ?
O6 La1 2.6180(19) 4_485 ?
O5 C15 1.251(3) . ?
O5 La1 2.5725(19) 4_485 ?
C8 O4 1.254(3) . ?
C8 O3 1.259(3) . ?
C8 C9 1.502(3) . ?
C8 La1 2.969(2) 6 ?
C15 La1 2.947(3) 4_485 ?
O4 La1 2.5870(18) 6 ?
O3 La1 2.6313(18) 6 ?
O7 C22A 1.244(7) . ?
O7 C22B 1.285(11) . ?
O8 C26 1.245(3) . ?
C26 N3 1.315(4) . ?
C26 C27 1.504(4) . ?
N3 C28 1.472(4) . ?
N3 C29 1.473(4) . ?
C27 H30J 0.9600 . ?
C27 H30K 0.9600 . ?
C27 H30L 0.9600 . ?
C28 H30M 0.9600 . ?
C28 H30N 0.9600 . ?
C28 H30O 0.9600 . ?
C29 H30P 0.9600 . ?
C29 H30Q 0.9600 . ?
C29 H30R 0.9600 . ?
C23 N2A 1.454(13) . ?
C23 C22B 1.547(17) . ?
C23 H30A 0.9600 . ?
C23 H30B 0.9600 . ?
C23 H30C 0.9600 . ?
C25 C22A 1.499(11) . ?
C25 N2B 1.594(18) . ?
C25 H30D 0.9600 . ?
C25 H30E 0.9600 . ?
C25 H30F 0.9600 . ?
C24 N2B 1.450(11) . ?
C24 N2A 1.524(11) . ?
C24 H30G 0.9600 . ?
C24 H30H 0.9600 . ?
C24 H30I 0.9600 . ?
O9 C30A 1.254(10) . ?
O9 C30B 1.285(12) . ?
C34 N4A 1.503(12) . ?
C34 N4B 1.522(13) . ?
C34 H40A 0.9600 . ?
C34 H40B 0.9600 . ?
C34 H40C 0.9600 . ?
C31 N4B 1.451(16) . ?
C31 C30A 1.590(15) . ?
C31 H40D 0.9600 . ?
C31 H40E 0.9600 . ?
C31 H40F 0.9600 . ?
C32 C30B 1.506(15) . ?
C32 N4A 1.544(16) . ?
C32 H40G 0.9600 . ?
C32 H40H 0.9600 . ?
C32 H40I 0.9600 . ?
N2A C22A 1.374(14) . ?
N4A C30A 1.248(17) . ?
N4B C30B 1.362(19) . ?
C22B N2B 1.25(2) . ?

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
O8 La1 O9 145.61(7) . . ?
O8 La1 O7 139.14(7) . . ?
O9 La1 O7 74.49(7) . . ?
O8 La1 O1 74.42(7) . . ?
O9 La1 O1 77.00(7) . . ?
O7 La1 O1 142.80(7) . . ?
O8 La1 O5 111.38(7) . 4_585 ?
O9 La1 O5 79.15(7) . 4_585 ?
O7 La1 O5 75.75(7) . 4_585 ?
O1 La1 O5 75.83(6) . 4_585 ?
O8 La1 O2 74.05(6) . . ?
O9 La1 O2 73.21(7) . . ?
O7 La1 O2 137.13(7) . . ?
O1 La1 O2 50.96(6) . . ?
O5 La1 O2 123.81(6) 4_585 . ?
O8 La1 O4 90.84(7) . 6_655 ?
O9 La1 O4 91.18(7) . 6_655 ?
O7 La1 O4 77.39(7) . 6_655 ?
O1 La1 O4 126.79(6) . 6_655 ?
O5 La1 O4 153.01(7) 4_585 6_655 ?
O2 La1 O4 75.87(6) . 6_655 ?
O8 La1 O6 77.82(7) . 4_585 ?
O9 La1 O6 126.74(7) . 4_585 ?
O7 La1 O6 78.02(7) . 4_585 ?
O1 La1 O6 101.11(6) . 4_585 ?
O5 La1 O6 50.06(6) 4_585 4_585 ?
O2 La1 O6 144.71(7) . 4_585 ?
O4 La1 O6 125.76(6) 6_655 4_585 ?
O8 La1 O3 70.16(7) . 6_655 ?
O9 La1 O3 133.27(7) . 6_655 ?
O7 La1 O3 72.52(7) . 6_655 ?
O1 La1 O3 144.17(7) . 6_655 ?
O5 La1 O3 122.26(6) 4_585 6_655 ?
O2 La1 O3 112.25(6) . 6_655 ?
O4 La1 O3 49.94(6) 6_655 6_655 ?
O6 La1 O3 76.71(6) 4_585 6_655 ?
O8 La1 C1 73.38(7) . . ?
O9 La1 C1 72.58(7) . . ?
O7 La1 C1 147.02(7) . . ?
O1 La1 C1 25.43(6) . . ?
O5 La1 C1 99.58(6) 4_585 . ?
O2 La1 C1 25.56(6) . . ?
O4 La1 C1 101.43(6) 6_655 . ?
O6 La1 C1 124.35(7) 4_585 . ?
O3 La1 C1 131.91(7) 6_655 . ?
O8 La1 C15 96.54(8) . 4_585 ?
O9 La1 C15 102.33(8) . 4_585 ?
O7 La1 C15 73.26(7) . 4_585 ?
O1 La1 C15 90.23(7) . 4_585 ?
O5 La1 C15 25.05(7) 4_585 4_585 ?
O2 La1 C15 141.17(6) . 4_585 ?
O4 La1 C15 142.78(7) 6_655 4_585 ?
O6 La1 C15 25.20(7) 4_585 4_585 ?
O3 La1 C15 98.82(7) 6_655 4_585 ?
C1 La1 C15 115.65(7) . 4_585 ?
O8 La1 C8 79.66(7) . 6_655 ?
O9 La1 C8 112.88(8) . 6_655 ?
O7 La1 C8 73.46(7) . 6_655 ?
O1 La1 C8 140.93(6) . 6_655 ?
O5 La1 C8 141.92(6) 4_585 6_655 ?
O2 La1 C8 94.14(6) . 6_655 ?
O4 La1 C8 24.88(6) 6_655 6_655 ?
O6 La1 C8 101.38(7) 4_585 6_655 ?
O3 La1 C8 25.06(6) 6_655 6_655 ?
C1 La1 C8 118.42(7) . 6_655 ?
C15 La1 C8 121.70(8) 4_585 6_655 ?
C4 C5 C6 118.2(2) . . ?
C4 C5 N1 120.1(2) . . ?
C6 C5 N1 121.8(2) . . ?
O1 C1 O2 122.4(2) . . ?
O1 C1 C2 119.3(2) . . ?
O2 C1 C2 118.3(2) . . ?
O1 C1 La1 60.90(12) . . ?
O2 C1 La1 61.65(12) . . ?
C2 C1 La1 176.06(18) . . ?
C1 O2 La1 92.79(14) . . ?
C1 O1 La1 93.67(14) . . ?
C5 N1 C12 120.97(19) . . ?
C5 N1 C19 120.90(19) . . ?
C12 N1 C19 117.57(19) . . ?
C3 C2 C7 118.3(2) . . ?
C3 C2 C1 120.6(2) . . ?
C7 C2 C1 121.1(2) . . ?
C11 C12 C13 119.2(2) . . ?
C11 C12 N1 121.1(2) . . ?
C13 C12 N1 119.7(2) . . ?
C6 C7 C2 120.8(2) . . ?
C6 C7 H12A 119.6 . . ?
C2 C7 H12A 119.6 . . ?
C2 C3 C4 121.4(2) . . ?
C2 C3 H13A 119.3 . . ?
C4 C3 H13A 119.3 . . ?
C18 C19 C20 119.3(2) . . ?
C18 C19 N1 120.0(2) . . ?
C20 C19 N1 120.7(2) . . ?
C19 C18 C17 120.6(2) . . ?
C19 C18 H21A 119.7 . . ?
C17 C18 H21A 119.7 . . ?
C18 C17 C16 120.6(2) . . ?
C18 C17 H23A 119.7 . . ?
C16 C17 H23A 119.7 . . ?
C7 C6 C5 120.9(2) . . ?
C7 C6 H28A 119.6 . . ?
C5 C6 H28A 119.6 . . ?
C21 C16 C17 118.6(2) . . ?
C21 C16 C15 121.5(2) . . ?
C17 C16 C15 120.0(2) . . ?
C21 C20 C19 119.6(2) . . ?
C21 C20 H32A 120.2 . . ?
C19 C20 H32A 120.2 . . ?
C16 C21 C20 121.3(2) . . ?
C16 C21 H34A 119.4 . . ?
C20 C21 H34A 119.4 . . ?
C3 C4 C5 120.5(2) . . ?
C3 C4 H37A 119.7 . . ?
C5 C4 H37A 119.7 . . ?
C14 C13 C12 120.0(2) . . ?
C14 C13 H11A 120.0 . . ?
C12 C13 H11A 120.0 . . ?
C10 C11 C12 120.1(2) . . ?
C10 C11 H11B 120.0 . . ?
C12 C11 H11B 120.0 . . ?
C13 C14 C9 121.2(2) . . ?
C13 C14 H11C 119.4 . . ?
C9 C14 H11C 119.4 . . ?
C11 C10 C9 121.3(2) . . ?
C11 C10 H11D 119.3 . . ?
C9 C10 H11D 119.3 . . ?
C15 O6 La1 92.21(16) . 4_485 ?
C15 O5 La1 94.44(15) . 4_485 ?
O4 C8 O3 122.5(2) . . ?
O4 C8 C9 119.4(2) . . ?
O3 C8 C9 118.1(2) . . ?
O4 C8 La1 60.24(13) . 6 ?
O3 C8 La1 62.28(13) . 6 ?
C9 C8 La1 179.5(2) . 6 ?
C14 C9 C10 118.1(2) . . ?
C14 C9 C8 121.5(2) . . ?
C10 C9 C8 120.4(2) . . ?
O5 C15 O6 122.4(2) . . ?
O5 C15 C16 118.7(2) . . ?
O6 C15 C16 118.9(2) . . ?
O5 C15 La1 60.51(13) . 4_485 ?
O6 C15 La1 62.60(14) . 4_485 ?
C16 C15 La1 170.05(18) . 4_485 ?
C8 O4 La1 94.89(15) . 6 ?
C8 O3 La1 92.66(15) . 6 ?
C22A O7 La1 153.9(5) . . ?
C22B O7 La1 164.1(7) . . ?
C26 O8 La1 138.08(19) . . ?
O8 C26 N3 121.3(3) . . ?
O8 C26 C27 120.5(3) . . ?
N3 C26 C27 118.2(3) . . ?
C26 N3 C28 122.7(3) . . ?
C26 N3 C29 118.6(3) . . ?
C28 N3 C29 118.7(3) . . ?
C26 C27 H30J 109.5 . . ?
C26 C27 H30K 109.5 . . ?
H30J C27 H30K 109.5 . . ?
C26 C27 H30L 109.5 . . ?
H30J C27 H30L 109.5 . . ?
H30K C27 H30L 109.5 . . ?
N3 C28 H30M 109.5 . . ?
N3 C28 H30N 109.5 . . ?
H30M C28 H30N 109.5 . . ?
N3 C28 H30O 109.5 . . ?
H30M C28 H30O 109.5 . . ?
H30N C28 H30O 109.5 . . ?
N3 C29 H30P 109.5 . . ?
N3 C29 H30Q 109.5 . . ?
H30P C29 H30Q 109.5 . . ?
N3 C29 H30R 109.5 . . ?
H30P C29 H30R 109.5 . . ?
H30Q C29 H30R 109.5 . . ?
C22B C23 H30A 109.5 . . ?
C22B C23 H30B 109.5 . . ?
H30A C23 H30B 109.5 . . ?
C22B C23 H30C 109.5 . . ?
H30A C23 H30C 109.5 . . ?
H30B C23 H30C 109.5 . . ?
N2B C25 H30D 109.5 . . ?
N2B C25 H30E 109.5 . . ?
H30D C25 H30E 109.5 . . ?
N2B C25 H30F 109.5 . . ?
H30D C25 H30F 109.5 . . ?
H30E C25 H30F 109.5 . . ?
N2B C24 H30G 109.5 . . ?
N2B C24 H30H 109.5 . . ?
H30G C24 H30H 109.5 . . ?
N2B C24 H30I 109.5 . . ?
H30G C24 H30I 109.5 . . ?
H30H C24 H30I 109.5 . . ?
C30A O9 La1 158.6(5) . . ?
C30B O9 La1 150.4(6) . . ?
N4B C34 H40A 109.5 . . ?
N4B C34 H40B 109.5 . . ?
H40A C34 H40B 109.5 . . ?
N4B C34 H40C 109.5 . . ?
H40A C34 H40C 109.5 . . ?
H40B C34 H40C 109.5 . . ?
N4B C31 H40D 109.5 . . ?
N4B C31 H40E 109.5 . . ?
H40D C31 H40E 109.5 . . ?
N4B C31 H40F 109.5 . . ?
H40D C31 H40F 109.5 . . ?
H40E C31 H40F 109.5 . . ?
C30B C32 H40G 109.5 . . ?
C30B C32 H40H 109.5 . . ?
H40G C32 H40H 109.5 . . ?
C30B C32 H40I 109.5 . . ?
H40G C32 H40I 109.5 . . ?
H40H C32 H40I 109.5 . . ?
C22A N2A C23 116.5(9) . . ?
C22A N2A C24 116.3(11) . . ?
C23 N2A C24 126.9(6) . . ?
O7 C22A N2A 114.5(12) . . ?
O7 C22A C25 130.1(7) . . ?
N2A C22A C25 115.3(8) . . ?
C30A N4A C34 122.4(16) . . ?
C30A N4A C32 111.8(13) . . ?
C34 N4A C32 125.8(7) . . ?
N4A C30A O9 122.2(18) . . ?
N4A C30A C31 112.2(12) . . ?
O9 C30A C31 125.6(9) . . ?
C30B N4B C31 116.8(13) . . ?
C30B N4B C34 115.6(15) . . ?
C31 N4B C34 127.5(7) . . ?
N2B C22B O7 121(2) . . ?
N2B C22B C23 110.9(13) . . ?
O7 C22B C23 127.8(10) . . ?
C22B N2B C24 125.7(19) . . ?
C22B N2B C25 109.8(13) . . ?
C24 N2B C25 124.3(9) . . ?
O9 C30B N4B 113.3(16) . . ?
O9 C30B C32 128.9(9) . . ?
N4B C30B C32 117.3(12) . . ?

_refine_diff_density_max         0.399
_refine_diff_density_min         -0.424
_refine_diff_density_rms         0.074

_shelxl_version_number           2014-3

