# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 1884396'
_audit_update_record             
;
2018-12-11 deposited with the CCDC.
2019-01-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C10 H16 Cl La N2 Na4 O14 P'
_chemical_formula_weight         685.54

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'
Cl Cl 0.1484 0.1585 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           ?
_symmetry_space_group_name_H-M   ?

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

_cell_length_a                   21.0289(2)
_cell_length_b                   21.0289(2)
_cell_length_c                   9.5708(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     4232.35(11)
_cell_formula_units_Z            8
_cell_measurement_temperature    446(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.152
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2680
_exptl_absorpt_coefficient_mu    2.376
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.7970
_exptl_absorpt_correction_T_max  0.8904
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      446(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19142
_diffrn_reflns_av_R_equivalents  0.0285
_diffrn_reflns_av_sigmaI/netI    0.0149
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.88
_diffrn_reflns_theta_max         26.50
_reflns_number_total             2289
_reflns_number_gt                2255
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0249P)²+171.9636P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2289
_refine_ls_number_parameters     188
_refine_ls_number_restraints     11
_refine_ls_R_factor_all          0.0788
_refine_ls_R_factor_gt           0.0781
_refine_ls_wR_factor_ref         0.1657
_refine_ls_wR_factor_gt          0.1653
_refine_ls_goodness_of_fit_ref   1.209
_refine_ls_restrained_S_all      1.206
_refine_ls_shift/su_max          0.680
_refine_ls_shift/su_mean         0.011

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
La1 La 0.7500 0.06849(3) 0.5000 0.0103(2) Uani 1 2 d S . .
N1 N 0.7418(3) -0.0464(3) 0.6514(7) 0.0097(15) Uani 1 1 d . . .
C1 C 0.6778(5) -0.0547(4) 0.7032(10) 0.0143(19) Uani 1 1 d . . .
H1A H 0.6768 -0.0882 0.7728 0.017 Uiso 1 1 calc R . .
H1B H 0.6496 -0.0666 0.6272 0.017 Uiso 1 1 calc R . .
C2 C 0.6558(4) 0.0083(4) 0.7680(9) 0.0085(17) Uani 1 1 d . . .
C3 C 0.7856(4) -0.0355(5) 0.7691(10) 0.0155(19) Uani 1 1 d . . .
H3A H 0.7912 -0.0750 0.8202 0.019 Uiso 1 1 calc R . .
H3B H 0.7671 -0.0046 0.8323 0.019 Uiso 1 1 calc R . .
C4 C 0.8493(4) -0.0120(4) 0.7204(9) 0.0103(17) Uani 1 1 d . . .
C5 C 0.7637(4) -0.1042(4) 0.5746(9) 0.0130(19) Uani 1 1 d U . .
H5A H 0.7499 -0.1421 0.6237 0.016 Uiso 1 1 calc R . .
H5B H 0.8098 -0.1047 0.5704 0.016 Uiso 1 1 calc R . .
O1 O 0.6675(3) 0.0581(3) 0.6962(7) 0.0114(13) Uani 1 1 d . . .
O1W O 0.9891(4) 0.0109(4) 0.3458(16) 0.042(4) Uani 1 2 d SD . .
H1WA H 0.991(7) -0.023(4) 0.297(13) 0.064 Uiso 1 1 d D . .
O2 O 0.6304(3) 0.0067(3) 0.8857(7) 0.0152(14) Uani 1 1 d . . .
O2W O 0.7500 -0.2500 0.7822(14) 0.016(3) Uani 1 4 d SD . .
O3 O 0.8505(3) 0.0200(3) 0.6086(7) 0.0119(13) Uani 1 1 d . . .
O3W O 1.0000 0.0000 1.0000 0.041(5) Uani 1 4 d SD . .
O4 O 0.8972(3) -0.0248(4) 0.7920(9) 0.031(2) Uani 1 1 d . . .
O4W O 1.0709(3) -0.0709(3) 1.0326(12) 0.022(2) Uani 1 2 d SD . .
H4WA H 1.059(6) -0.109(2) 1.043(13) 0.033 Uiso 1 1 d D . .
O5 O 0.8397(4) 0.1603(4) 0.5128(12) 0.026(2) Uani 1 2 d S . .
O6 O 0.7759(4) 0.1458(4) 0.7040(8) 0.0237(18) Uani 1 1 d . . .
Na1 Na 0.9256(2) 0.0744(2) 0.4742(6) 0.0230(13) Uani 1 2 d S . .
Na2 Na 0.91754(17) -0.08246(17) 1.0000 0.0147(10) Uani 1 2 d S . .
Na3 Na 0.6661(2) 0.1661(2) 0.7808(7) 0.0227(13) Uani 1 2 d S . .
Na4 Na 0.8286(3) -0.1714(3) 1.0000 0.0416(17) Uani 1 2 d S . .
P1 P 0.8130(11) 0.1870(11) 0.698(15) 1.6(2) Uani 0.50 2 d SP . .
H1 H 0.7821 0.2179 0.6626 2.379 Uiso 0.50 2 calc SPR . .
Cl11 Cl 0.7121(8) 0.1048(10) 0.995(2) 0.094(5) Uani 0.33 1 d P . .
Cl12 Cl 0.6528(7) 0.1528(7) 1.027(2) 0.075(6) Uani 0.33 2 d SP . .
H3WA H 0.985(15) 0.015(15) 1.08(3) 0.113 Uiso 0.50 2 d SPD . .
H2WA H 0.7500 -0.2500 0.6935(18) 0.113 Uiso 1 4 d SD . .
P2 P 0.8181(9) 0.1819(9) 0.6408(16) 0.120(10) Uani 0.50 2 d SP . .


_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 O3 2.566(6) 5_656 ?
La1 O3 2.566(6) . ?
La1 O1 2.566(6) . ?
La1 O1 2.566(6) 5_656 ?
La1 O6 2.598(7) . ?
La1 O6 2.598(7) 5_656 ?
La1 O5 2.7018(8) . ?
La1 O5 2.7020(7) 11_666 ?
La1 N1 2.822(7) 5_656 ?
La1 N1 2.822(7) . ?
La1 P1 3.40(8) . ?
La1 P2 3.091(5) . ?
N1 C1 1.445(11) . ?
N1 C3 1.473(11) . ?
N1 C5 1.495(11) . ?
C1 C2 1.534(13) . ?
C2 O2 1.246(11) . ?
C2 O1 1.277(11) . ?
C3 C4 1.503(12) . ?
C4 O4 1.248(11) . ?
C4 O3 1.264(11) . ?
C5 C5 1.540(17) 5_656 ?
O1 Na3 2.412(8) . ?
O1 Na1 2.572(8) 11_666 ?
O1W Na1 2.252(13) . ?
O2 Na2 2.394(7) 3_545 ?
O3 Na1 2.336(7) . ?
O3W Na2 2.452(5) 9_757 ?
O3W Na2 2.452(5) . ?
O4 Na2 2.370(7) . ?
O5 P2 1.384(15) . ?
O5 P1 1.95(13) . ?
O5 Na1 2.581(13) . ?
O5 La1 2.7020(7) 12_656 ?
O5 Na3 2.815(14) 12_656 ?
O6 P2 1.315(9) . ?
O6 P1 1.166(10) . ?
O6 Na3 2.459(9) . ?
Na1 O3 2.336(7) 15_665 ?
Na1 O1 2.572(8) 5_656 ?
Na1 O1 2.572(8) 12_656 ?
Na1 Na3 3.662(9) 12_656 ?
Na1 La1 3.704(4) 12_656 ?
Na2 O4 2.370(7) 7_647 ?
Na2 O2 2.394(7) 4_655 ?
Na2 O2 2.394(7) 5_657 ?
Na2 Na4 2.645(9) . ?
Na3 Cl12 2.39(2) . ?
Na3 O1 2.412(8) 16_655 ?
Na3 O6 2.459(9) 16_655 ?
Na3 Cl11 2.61(2) . ?
Na3 Cl11 2.61(2) 16_655 ?
Na3 O5 2.815(14) 11_666 ?
Na3 Na1 3.662(9) 11_666 ?
Na3 La1 3.814(5) 11_666 ?
Na4 Na4 3.305(11) 4_655 ?
Na4 Na4 3.305(11) 3_545 ?
P1 O6 1.169(10) 15_665 ?
P1 La1 3.40(8) 12_656 ?
Cl11 Cl11 1.60(3) 5_657 ?
Cl11 Cl12 1.63(2) . ?
Cl12 Cl11 1.63(2) 16_655 ?
P2 O6 1.315(9) 15_665 ?
P2 La1 3.091(5) 12_656 ?

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
O3 La1 O3 133.2(3) 5_656 . ?
O3 La1 O1 72.9(2) 5_656 . ?
O3 La1 O1 103.1(2) . . ?
O3 La1 O1 103.1(2) 5_656 5_656 ?
O3 La1 O1 72.9(2) . 5_656 ?
O1 La1 O1 170.2(3) . 5_656 ?
O3 La1 O6 136.5(2) 5_656 . ?
O3 La1 O6 76.8(2) . . ?
O1 La1 O6 69.2(2) . . ?
O1 La1 O6 117.5(2) 5_656 . ?
O3 La1 O6 76.8(2) 5_656 5_656 ?
O3 La1 O6 136.5(2) . 5_656 ?
O1 La1 O6 117.5(2) . 5_656 ?
O1 La1 O6 69.2(2) 5_656 5_656 ?
O6 La1 O6 102.5(4) . 5_656 ?
O3 La1 O5 151.3(3) 5_656 . ?
O3 La1 O5 72.0(3) . . ?
O1 La1 O5 120.0(3) . . ?
O1 La1 O5 67.8(3) 5_656 . ?
O6 La1 O5 51.2(3) . . ?
O6 La1 O5 74.5(3) 5_656 . ?
O3 La1 O5 72.0(3) 5_656 11_666 ?
O3 La1 O5 151.3(3) . 11_666 ?
O1 La1 O5 67.8(3) . 11_666 ?
O1 La1 O5 120.0(3) 5_656 11_666 ?
O6 La1 O5 74.5(3) . 11_666 ?
O6 La1 O5 51.2(3) 5_656 11_666 ?
O5 La1 O5 88.8(5) . 11_666 ?
O3 La1 N1 60.2(2) 5_656 5_656 ?
O3 La1 N1 79.5(2) . 5_656 ?
O1 La1 N1 110.1(2) . 5_656 ?
O1 La1 N1 60.7(2) 5_656 5_656 ?
O6 La1 N1 155.3(2) . 5_656 ?
O6 La1 N1 99.4(2) 5_656 5_656 ?
O5 La1 N1 126.3(3) . 5_656 ?
O5 La1 N1 129.1(3) 11_666 5_656 ?
O3 La1 N1 79.5(2) 5_656 . ?
O3 La1 N1 60.2(2) . . ?
O1 La1 N1 60.7(2) . . ?
O1 La1 N1 110.1(2) 5_656 . ?
O6 La1 N1 99.4(2) . . ?
O6 La1 N1 155.3(2) 5_656 . ?
O5 La1 N1 129.1(3) . . ?
O5 La1 N1 126.3(3) 11_666 . ?
N1 La1 N1 62.3(3) 5_656 . ?
O3 La1 P1 146.9(6) 5_656 . ?
O3 La1 P1 75.2(8) . . ?
O1 La1 P1 85.2(17) . . ?
O1 La1 P1 102.0(15) 5_656 . ?
O6 La1 P1 16.4(19) . . ?
O6 La1 P1 92.4(17) 5_656 . ?
O5 La1 P1 34.9(17) . . ?
O5 La1 P1 76.9(7) 11_666 . ?
N1 La1 P1 152.8(5) 5_656 . ?
N1 La1 P1 111.4(18) . . ?
O3 La1 P2 149.8(5) 5_656 . ?
O3 La1 P2 75.5(5) . . ?
O1 La1 P2 93.4(2) . . ?
O1 La1 P2 94.1(2) 5_656 . ?
O6 La1 P2 24.8(2) . . ?
O6 La1 P2 86.6(5) 5_656 . ?
O5 La1 P2 26.6(3) . . ?
O5 La1 P2 78.0(5) 11_666 . ?
N1 La1 P2 148.9(4) 5_656 . ?
N1 La1 P2 117.7(5) . . ?
P1 La1 P2 8.5(19) . . ?
C1 N1 C3 109.8(7) . . ?
C1 N1 C5 111.0(7) . . ?
C3 N1 C5 108.0(7) . . ?
C1 N1 La1 109.7(5) . . ?
C3 N1 La1 102.8(5) . . ?
C5 N1 La1 115.2(5) . . ?
N1 C1 C2 108.4(7) . . ?
O2 C2 O1 126.2(9) . . ?
O2 C2 C1 118.1(8) . . ?
O1 C2 C1 115.6(7) . . ?
N1 C3 C4 111.8(8) . . ?
O4 C4 O3 124.4(8) . . ?
O4 C4 C3 118.5(8) . . ?
O3 C4 C3 117.1(8) . . ?
N1 C5 C5 109.9(6) . 5_656 ?
C2 O1 Na3 126.1(6) . . ?
C2 O1 La1 126.4(6) . . ?
Na3 O1 La1 100.0(3) . . ?
C2 O1 Na1 107.7(5) . 11_666 ?
Na3 O1 Na1 94.5(3) . 11_666 ?
La1 O1 Na1 92.3(2) . 11_666 ?
C2 O2 Na2 127.9(6) . 3_545 ?
C4 O3 Na1 137.7(6) . . ?
C4 O3 La1 122.5(5) . . ?
Na1 O3 La1 98.0(3) . . ?
Na2 O3W Na2 180.0(2) 9_757 . ?
C4 O4 Na2 135.9(6) . . ?
P2 O5 P1 4(2) . . ?
P2 O5 Na1 126.0(14) . . ?
P1 O5 Na1 122(2) . . ?
P2 O5 La1 92.6(2) . 12_656 ?
P1 O5 La1 92.7(2) . 12_656 ?
Na1 O5 La1 89.0(2) . 12_656 ?
P2 O5 La1 92.6(2) . . ?
P1 O5 La1 92.6(2) . . ?
Na1 O5 La1 89.0(2) . . ?
La1 O5 La1 174.7(5) 12_656 . ?
P2 O5 Na3 148.7(14) . 12_656 ?
P1 O5 Na3 152(2) . 12_656 ?
Na1 O5 Na3 85.4(3) . 12_656 ?
La1 O5 Na3 87.5(3) 12_656 12_656 ?
La1 O5 Na3 87.5(3) . 12_656 ?
P2 O6 P1 26(7) . . ?
P2 O6 Na3 132.0(12) . . ?
P1 O6 Na3 121(3) . . ?
P2 O6 La1 99.1(6) . . ?
P1 O6 La1 125(7) . . ?
Na3 O6 La1 97.9(3) . . ?
O1W Na1 O3 114.3(3) . 15_665 ?
O1W Na1 O3 114.3(3) . . ?
O3 Na1 O3 111.1(4) 15_665 . ?
O1W Na1 O1 91.5(4) . 5_656 ?
O3 Na1 O1 144.2(3) 15_665 5_656 ?
O3 Na1 O1 76.6(2) . 5_656 ?
O1W Na1 O1 91.5(4) . 12_656 ?
O3 Na1 O1 76.6(2) 15_665 12_656 ?
O3 Na1 O1 144.2(3) . 12_656 ?
O1 Na1 O1 78.5(3) 5_656 12_656 ?
O1W Na1 O5 155.1(6) . . ?
O3 Na1 O5 77.9(3) 15_665 . ?
O3 Na1 O5 77.9(3) . . ?
O1 Na1 O5 69.5(3) 5_656 . ?
O1 Na1 O5 69.5(3) 12_656 . ?
O1W Na1 Na3 105.1(5) . 12_656 ?
O3 Na1 Na3 105.5(2) 15_665 12_656 ?
O3 Na1 Na3 105.5(2) . 12_656 ?
O1 Na1 Na3 41.04(17) 5_656 12_656 ?
O1 Na1 Na3 41.04(17) 12_656 12_656 ?
O5 Na1 Na3 50.0(3) . 12_656 ?
O1W Na1 La1 127.40(19) . 12_656 ?
O3 Na1 La1 43.31(17) 15_665 12_656 ?
O3 Na1 La1 118.3(3) . 12_656 ?
O1 Na1 La1 101.5(2) 5_656 12_656 ?
O1 Na1 La1 43.81(15) 12_656 12_656 ?
O5 Na1 La1 46.83(8) . 12_656 ?
Na3 Na1 La1 62.37(11) 12_656 12_656 ?
O1W Na1 La1 127.41(19) . . ?
O3 Na1 La1 118.3(3) 15_665 . ?
O3 Na1 La1 43.31(17) . . ?
O1 Na1 La1 43.81(15) 5_656 . ?
O1 Na1 La1 101.5(2) 12_656 . ?
O5 Na1 La1 46.83(8) . . ?
Na3 Na1 La1 62.37(11) 12_656 . ?
La1 Na1 La1 93.55(15) 12_656 . ?
O4 Na2 O4 152.9(5) . 7_647 ?
O4 Na2 O2 88.5(3) . 4_655 ?
O4 Na2 O2 84.7(3) 7_647 4_655 ?
O4 Na2 O2 84.7(3) . 5_657 ?
O4 Na2 O2 88.5(3) 7_647 5_657 ?
O2 Na2 O2 150.3(4) 4_655 5_657 ?
O4 Na2 O3W 76.5(2) . . ?
O4 Na2 O3W 76.5(2) 7_647 . ?
O2 Na2 O3W 75.2(2) 4_655 . ?
O2 Na2 O3W 75.2(2) 5_657 . ?
O4 Na2 Na4 103.5(2) . . ?
O4 Na2 Na4 103.5(2) 7_647 . ?
O2 Na2 Na4 104.8(2) 4_655 . ?
O2 Na2 Na4 104.8(2) 5_657 . ?
O3W Na2 Na4 180.000(1) . . ?
Cl12 Na3 O1 102.8(4) . 16_655 ?
Cl12 Na3 O1 102.8(4) . . ?
O1 Na3 O1 84.8(4) 16_655 . ?
Cl12 Na3 O6 112.6(4) . 16_655 ?
O1 Na3 O6 74.0(2) 16_655 16_655 ?
O1 Na3 O6 141.8(4) . 16_655 ?
Cl12 Na3 O6 112.6(4) . . ?
O1 Na3 O6 141.8(4) 16_655 . ?
O1 Na3 O6 74.0(2) . . ?
O6 Na3 O6 103.7(4) 16_655 . ?
Cl12 Na3 Cl11 37.8(5) . . ?
O1 Na3 Cl11 128.2(5) 16_655 . ?
O1 Na3 Cl11 78.1(5) . . ?
O6 Na3 Cl11 139.8(5) 16_655 . ?
O6 Na3 Cl11 78.6(5) . . ?
Cl12 Na3 Cl11 37.8(5) . 16_655 ?
O1 Na3 Cl11 78.1(5) 16_655 16_655 ?
O1 Na3 Cl11 128.2(5) . 16_655 ?
O6 Na3 Cl11 78.6(5) 16_655 16_655 ?
O6 Na3 Cl11 139.8(5) . 16_655 ?
Cl11 Na3 Cl11 75.4(10) . 16_655 ?
Cl12 Na3 O5 166.9(6) . 11_666 ?
O1 Na3 O5 67.9(3) 16_655 11_666 ?
O1 Na3 O5 67.9(3) . 11_666 ?
O6 Na3 O5 74.6(3) 16_655 11_666 ?
O6 Na3 O5 74.6(3) . 11_666 ?
Cl11 Na3 O5 141.2(5) . 11_666 ?
Cl11 Na3 O5 141.2(5) 16_655 11_666 ?
Cl12 Na3 Na1 122.3(6) . 11_666 ?
O1 Na3 Na1 44.44(19) 16_655 11_666 ?
O1 Na3 Na1 44.44(19) . 11_666 ?
O6 Na3 Na1 101.8(2) 16_655 11_666 ?
O6 Na3 Na1 101.8(2) . 11_666 ?
Cl11 Na3 Na1 117.3(5) . 11_666 ?
Cl11 Na3 Na1 117.3(5) 16_655 11_666 ?
O5 Na3 Na1 44.6(3) 11_666 11_666 ?
Cl12 Na3 La1 133.31(15) . 11_666 ?
O1 Na3 La1 41.49(17) 16_655 11_666 ?
O1 Na3 La1 101.9(2) . 11_666 ?
O6 Na3 La1 42.44(18) 16_655 11_666 ?
O6 Na3 La1 112.0(3) . 11_666 ?
Cl11 Na3 La1 169.1(5) . 11_666 ?
Cl11 Na3 La1 96.7(5) 16_655 11_666 ?
O5 Na3 La1 45.04(7) 11_666 11_666 ?
Na1 Na3 La1 59.36(10) 11_666 11_666 ?
Cl12 Na3 La1 133.31(15) . . ?
O1 Na3 La1 101.9(2) 16_655 . ?
O1 Na3 La1 41.49(17) . . ?
O6 Na3 La1 112.0(3) 16_655 . ?
O6 Na3 La1 42.44(18) . . ?
Cl11 Na3 La1 96.7(5) . . ?
Cl11 Na3 La1 169.1(5) 16_655 . ?
O5 Na3 La1 45.05(7) 11_666 . ?
Na1 Na3 La1 59.36(10) 11_666 . ?
La1 Na3 La1 90.08(14) 11_666 . ?
Na2 Na4 Na4 135.000(1) . 4_655 ?
Na2 Na4 Na4 135.0 . 3_545 ?
Na4 Na4 Na4 90.0 4_655 3_545 ?
O6 P1 O6 172(10) 15_665 . ?
O6 P1 O5 91(6) 15_665 . ?
O6 P1 O5 91(6) . . ?
O6 P1 La1 144(8) 15_665 . ?
O6 P1 La1 39(5) . . ?
O5 P1 La1 52.6(17) . . ?
O6 P1 La1 39(5) 15_665 12_656 ?
O6 P1 La1 144(8) . 12_656 ?
O5 P1 La1 52.5(17) . 12_656 ?
La1 P1 La1 105(3) . 12_656 ?
Cl11 Cl11 Cl12 138.6(12) 5_657 . ?
Cl11 Cl11 Na3 114.5(15) 5_657 . ?
Cl12 Cl11 Na3 63.9(10) . . ?
Cl11 Cl12 Cl11 155(2) 16_655 . ?
Cl11 Cl12 Na3 78.3(11) 16_655 . ?
Cl11 Cl12 Na3 78.3(11) . . ?
O6 P2 O6 124.6(12) 15_665 . ?
O6 P2 O5 116.0(6) 15_665 . ?
O6 P2 O5 116.0(6) . . ?
O6 P2 La1 171.3(17) 15_665 . ?
O6 P2 La1 56.1(4) . . ?
O5 P2 La1 60.82(17) . . ?
O6 P2 La1 56.1(4) 15_665 12_656 ?
O6 P2 La1 171.3(17) . 12_656 ?
O5 P2 La1 60.84(17) . 12_656 ?
La1 P2 La1 121.7(3) . 12_656 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.50
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.800
_refine_diff_density_min         -1.506
_refine_diff_density_rms         0.226
####################################################################### 
# 
# 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_exp_16295
_database_code_depnum_ccdc_archive 'CCDC 1884397'
_audit_update_record             
;
2018-12-11 deposited with the CCDC.
2019-01-29 downloaded from the CCDC.
;
_audit_creation_date             2017-04-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.5(C88 H112 Cl16 La8 N16 Na40 O96)'
_chemical_formula_sum            'C44 H56 Cl8 La4 N8 Na20 O48'
_chemical_formula_weight         2764.00
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'

_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.
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           125
_space_group_name_H-M_alt        'P 4/n b m'
_space_group_name_Hall           '-P 4a 2b'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-y+1/2, x, z'
'y, -x+1/2, z'
'-x+1/2, y, -z'
'x, -y+1/2, -z'
'y, x, -z'
'-y+1/2, -x+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y-1/2, -x, -z'
'-y, x-1/2, -z'
'x-1/2, -y, z'
'-x, y-1/2, z'
'-y, -x, z'
'y-1/2, x-1/2, z'

_cell_length_a                   21.0220(3)
_cell_length_b                   21.0220(3)
_cell_length_c                   9.5449(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4218.13(18)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3385
_cell_measurement_temperature    173
_cell_measurement_theta_max      29.1590
_cell_measurement_theta_min      3.0410
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.447
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.97986
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.176
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2688
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0435
_diffrn_reflns_av_unetI/netI     0.0348
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.913
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            14428
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.913
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.837
_diffrn_reflns_theta_min         2.883
_diffrn_ambient_temperature      173
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1903
_diffrn_detector_type            Sapphire3
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.913
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -46.00   1.00   1.00   25.00    --  -22.85  57.00 150.00   47
  2  ω    -86.00   0.00   1.00   25.00    --  -22.85 -57.00 -90.00   86
  3  ω    -48.00 -23.00   1.00   25.00    --  -22.85  77.00 -60.00   25
  4  ω    -34.00  -8.00   1.00   25.00    --  -22.85  19.00 -30.00   26
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0163172000
_diffrn_orient_matrix_UB_12      -0.0279231000
_diffrn_orient_matrix_UB_13      -0.0207686000
_diffrn_orient_matrix_UB_21      0.0294181000
_diffrn_orient_matrix_UB_22      0.0144158000
_diffrn_orient_matrix_UB_23      0.0180392000
_diffrn_orient_matrix_UB_31      -0.0027338000
_diffrn_orient_matrix_UB_32      -0.0122338000
_diffrn_orient_matrix_UB_33      0.0690535000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2462
_reflns_number_total             2886
_reflns_odcompleteness_completeness 99.72
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.991
_refine_diff_density_min         -1.825
_refine_diff_density_rms         0.224
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.208
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     174
_refine_ls_number_reflns         2886
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0917
_refine_ls_R_factor_gt           0.0805
_refine_ls_restrained_S_all      1.206
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0223P)²+133.1091P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1609
_refine_ls_wR_factor_ref         0.1657
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Rigid bond restraints
 C6
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
3. Uiso/Uaniso restraints and constraints
Uanis(O5) \\sim Ueq, Uanis(O6) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
4. Others
 Fixed Sof: Cl2(0.33333) Cl1(0.16667) H1WA(0.5) H1WB(0.5)
5.a Rotating group:
 O1W(H1WA,H1WB)
5.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C4(H4A,H4B), C5(H5A,H5B)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.2500 0.57046(3) 0.5000 0.00980(17) Uani 1 2 d S T P . .
Na4 Na 0.5000 0.5000 1.0000 0.104(6) Uani 1 4 d S T P . .
Cl3 Cl 0.3291(3) 0.3291(3) 1.0000 0.094(2) Uani 1 2 d S T P . .
Cl2 Cl 0.2137(7) 0.6080(8) 0.9927(19) 0.086(4) Uani 0.3333 1 d . . . . .
Cl1 Cl 0.1535(6) 0.6535(6) 1.028(2) 0.072(5) Uani 0.3333 2 d S T P . .
Na1 Na 0.42515(19) 0.57485(19) 0.4730(5) 0.0218(12) Uani 1 2 d S T P . .
Na3 Na 0.5715(4) 0.4285(4) 1.0347(12) 0.078(3) Uani 1 2 d S T P . .
Na5 Na 0.41767(16) 0.41767(16) 1.0000 0.0183(9) Uani 1 2 d S T P . .
Na6 Na 0.2500 0.2500 0.7837(14) 0.062(3) Uani 1 4 d S T P . .
Na2 Na 0.16869(18) 0.66869(18) 0.7831(6) 0.0223(11) Uani 1 2 d S T P . .
O3 O 0.3508(3) 0.5215(3) 0.6089(6) 0.0159(12) Uani 1 1 d . . . . .
O1W O 0.4891(4) 0.5109(4) 0.3458(16) 0.051(4) Uani 1 2 d S T P . .
H1WA H 0.5155 0.5332 0.2780 0.076 Uiso 0.5 1 d GR . . . .
H1WB H 0.4666 0.4796 0.2901 0.076 Uiso 0.5 1 d GR . . . .
O4 O 0.3980(3) 0.4744(4) 0.7915(8) 0.0336(19) Uani 1 1 d . . . . .
O1 O 0.1678(3) 0.5600(3) 0.6980(6) 0.0119(11) Uani 1 1 d . . . . .
O2 O 0.1308(3) 0.5086(3) 0.8887(6) 0.0195(13) Uani 1 1 d . . . . .
O5 O 0.1618(3) 0.6618(3) 0.4842(9) 0.0169(12) Uani 1 2 d S TU P . .
O6 O 0.2236(3) 0.6484(3) 0.2986(6) 0.0170(12) Uani 1 1 d . U . . .
N1 N 0.2421(3) 0.4553(3) 0.6525(7) 0.0105(13) Uani 1 1 d . . . . .
C6 C 0.1778(4) 0.6778(4) 0.3564(14) 0.015(2) Uani 1 2 d S TU P . .
C1 C 0.3501(4) 0.4893(4) 0.7216(8) 0.0110(15) Uani 1 1 d . . . . .
C2 C 0.2859(4) 0.4652(4) 0.7719(9) 0.0164(16) Uani 1 1 d . . . . .
H2A H 0.2917 0.4246 0.8229 0.020 Uiso 1 1 calc R . . . .
H2B H 0.2671 0.4965 0.8376 0.020 Uiso 1 1 calc R . . . .
C3 C 0.1564(4) 0.5102(4) 0.7707(8) 0.0106(14) Uani 1 1 d . . . . .
C4 C 0.1773(4) 0.4473(4) 0.7037(9) 0.0143(16) Uani 1 1 d . . . . .
H4A H 0.1757 0.4126 0.7737 0.017 Uiso 1 1 calc R . . . .
H4B H 0.1486 0.4362 0.6252 0.017 Uiso 1 1 calc R . . . .
C5 C 0.2634(3) 0.3974(4) 0.5740(9) 0.0141(17) Uani 1 1 d . . . . .
H5A H 0.2489 0.3588 0.6240 0.017 Uiso 1 1 calc R . . . .
H5B H 0.3104 0.3965 0.5700 0.017 Uiso 1 1 calc R . . . .


_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 O3 2.574(6) . ?
La1 O3 2.574(6) 5_556 ?
La1 O1 2.570(6) 5_556 ?
La1 O1 2.571(6) . ?
La1 O5 2.6735(7) . ?
La1 O5 2.6735(7) 12_666 ?
La1 O6 2.586(6) . ?
La1 O6 2.586(6) 5_556 ?
La1 N1 2.829(6) . ?
La1 N1 2.829(6) 5_556 ?
La1 C6 3.046(6) . ?
La1 C6 3.046(6) 12_666 ?
Na4 Na3 2.152(11) 9_667 ?
Na4 Na3 2.152(11) . ?
Na4 Na5 2.448(5) . ?
Na4 Na5 2.448(5) 9_667 ?
Na4 O4 2.974(7) . ?
Na4 O4 2.974(7) 15_665 ?
Na4 O4 2.974(7) 9_667 ?
Na4 O4 2.974(7) 7_557 ?
Na4 O2 2.954(6) 12_667 ?
Na4 O2 2.954(6) 13_665 ?
Na4 O2 2.954(6) 5_557 ?
Na4 O2 2.954(6) 4 ?
Cl3 Na5 2.632(10) . ?
Cl3 Na6 3.130(11) 5_557 ?
Cl3 Na6 3.130(11) . ?
Cl2 Cl2 1.53(3) 5_557 ?
Cl2 Cl1 1.622(16) . ?
Cl2 Na3 3.111(18) 3 ?
Cl2 Na2 2.555(18) . ?
Cl1 Cl2 1.622(16) 16_565 ?
Cl1 Na3 2.44(2) 3 ?
Cl1 Na2 2.38(2) . ?
Na1 La1 3.692(4) 12_666 ?
Na1 Na2 3.709(8) 12_666 ?
Na1 O3 2.320(6) 15_665 ?
Na1 O3 2.320(6) . ?
Na1 O1W 2.255(13) . ?
Na1 O1 2.565(7) 12_666 ?
Na1 O1 2.565(7) 5_556 ?
Na1 O5 2.616(10) 12_666 ?
Na3 Cl2 3.111(18) 13_665 ?
Na3 Cl2 3.111(18) 4 ?
Na3 Cl1 2.44(2) 4 ?
Na3 Na5 3.259(8) . ?
Na3 Na5 3.259(8) 9_667 ?
Na3 Na2 3.757(13) 4 ?
Na3 O4 2.707(12) 9_667 ?
Na3 O4 2.707(12) 7_557 ?
Na3 O2 2.291(9) 13_665 ?
Na3 O2 2.291(9) 4 ?
Na5 Na3 3.259(8) 9_667 ?
Na5 O4 2.357(7) 7_557 ?
Na5 O4 2.357(7) . ?
Na5 O2 2.412(6) 4 ?
Na5 O2 2.412(6) 5_557 ?
Na6 Cl3 3.130(11) 3 ?
Na6 Cl3 3.130(11) 2 ?
Na6 Cl3 3.130(11) 4 ?
Na6 Na6 4.13(3) 5_557 ?
Na2 La1 3.806(4) 11_566 ?
Na2 Cl2 2.555(18) 16_565 ?
Na2 Na1 3.709(8) 11_566 ?
Na2 Na3 3.757(13) 3 ?
Na2 O1 2.426(7) . ?
Na2 O1 2.426(7) 16_565 ?
Na2 O5 2.860(11) . ?
Na2 O6 2.432(7) 11_566 ?
Na2 O6 2.432(7) 5_556 ?
O3 C1 1.271(10) . ?
O1W H1WA 0.9729 . ?
O1W H1WB 0.9689 . ?
O4 Na3 2.707(12) 9_667 ?
O4 C1 1.248(10) . ?
O1 Na1 2.564(7) 11_566 ?
O1 C3 1.279(9) . ?
O2 Na4 2.954(6) 3 ?
O2 Na3 2.291(9) 3 ?
O2 Na5 2.412(6) 3 ?
O2 C3 1.248(10) . ?
O5 La1 2.6735(7) 11_566 ?
O5 Na1 2.616(10) 11_566 ?
O5 C6 1.310(15) . ?
O6 Na2 2.432(7) 12_666 ?
O6 C6 1.270(8) . ?
N1 C2 1.480(10) . ?
N1 C4 1.456(10) . ?
N1 C5 1.499(10) . ?
C6 La1 3.046(6) 11_566 ?
C6 O6 1.270(8) 16_565 ?
C1 C2 1.518(11) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.532(11) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C5 1.521(17) 5_556 ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?

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
O3 La1 O3 132.9(3) . 5_556 ?
O3 La1 O5 72.1(2) . 12_666 ?
O3 La1 O5 151.7(2) 5_556 12_666 ?
O3 La1 O5 72.1(2) 5_556 . ?
O3 La1 O5 151.7(2) . . ?
O3 La1 O6 77.1(2) . 5_556 ?
O3 La1 O6 136.87(18) . . ?
O3 La1 O6 136.87(18) 5_556 5_556 ?
O3 La1 O6 77.1(2) 5_556 . ?
O3 La1 N1 79.5(2) 5_556 . ?
O3 La1 N1 59.91(19) 5_556 5_556 ?
O3 La1 N1 79.5(2) . 5_556 ?
O3 La1 N1 59.91(19) . . ?
O3 La1 C6 72.8(3) . 12_666 ?
O3 La1 C6 72.8(3) 5_556 . ?
O3 La1 C6 152.6(3) . . ?
O3 La1 C6 152.6(3) 5_556 12_666 ?
O1 La1 O3 102.84(18) 5_556 5_556 ?
O1 La1 O3 73.09(19) 5_556 . ?
O1 La1 O3 73.09(19) . 5_556 ?
O1 La1 O3 102.84(18) . . ?
O1 La1 O1 170.1(3) 5_556 . ?
O1 La1 O5 119.1(2) 5_556 . ?
O1 La1 O5 68.7(2) . . ?
O1 La1 O5 119.1(2) . 12_666 ?
O1 La1 O5 68.7(2) 5_556 12_666 ?
O1 La1 O6 117.18(18) 5_556 5_556 ?
O1 La1 O6 69.65(18) 5_556 . ?
O1 La1 O6 69.65(18) . 5_556 ?
O1 La1 O6 117.17(18) . . ?
O1 La1 N1 60.57(18) 5_556 5_556 ?
O1 La1 N1 110.14(19) . 5_556 ?
O1 La1 N1 110.14(19) 5_556 . ?
O1 La1 N1 60.57(18) . . ?
O1 La1 C6 93.4(2) 5_556 12_666 ?
O1 La1 C6 93.9(2) 5_556 . ?
O1 La1 C6 93.9(2) . 12_666 ?
O1 La1 C6 93.4(2) . . ?
O5 La1 O5 88.2(4) . 12_666 ?
O5 La1 N1 127.0(2) 12_666 5_556 ?
O5 La1 N1 128.8(2) 12_666 . ?
O5 La1 N1 128.8(2) . 5_556 ?
O5 La1 N1 127.0(2) . . ?
O5 La1 C6 25.4(3) . . ?
O5 La1 C6 80.7(3) 12_666 . ?
O5 La1 C6 80.7(3) . 12_666 ?
O5 La1 C6 25.4(3) 12_666 12_666 ?
O6 La1 O5 49.8(2) 5_556 12_666 ?
O6 La1 O5 74.7(2) 5_556 . ?
O6 La1 O5 49.8(2) . . ?
O6 La1 O5 74.7(2) . 12_666 ?
O6 La1 O6 101.4(3) 5_556 . ?
O6 La1 N1 155.77(19) . . ?
O6 La1 N1 99.91(19) 5_556 . ?
O6 La1 N1 155.77(19) 5_556 5_556 ?
O6 La1 N1 99.91(19) . 5_556 ?
O6 La1 C6 24.4(2) . . ?
O6 La1 C6 88.4(3) . 12_666 ?
O6 La1 C6 88.4(3) 5_556 . ?
O6 La1 C6 24.4(2) 5_556 12_666 ?
N1 La1 N1 62.4(3) . 5_556 ?
N1 La1 C6 146.8(3) . . ?
N1 La1 C6 115.6(3) 5_556 . ?
N1 La1 C6 115.6(3) . 12_666 ?
N1 La1 C6 146.8(3) 5_556 12_666 ?
C6 La1 C6 84.3(5) . 12_666 ?
Na3 Na4 Na3 180.0 . 9_667 ?
Na3 Na4 Na5 90.000(2) . . ?
Na3 Na4 Na5 90.000(2) 9_667 9_667 ?
Na3 Na4 Na5 90.000(2) 9_667 . ?
Na3 Na4 Na5 90.000(2) . 9_667 ?
Na3 Na4 O4 61.3(3) 9_667 15_665 ?
Na3 Na4 O4 61.3(3) . 7_557 ?
Na3 Na4 O4 118.7(3) . 15_665 ?
Na3 Na4 O4 61.3(3) 9_667 . ?
Na3 Na4 O4 118.7(3) 9_667 7_557 ?
Na3 Na4 O4 61.3(3) . 9_667 ?
Na3 Na4 O4 118.7(3) 9_667 9_667 ?
Na3 Na4 O4 118.7(3) . . ?
Na3 Na4 O2 50.4(2) . 4 ?
Na3 Na4 O2 129.6(2) . 5_557 ?
Na3 Na4 O2 129.6(2) . 12_667 ?
Na3 Na4 O2 129.6(2) 9_667 4 ?
Na3 Na4 O2 50.4(2) 9_667 12_667 ?
Na3 Na4 O2 50.4(2) . 13_665 ?
Na3 Na4 O2 129.6(2) 9_667 13_665 ?
Na3 Na4 O2 50.4(2) 9_667 5_557 ?
Na5 Na4 Na5 180.0 9_667 . ?
Na5 Na4 O4 129.61(14) 9_667 7_557 ?
Na5 Na4 O4 129.61(14) 9_667 . ?
Na5 Na4 O4 50.39(14) . . ?
Na5 Na4 O4 50.39(14) . 7_557 ?
Na5 Na4 O4 129.61(14) . 15_665 ?
Na5 Na4 O4 50.39(14) 9_667 15_665 ?
Na5 Na4 O4 129.61(14) . 9_667 ?
Na5 Na4 O4 50.39(14) 9_667 9_667 ?
Na5 Na4 O2 52.03(12) 9_667 13_665 ?
Na5 Na4 O2 127.97(12) . 12_667 ?
Na5 Na4 O2 52.03(12) . 5_557 ?
Na5 Na4 O2 127.97(12) 9_667 5_557 ?
Na5 Na4 O2 52.03(12) . 4 ?
Na5 Na4 O2 127.97(12) 9_667 4 ?
Na5 Na4 O2 52.03(12) 9_667 12_667 ?
Na5 Na4 O2 127.97(12) . 13_665 ?
O4 Na4 O4 100.8(3) . 7_557 ?
O4 Na4 O4 100.8(3) 9_667 15_665 ?
O4 Na4 O4 79.2(3) . 15_665 ?
O4 Na4 O4 79.2(3) 9_667 7_557 ?
O4 Na4 O4 180.0 . 9_667 ?
O4 Na4 O4 180.00(18) 7_557 15_665 ?
O2 Na4 O4 111.4(2) 13_665 7_557 ?
O2 Na4 O4 65.2(2) 12_667 15_665 ?
O2 Na4 O4 65.2(2) 5_557 . ?
O2 Na4 O4 68.6(2) 5_557 7_557 ?
O2 Na4 O4 68.6(2) 13_665 15_665 ?
O2 Na4 O4 111.4(2) 12_667 . ?
O2 Na4 O4 65.2(2) 4 7_557 ?
O2 Na4 O4 68.6(2) 4 . ?
O2 Na4 O4 114.8(2) 4 15_665 ?
O2 Na4 O4 114.8(2) 13_665 . ?
O2 Na4 O4 111.4(2) 5_557 15_665 ?
O2 Na4 O4 111.4(2) 4 9_667 ?
O2 Na4 O4 114.8(2) 12_667 7_557 ?
O2 Na4 O4 65.2(2) 13_665 9_667 ?
O2 Na4 O4 114.8(2) 5_557 9_667 ?
O2 Na4 O4 68.6(2) 12_667 9_667 ?
O2 Na4 O2 180.0 13_665 5_557 ?
O2 Na4 O2 75.9(2) 12_667 5_557 ?
O2 Na4 O2 104.1(2) 4 5_557 ?
O2 Na4 O2 104.1(2) 12_667 13_665 ?
O2 Na4 O2 75.9(2) 4 13_665 ?
O2 Na4 O2 180.0 12_667 4 ?
Na5 Cl3 Na6 138.7(2) . . ?
Na5 Cl3 Na6 138.7(2) . 5_557 ?
Na6 Cl3 Na6 82.5(4) . 5_557 ?
Cl2 Cl2 Cl1 139.2(11) 5_557 . ?
Cl2 Cl2 Na3 160.9(12) 5_557 3 ?
Cl2 Cl2 Na2 116.1(14) 5_557 . ?
Cl1 Cl2 Na3 50.9(8) . 3 ?
Cl1 Cl2 Na2 65.2(9) . . ?
Na2 Cl2 Na3 82.4(4) . 3 ?
Cl2 Cl1 Cl2 151.2(19) 16_565 . ?
Cl2 Cl1 Na3 98.0(8) 16_565 3 ?
Cl2 Cl1 Na3 98.0(8) . 3 ?
Cl2 Cl1 Na2 76.6(9) 16_565 . ?
Cl2 Cl1 Na2 76.6(9) . . ?
Na2 Cl1 Na3 102.3(7) . 3 ?
La1 Na1 La1 92.58(13) . 12_666 ?
La1 Na1 Na2 61.89(10) . 12_666 ?
La1 Na1 Na2 61.89(10) 12_666 12_666 ?
O3 Na1 La1 43.69(16) . . ?
O3 Na1 La1 117.4(2) . 12_666 ?
O3 Na1 La1 117.4(2) 15_665 . ?
O3 Na1 La1 43.69(16) 15_665 12_666 ?
O3 Na1 Na2 105.5(2) 15_665 12_666 ?
O3 Na1 Na2 105.5(2) . 12_666 ?
O3 Na1 O3 109.8(4) 15_665 . ?
O3 Na1 O1 77.5(2) 15_665 12_666 ?
O3 Na1 O1 143.7(3) 15_665 5_556 ?
O3 Na1 O1 143.7(3) . 12_666 ?
O3 Na1 O1 77.5(2) . 5_556 ?
O3 Na1 O5 77.3(2) . 12_666 ?
O3 Na1 O5 77.3(2) 15_665 12_666 ?
O1W Na1 La1 128.08(18) . . ?
O1W Na1 La1 128.08(18) . 12_666 ?
O1W Na1 Na2 106.2(4) . 12_666 ?
O1W Na1 O3 114.5(3) . 15_665 ?
O1W Na1 O3 114.5(3) . . ?
O1W Na1 O1 92.2(4) . 12_666 ?
O1W Na1 O1 92.2(4) . 5_556 ?
O1W Na1 O5 156.4(5) . 12_666 ?
O1 Na1 La1 44.09(14) 5_556 . ?
O1 Na1 La1 100.7(2) 12_666 . ?
O1 Na1 La1 100.7(2) 5_556 12_666 ?
O1 Na1 La1 44.09(14) 12_666 12_666 ?
O1 Na1 Na2 40.58(15) 12_666 12_666 ?
O1 Na1 Na2 40.58(15) 5_556 12_666 ?
O1 Na1 O1 77.3(3) 5_556 12_666 ?
O1 Na1 O5 69.7(2) 5_556 12_666 ?
O1 Na1 O5 69.7(2) 12_666 12_666 ?
O5 Na1 La1 46.38(7) 12_666 12_666 ?
O5 Na1 La1 46.37(7) 12_666 . ?
O5 Na1 Na2 50.2(2) 12_666 12_666 ?
Na4 Na3 Cl2 145.4(4) . 13_665 ?
Na4 Na3 Cl2 145.4(4) . 4 ?
Na4 Na3 Cl1 169.7(7) . 4 ?
Na4 Na3 Na5 48.68(15) . 9_667 ?
Na4 Na3 Na5 48.68(15) . . ?
Na4 Na3 Na2 131.4(4) . 4 ?
Na4 Na3 O4 74.5(3) . 7_557 ?
Na4 Na3 O4 74.5(3) . 9_667 ?
Na4 Na3 O2 83.3(3) . 13_665 ?
Na4 Na3 O2 83.3(3) . 4 ?
Cl2 Na3 Cl2 60.7(6) 4 13_665 ?
Cl2 Na3 Na5 99.5(3) 4 . ?
Cl2 Na3 Na5 157.4(4) 13_665 . ?
Cl2 Na3 Na5 157.4(4) 4 9_667 ?
Cl2 Na3 Na5 99.5(3) 13_665 9_667 ?
Cl2 Na3 Na2 42.4(4) 13_665 4 ?
Cl2 Na3 Na2 42.4(4) 4 4 ?
Cl1 Na3 Cl2 31.1(3) 4 4 ?
Cl1 Na3 Cl2 31.1(3) 4 13_665 ?
Cl1 Na3 Na5 130.52(19) 4 9_667 ?
Cl1 Na3 Na5 130.52(19) 4 . ?
Cl1 Na3 Na2 38.3(5) 4 4 ?
Cl1 Na3 O4 112.4(4) 4 7_557 ?
Cl1 Na3 O4 112.4(4) 4 9_667 ?
Na5 Na3 Na5 97.4(3) 9_667 . ?
Na5 Na3 Na2 115.9(2) 9_667 4 ?
Na5 Na3 Na2 115.9(2) . 4 ?
O4 Na3 Cl2 92.1(4) 7_557 4 ?
O4 Na3 Cl2 138.2(5) 9_667 4 ?
O4 Na3 Cl2 92.1(4) 9_667 13_665 ?
O4 Na3 Cl2 138.2(5) 7_557 13_665 ?
O4 Na3 Na5 45.37(18) 9_667 9_667 ?
O4 Na3 Na5 45.37(18) 7_557 . ?
O4 Na3 Na5 110.5(4) 7_557 9_667 ?
O4 Na3 Na5 110.5(4) 9_667 . ?
O4 Na3 Na2 132.3(2) 9_667 4 ?
O4 Na3 Na2 132.3(2) 7_557 4 ?
O4 Na3 O4 89.0(5) 9_667 7_557 ?
O2 Na3 Cl2 62.7(4) 4 4 ?
O2 Na3 Cl2 110.0(5) 4 13_665 ?
O2 Na3 Cl2 110.0(5) 13_665 4 ?
O2 Na3 Cl2 62.7(4) 13_665 13_665 ?
O2 Na3 Cl1 90.5(5) 4 4 ?
O2 Na3 Cl1 90.5(5) 13_665 4 ?
O2 Na3 Na5 121.2(4) 13_665 . ?
O2 Na3 Na5 47.7(2) 13_665 9_667 ?
O2 Na3 Na5 121.2(4) 4 9_667 ?
O2 Na3 Na5 47.7(2) 4 . ?
O2 Na3 Na2 68.2(3) 13_665 4 ?
O2 Na3 Na2 68.2(3) 4 4 ?
O2 Na3 O4 78.9(2) 4 7_557 ?
O2 Na3 O4 78.9(2) 13_665 9_667 ?
O2 Na3 O4 156.9(5) 4 9_667 ?
O2 Na3 O4 156.9(5) 13_665 7_557 ?
O2 Na3 O2 105.0(6) 4 13_665 ?
Na4 Na5 Cl3 180.0(2) . . ?
Na4 Na5 Na3 41.32(15) . 9_667 ?
Na4 Na5 Na3 41.32(15) . . ?
Cl3 Na5 Na3 138.68(15) . . ?
Cl3 Na5 Na3 138.68(15) . 9_667 ?
Na3 Na5 Na3 82.6(3) . 9_667 ?
O4 Na5 Na4 76.5(2) . . ?
O4 Na5 Na4 76.5(2) 7_557 . ?
O4 Na5 Cl3 103.5(2) . . ?
O4 Na5 Cl3 103.5(2) 7_557 . ?
O4 Na5 Na3 54.8(3) . 9_667 ?
O4 Na5 Na3 103.0(3) 7_557 9_667 ?
O4 Na5 Na3 103.0(3) . . ?
O4 Na5 Na3 54.8(3) 7_557 . ?
O4 Na5 O4 152.9(4) 7_557 . ?
O4 Na5 O2 88.9(3) . 4 ?
O4 Na5 O2 84.1(3) 7_557 4 ?
O4 Na5 O2 84.1(3) . 5_557 ?
O4 Na5 O2 88.9(3) 7_557 5_557 ?
O2 Na5 Na4 74.86(19) 4 . ?
O2 Na5 Na4 74.86(19) 5_557 . ?
O2 Na5 Cl3 105.14(19) 4 . ?
O2 Na5 Cl3 105.14(19) 5_557 . ?
O2 Na5 Na3 44.6(2) 5_557 9_667 ?
O2 Na5 Na3 108.6(3) 4 9_667 ?
O2 Na5 Na3 44.6(2) 4 . ?
O2 Na5 Na3 108.6(3) 5_557 . ?
O2 Na5 O2 149.7(4) 5_557 4 ?
Cl3 Na6 Cl3 97.5(4) 4 3 ?
Cl3 Na6 Cl3 64.2(2) 4 . ?
Cl3 Na6 Cl3 64.2(2) 4 2 ?
Cl3 Na6 Cl3 97.5(4) 2 . ?
Cl3 Na6 Cl3 64.2(2) 3 2 ?
Cl3 Na6 Cl3 64.2(2) 3 . ?
Cl3 Na6 Na6 48.7(2) 2 5_557 ?
Cl3 Na6 Na6 48.7(2) 4 5_557 ?
Cl3 Na6 Na6 48.7(2) . 5_557 ?
Cl3 Na6 Na6 48.7(2) 3 5_557 ?
La1 Na2 La1 89.05(12) . 11_566 ?
Cl2 Na2 La1 96.8(4) 16_565 11_566 ?
Cl2 Na2 La1 168.9(4) 16_565 . ?
Cl2 Na2 La1 168.9(4) . 11_566 ?
Cl2 Na2 La1 96.8(4) . . ?
Cl2 Na2 Cl2 75.9(8) . 16_565 ?
Cl2 Na2 Na1 116.6(4) . 11_566 ?
Cl2 Na2 Na1 116.6(4) 16_565 11_566 ?
Cl2 Na2 Na3 55.2(4) . 3 ?
Cl2 Na2 Na3 55.2(4) 16_565 3 ?
Cl2 Na2 O5 140.8(4) 16_565 . ?
Cl2 Na2 O5 140.8(4) . . ?
Cl1 Na2 La1 133.20(14) . 11_566 ?
Cl1 Na2 La1 133.20(14) . . ?
Cl1 Na2 Cl2 38.2(4) . . ?
Cl1 Na2 Cl2 38.2(4) . 16_565 ?
Cl1 Na2 Na1 120.3(5) . 11_566 ?
Cl1 Na2 Na3 39.4(5) . 3 ?
Cl1 Na2 O1 101.6(4) . . ?
Cl1 Na2 O1 101.6(4) . 16_565 ?
Cl1 Na2 O5 165.0(5) . . ?
Cl1 Na2 O6 114.6(3) . 5_556 ?
Cl1 Na2 O6 114.6(3) . 11_566 ?
Na1 Na2 La1 58.83(9) 11_566 . ?
Na1 Na2 La1 58.83(9) 11_566 11_566 ?
Na1 Na2 Na3 81.0(2) 11_566 3 ?
Na3 Na2 La1 113.77(15) 3 . ?
Na3 Na2 La1 113.77(15) 3 11_566 ?
O1 Na2 La1 100.4(2) . 11_566 ?
O1 Na2 La1 100.4(2) 16_565 . ?
O1 Na2 La1 41.81(15) 16_565 11_566 ?
O1 Na2 La1 41.81(15) . . ?
O1 Na2 Cl2 78.1(4) . . ?
O1 Na2 Cl2 127.4(4) 16_565 . ?
O1 Na2 Cl2 127.4(4) . 16_565 ?
O1 Na2 Cl2 78.1(4) 16_565 16_565 ?
O1 Na2 Na1 43.44(17) . 11_566 ?
O1 Na2 Na1 43.44(16) 16_565 11_566 ?
O1 Na2 Na3 72.4(2) . 3 ?
O1 Na2 Na3 72.4(2) 16_565 3 ?
O1 Na2 O1 82.7(3) 16_565 . ?
O1 Na2 O5 67.5(2) . . ?
O1 Na2 O5 67.5(2) 16_565 . ?
O1 Na2 O6 74.6(2) . 5_556 ?
O1 Na2 O6 140.2(3) . 11_566 ?
O1 Na2 O6 74.6(2) 16_565 11_566 ?
O1 Na2 O6 140.2(3) 16_565 5_556 ?
O5 Na2 La1 44.54(6) . 11_566 ?
O5 Na2 La1 44.54(6) . . ?
O5 Na2 Na1 44.6(2) . 11_566 ?
O5 Na2 Na3 125.6(3) . 3 ?
O6 Na2 La1 110.9(2) 11_566 . ?
O6 Na2 La1 42.20(16) 5_556 . ?
O6 Na2 La1 42.20(16) 11_566 11_566 ?
O6 Na2 La1 110.9(2) 5_556 11_566 ?
O6 Na2 Cl2 141.3(4) 11_566 . ?
O6 Na2 Cl2 141.3(4) 5_556 16_565 ?
O6 Na2 Cl2 79.6(4) 5_556 . ?
O6 Na2 Cl2 79.6(4) 11_566 16_565 ?
O6 Na2 Na1 101.0(2) 11_566 11_566 ?
O6 Na2 Na1 101.0(2) 5_556 11_566 ?
O6 Na2 Na3 128.00(18) 11_566 3 ?
O6 Na2 Na3 128.00(18) 5_556 3 ?
O6 Na2 O5 73.7(2) 11_566 . ?
O6 Na2 O5 73.7(2) 5_556 . ?
O6 Na2 O6 102.9(3) 11_566 5_556 ?
Na1 O3 La1 97.8(3) . . ?
C1 O3 La1 123.0(5) . . ?
C1 O3 Na1 137.6(5) . . ?
Na1 O1W H1WA 114.4 . . ?
Na1 O1W H1WB 114.2 . . ?
H1WA O1W H1WB 103.9 . . ?
Na3 O4 Na4 44.2(2) 9_667 . ?
Na5 O4 Na4 53.14(18) . . ?
Na5 O4 Na3 79.8(3) . 9_667 ?
C1 O4 Na4 153.5(7) . . ?
C1 O4 Na3 109.3(7) . 9_667 ?
C1 O4 Na5 136.0(6) . . ?
Na1 O1 La1 91.9(2) 11_566 . ?
Na2 O1 La1 99.2(2) . . ?
Na2 O1 Na1 96.0(2) . 11_566 ?
C3 O1 La1 126.5(5) . . ?
C3 O1 Na1 107.6(5) . 11_566 ?
C3 O1 Na2 126.2(5) . . ?
Na3 O2 Na4 46.4(3) 3 3 ?
Na3 O2 Na5 87.7(4) 3 3 ?
Na5 O2 Na4 53.12(16) 3 3 ?
C3 O2 Na4 136.6(6) . 3 ?
C3 O2 Na3 140.1(6) . 3 ?
C3 O2 Na5 126.9(6) . 3 ?
La1 O5 La1 173.2(4) . 11_566 ?
La1 O5 Na2 86.85(19) . . ?
La1 O5 Na2 86.85(19) 11_566 . ?
Na1 O5 La1 88.53(18) 11_566 11_566 ?
Na1 O5 La1 88.53(18) 11_566 . ?
Na1 O5 Na2 85.1(3) 11_566 . ?
C6 O5 La1 93.37(19) . . ?
C6 O5 La1 93.37(19) . 11_566 ?
C6 O5 Na1 120.3(8) . 11_566 ?
C6 O5 Na2 154.5(8) . . ?
Na2 O6 La1 98.6(2) 12_666 . ?
C6 O6 La1 98.5(6) . . ?
C6 O6 Na2 139.4(7) . 12_666 ?
C2 N1 La1 103.9(5) . . ?
C2 N1 C5 108.3(6) . . ?
C4 N1 La1 109.1(5) . . ?
C4 N1 C2 109.9(6) . . ?
C4 N1 C5 110.7(6) . . ?
C5 N1 La1 114.9(5) . . ?
La1 C6 La1 122.4(4) . 11_566 ?
O5 C6 La1 61.2(2) . 11_566 ?
O5 C6 La1 61.2(2) . . ?
O6 C6 La1 57.1(4) . . ?
O6 C6 La1 178.5(9) . 11_566 ?
O6 C6 La1 57.1(4) 16_565 11_566 ?
O6 C6 La1 178.5(9) 16_565 . ?
O6 C6 O5 118.3(6) 16_565 . ?
O6 C6 O5 118.3(6) . . ?
O6 C6 O6 123.4(11) . 16_565 ?
O3 C1 C2 117.1(7) . . ?
O4 C1 O3 125.2(8) . . ?
O4 C1 C2 117.7(7) . . ?
N1 C2 C1 110.8(7) . . ?
N1 C2 H2A 109.5 . . ?
N1 C2 H2B 109.5 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 108.1 . . ?
O1 C3 C4 115.2(7) . . ?
O2 C3 O1 126.3(8) . . ?
O2 C3 C4 118.5(7) . . ?
N1 C4 C3 108.0(6) . . ?
N1 C4 H4A 110.1 . . ?
N1 C4 H4B 110.1 . . ?
C3 C4 H4A 110.1 . . ?
C3 C4 H4B 110.1 . . ?
H4A C4 H4B 108.4 . . ?
N1 C5 C5 110.7(5) . 5_556 ?
N1 C5 H5A 109.5 . . ?
N1 C5 H5B 109.5 . . ?
C5 C5 H5A 109.5 5_556 . ?
C5 C5 H5B 109.5 5_556 . ?
H5A C5 H5B 108.1 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.039
_oxdiff_exptl_absorpt_empirical_full_min 0.952
####################################################################### 
# 
# 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_r
_database_code_depnum_ccdc_archive 'CCDC 1884398'
_audit_update_record             
;
2018-12-11 deposited with the CCDC.
2019-01-29 downloaded from the CCDC.
;
_audit_creation_date             2017-06-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(C240 H288 K48 La16 N32 O252), 4(O)'
_chemical_formula_sum            'C60 H118 K12 La4 N8 O67'
_chemical_formula_weight         3048.46
_chemical_melting_point          ?
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'
K K 0.2009 0.2494 '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'
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   32.8933(10)
_cell_length_b                   9.4679(4)
_cell_length_c                   34.2291(14)
_cell_angle_alpha                90
_cell_angle_beta                 102.532(4)
_cell_angle_gamma                90
_cell_volume                     10406.0(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    173.15
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_shelx_estimated_absorpt_T_max   0.898
_shelx_estimated_absorpt_T_min   0.473
_exptl_absorpt_coefficient_mu    2.202
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.92938
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.946
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6104
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0550
_diffrn_reflns_av_unetI/netI     0.0722
_diffrn_reflns_Laue_measured_fraction_full 0.951
_diffrn_reflns_Laue_measured_fraction_max 0.951
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            23750
_diffrn_reflns_point_group_measured_fraction_full 0.951
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         3.115
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.951
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6855
_reflns_number_total             8712
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         1.602
_refine_diff_density_min         -1.351
_refine_diff_density_rms         0.153
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     681
_refine_ls_number_reflns         8712
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0970
_refine_ls_R_factor_gt           0.0748
_refine_ls_restrained_S_all      1.096
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0331P)²+256.5792P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1435
_refine_ls_wR_factor_ref         0.1529
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O22) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.01
3.a Ternary CH refined with riding coordinates:
 C19(H19), C20(H20), C29(H29), C30(H30)
3.b Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B), C13(H13A,H13B), C15(H15A,H15B), C17(H17A,H17B), C21(H21A,
 H21B), C23(H23A,H23B), C25(H25A,H25B), C27(H27A,H27B), C31(H31A,H31B),
 C32(H32A,H32B), C33(H33A,H33B), C34(H34A,H34B), C35(H35A,H35B), C36(H36A,H36B),
  C37(H37A,H37B), C38(H38A,H38B)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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 0.56927(2) 0.51641(6) 0.16578(2) 0.02609(16) Uani 1 1 d . . . . .
La2 La 0.39343(2) 0.51475(6) 0.16179(2) 0.02316(16) Uani 1 1 d . . . . .
C1 C 0.4834(3) 0.3957(11) 0.1758(3) 0.028(2) Uani 1 1 d . . . . .
C2 C 0.4242(3) 0.6285(12) 0.2478(3) 0.037(3) Uani 1 1 d . . . . .
C11 C 0.5778(3) 0.7511(11) 0.0843(3) 0.031(2) Uani 1 1 d . . . . .
H11A H 0.5663 0.6869 0.0617 0.037 Uiso 1 1 calc R . . . .
H11B H 0.5906 0.8328 0.0735 0.037 Uiso 1 1 calc R . . . .
C12 C 0.5429(3) 0.8022(14) 0.1034(4) 0.048(3) Uani 1 1 d . . . . .
C13 C 0.6331(3) 0.7788(10) 0.1422(3) 0.025(2) Uani 1 1 d . . . . .
H13A H 0.6134 0.8466 0.1500 0.031 Uiso 1 1 calc R . . . .
H13B H 0.6522 0.8325 0.1289 0.031 Uiso 1 1 calc R . . . .
C14 C 0.6583(3) 0.7066(11) 0.1796(3) 0.028(2) Uani 1 1 d . . . . .
C15 C 0.6477(3) 0.2955(11) 0.1381(3) 0.027(2) Uani 1 1 d . . . . .
H15A H 0.6713 0.3626 0.1436 0.033 Uiso 1 1 calc R . . . .
H15B H 0.6558 0.2143 0.1232 0.033 Uiso 1 1 calc R . . . .
C16 C 0.6390(4) 0.2442(13) 0.1773(3) 0.044(3) Uani 1 1 d . . . . .
C17 C 0.5793(3) 0.2588(11) 0.0961(3) 0.027(2) Uani 1 1 d . . . . .
H17A H 0.5767 0.1891 0.1169 0.033 Uiso 1 1 calc R . . . .
H17B H 0.5882 0.2078 0.0741 0.033 Uiso 1 1 calc R . . . .
C18 C 0.5375(3) 0.3278(12) 0.0802(3) 0.032(3) Uani 1 1 d . . . . .
C19 C 0.6402(3) 0.5938(11) 0.0956(3) 0.026(2) Uani 1 1 d . . . . .
H19 H 0.6655 0.5758 0.1171 0.031 Uiso 1 1 calc R . . . .
C20 C 0.6224(3) 0.4511(10) 0.0802(3) 0.024(2) Uani 1 1 d . . . . .
H20 H 0.5961 0.4691 0.0600 0.029 Uiso 1 1 calc R . . . .
C21 C 0.3477(3) 0.7497(10) 0.0807(3) 0.027(2) Uani 1 1 d . . . . .
H21A H 0.3301 0.8321 0.0703 0.032 Uiso 1 1 calc R . . . .
H21B H 0.3485 0.6861 0.0579 0.032 Uiso 1 1 calc R . . . .
C22 C 0.3912(3) 0.7993(13) 0.0990(4) 0.049(3) Uani 1 1 d . . . . .
C23 C 0.3191(3) 0.7797(10) 0.1383(3) 0.028(2) Uani 1 1 d . . . . .
H23A H 0.2943 0.8349 0.1252 0.034 Uiso 1 1 calc R . . . .
H23B H 0.3427 0.8457 0.1465 0.034 Uiso 1 1 calc R . . . .
C24 C 0.3103(3) 0.7041(10) 0.1752(3) 0.025(2) Uani 1 1 d . . . . .
C25 C 0.3026(3) 0.2922(11) 0.1325(3) 0.027(2) Uani 1 1 d . . . . .
H25A H 0.2886 0.2096 0.1176 0.032 Uiso 1 1 calc R . . . .
H25B H 0.2807 0.3571 0.1374 0.032 Uiso 1 1 calc R . . . .
C26 C 0.3280(3) 0.2426(11) 0.1721(3) 0.030(2) Uani 1 1 d . . . . .
C27 C 0.3517(3) 0.2605(10) 0.0900(3) 0.026(2) Uani 1 1 d . . . . .
H27A H 0.3333 0.2109 0.0675 0.031 Uiso 1 1 calc R . . . .
H27B H 0.3635 0.1894 0.1106 0.031 Uiso 1 1 calc R . . . .
C28 C 0.3868(3) 0.3313(11) 0.0751(3) 0.029(2) Uani 1 1 d . . . . .
C29 C 0.2905(3) 0.5945(10) 0.0912(3) 0.021(2) Uani 1 1 d . . . . .
H29 H 0.2756 0.5737 0.1131 0.026 Uiso 1 1 calc R . . . .
C30 C 0.3009(3) 0.4514(9) 0.0750(3) 0.021(2) Uani 1 1 d . . . . .
H30 H 0.3182 0.4710 0.0549 0.025 Uiso 1 1 calc R . . . .
C31 C 0.6543(3) 0.6769(11) 0.0620(3) 0.035(3) Uani 1 1 d . . . . .
H31A H 0.6294 0.7030 0.0413 0.042 Uiso 1 1 calc R . . . .
H31B H 0.6680 0.7654 0.0733 0.042 Uiso 1 1 calc R . . . .
C32 C 0.6843(3) 0.5933(12) 0.0423(3) 0.037(3) Uani 1 1 d . . . . .
H32A H 0.6917 0.6499 0.0206 0.044 Uiso 1 1 calc R . . . .
H32B H 0.7102 0.5727 0.0624 0.044 Uiso 1 1 calc R . . . .
C33 C 0.6642(3) 0.4573(12) 0.0256(3) 0.037(3) Uani 1 1 d . . . . .
H33A H 0.6837 0.4027 0.0132 0.044 Uiso 1 1 calc R . . . .
H33B H 0.6390 0.4779 0.0047 0.044 Uiso 1 1 calc R . . . .
C34 C 0.6523(3) 0.3712(11) 0.0588(3) 0.030(2) Uani 1 1 d . . . . .
H34A H 0.6778 0.3458 0.0787 0.036 Uiso 1 1 calc R . . . .
H34B H 0.6388 0.2825 0.0474 0.036 Uiso 1 1 calc R . . . .
C35 C 0.2597(3) 0.6787(11) 0.0593(3) 0.030(2) Uani 1 1 d . . . . .
H35A H 0.2512 0.7651 0.0718 0.036 Uiso 1 1 calc R . . . .
H35B H 0.2741 0.7087 0.0381 0.036 Uiso 1 1 calc R . . . .
C36 C 0.2209(3) 0.5959(12) 0.0402(3) 0.038(3) Uani 1 1 d . . . . .
H36A H 0.2053 0.5701 0.0608 0.045 Uiso 1 1 calc R . . . .
H36B H 0.2026 0.6546 0.0197 0.045 Uiso 1 1 calc R . . . .
C37 C 0.2334(3) 0.4639(11) 0.0210(3) 0.032(2) Uani 1 1 d . . . . .
H37A H 0.2481 0.4897 -0.0003 0.038 Uiso 1 1 calc R . . . .
H37B H 0.2082 0.4091 0.0087 0.038 Uiso 1 1 calc R . . . .
C38 C 0.2622(3) 0.3732(11) 0.0531(3) 0.029(2) Uani 1 1 d . . . . .
H38A H 0.2462 0.3408 0.0728 0.035 Uiso 1 1 calc R . . . .
H38B H 0.2708 0.2884 0.0400 0.035 Uiso 1 1 calc R . . . .
N1 N 0.6099(2) 0.6758(8) 0.1140(2) 0.0219(17) Uani 1 1 d . . . . .
N2 N 0.6113(2) 0.3655(8) 0.1132(2) 0.0231(17) Uani 1 1 d . . . . .
N3 N 0.3292(2) 0.6745(8) 0.1102(2) 0.0231(18) Uani 1 1 d . . . . .
N4 N 0.3271(2) 0.3647(8) 0.1074(2) 0.0197(17) Uani 1 1 d . . . . .
O1 O 0.4804(2) 0.5255(7) 0.1645(2) 0.0346(16) Uani 1 1 d . . . . .
O2 O 0.51898(19) 0.3338(7) 0.1823(2) 0.0314(16) Uani 1 1 d . . . . .
O3 O 0.4502(2) 0.3303(7) 0.1795(2) 0.0323(16) Uani 1 1 d . . . . .
O4 O 0.4378(2) 0.6942(8) 0.2815(2) 0.0381(18) Uani 1 1 d . . . . .
O5 O 0.4219(2) 0.6979(7) 0.2146(2) 0.0342(17) Uani 1 1 d . . . . .
O6 O 0.4135(2) 0.5017(7) 0.2479(2) 0.0395(18) Uani 1 1 d . . . . .
O11 O 0.5341(2) 0.7337(8) 0.1317(2) 0.0367(18) Uani 1 1 d . . . . .
O12 O 0.5220(4) 0.8980(18) 0.0872(5) 0.172(9) Uani 1 1 d . . . . .
O13 O 0.6435(2) 0.5975(8) 0.19113(19) 0.0346(17) Uani 1 1 d . . . . .
O14 O 0.6916(2) 0.7668(8) 0.1961(2) 0.0363(17) Uani 1 1 d . . . . .
O15 O 0.6109(2) 0.3005(8) 0.1913(2) 0.0357(17) Uani 1 1 d . . . . .
O16 O 0.6642(4) 0.1618(16) 0.1955(3) 0.133(6) Uani 1 1 d . . . . .
O17 O 0.5289(2) 0.4369(9) 0.0972(2) 0.0372(18) Uani 1 1 d . . . . .
O18 O 0.5139(2) 0.2671(9) 0.0509(2) 0.050(2) Uani 1 1 d . . . . .
O21 O 0.4127(2) 0.7338(7) 0.1275(2) 0.0324(17) Uani 1 1 d . . . . .
O22 O 0.4043(3) 0.9005(15) 0.0838(4) 0.143(6) Uani 1 1 d . U . . .
O23 O 0.3300(2) 0.5923(8) 0.18676(18) 0.0304(16) Uani 1 1 d . . . . .
O24 O 0.2849(2) 0.7634(8) 0.1926(2) 0.0346(17) Uani 1 1 d . . . . .
O25 O 0.3629(2) 0.2973(7) 0.18538(19) 0.0298(16) Uani 1 1 d . . . . .
O26 O 0.3110(3) 0.1580(12) 0.1904(3) 0.086(4) Uani 1 1 d . . . . .
O27 O 0.40235(19) 0.4399(8) 0.0928(2) 0.0340(17) Uani 1 1 d . . . . .
O28 O 0.3979(2) 0.2729(8) 0.0462(2) 0.0367(18) Uani 1 1 d . . . . .
O1W O 0.6066(7) -0.035(2) 0.2961(10) 0.274(16) Uani 1 1 d . . . . .
O2W O 0.2235(3) 0.4930(13) 0.1573(4) 0.104(4) Uani 1 1 d . . . . .
O5W O 0.5950(7) -0.0437(16) 0.2206(10) 0.272(16) Uani 1 1 d . . . . .
O6W O 0.3767(4) 0.0123(14) 0.0006(4) 0.109(4) Uani 1 1 d . . . . .
O7W O 0.2558(3) 0.6023(16) 0.2493(3) 0.118(6) Uani 1 1 d . . . . .
O8W O 0.4351(4) 1.0565(18) 0.1623(8) 0.224(12) Uani 1 1 d . . . . .
O9W O 0.5000 1.0202(14) 0.2500 0.063(3) Uani 1 2 d S T P . .
O10W O 0.4493(2) 0.4391(10) 0.0093(2) 0.050(2) Uani 1 1 d . . . . .
O11W O 0.4616(7) -0.007(2) -0.0146(6) 0.225(11) Uani 1 1 d . . . . .
O12W O 0.4397(12) 0.772(2) 0.0167(6) 0.35(2) Uani 1 1 d . . . . .
O13W O 0.5306(5) 1.0562(13) 0.1665(6) 0.175(8) Uani 1 1 d . . . . .
K4 K 0.45823(8) 0.0590(3) 0.06016(10) 0.0611(8) Uani 1 1 d . . . . .
K2 K 0.57169(9) 0.2184(3) 0.25168(7) 0.0487(7) Uani 1 1 d . . . . .
K3 K 0.46342(7) 0.6100(3) 0.07974(9) 0.0488(7) Uani 1 1 d . . . . .
K1 K 0.48505(8) 0.8102(3) 0.18337(9) 0.0531(7) Uani 1 1 d . . . . .
K5 K 0.31349(7) -0.0269(2) 0.24832(6) 0.0290(5) Uani 1 1 d . . . . .
K6 K 0.32256(9) 0.4205(3) 0.24720(7) 0.0499(7) Uani 1 1 d . . . . .
O14W O 0.7369(2) 0.4969(10) 0.1546(3) 0.068(3) Uani 1 1 d . . . . .


_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 C1 3.135(9) . ?
La1 C2 3.107(11) 2_655 ?
La1 N1 2.870(7) . ?
La1 N2 2.875(7) . ?
La1 O1 2.914(7) . ?
La1 O2 2.539(6) . ?
La1 O4 2.515(7) 2_655 ?
La1 O6 2.889(7) 2_655 ?
La1 O11 2.519(7) . ?
La1 O13 2.526(7) . ?
La1 O15 2.509(7) . ?
La1 O17 2.547(7) . ?
La2 C1 3.105(9) . ?
La2 C2 3.091(11) . ?
La2 N3 2.873(7) . ?
La2 N4 2.912(8) . ?
La2 O1 2.845(7) . ?
La2 O3 2.532(7) . ?
La2 O5 2.532(7) . ?
La2 O6 2.880(7) . ?
La2 O21 2.530(7) . ?
La2 O23 2.528(6) . ?
La2 O25 2.501(6) . ?
La2 O27 2.543(7) . ?
C1 O1 1.286(12) . ?
C1 O2 1.285(11) . ?
C1 O3 1.285(11) . ?
C2 La1 3.107(11) 2_655 ?
C2 O4 1.302(12) . ?
C2 O5 1.301(12) . ?
C2 O6 1.252(13) . ?
C11 C12 1.518(15) . ?
C11 N1 1.481(12) . ?
C12 O11 1.250(12) . ?
C12 O12 1.198(14) . ?
C12 K3 3.143(12) . ?
C13 C14 1.527(14) . ?
C13 N1 1.466(11) . ?
C14 O13 1.244(12) . ?
C14 O14 1.254(11) . ?
C14 K5 3.510(10) 2_665 ?
C15 C16 1.511(14) . ?
C15 N2 1.468(11) . ?
C16 O15 1.249(12) . ?
C16 O16 1.210(13) . ?
C16 K6 3.107(12) 2_655 ?
C17 C18 1.513(13) . ?
C17 N2 1.484(11) . ?
C18 O17 1.248(13) . ?
C18 O18 1.265(13) . ?
C19 C20 1.520(13) . ?
C19 C31 1.544(13) . ?
C19 N1 1.506(11) . ?
C20 C34 1.544(12) . ?
C20 N2 1.499(11) . ?
C21 C22 1.508(15) . ?
C21 N3 1.472(10) . ?
C22 O21 1.240(12) . ?
C22 O22 1.212(14) . ?
C22 K3 3.156(11) . ?
C23 C24 1.532(13) . ?
C23 N3 1.472(11) . ?
C24 O23 1.260(11) . ?
C24 O24 1.258(11) . ?
C25 C26 1.505(14) . ?
C25 N4 1.468(10) . ?
C26 O25 1.252(11) . ?
C26 O26 1.224(12) . ?
C26 K6 3.110(10) . ?
C27 C28 1.514(13) . ?
C27 N4 1.481(11) . ?
C28 O27 1.245(12) . ?
C28 O28 1.256(11) . ?
C29 C30 1.531(12) . ?
C29 C35 1.541(12) . ?
C29 N3 1.502(11) . ?
C30 C38 1.525(12) . ?
C30 N4 1.493(11) . ?
C31 C32 1.530(14) . ?
C32 C33 1.503(14) . ?
C33 C34 1.518(13) . ?
C35 C36 1.519(14) . ?
C36 C37 1.509(15) . ?
C37 C38 1.544(13) . ?
O1 K3 2.944(7) . ?
O1 K1 2.768(7) . ?
O2 K2 2.839(7) . ?
O3 K2 2.817(7) 2_655 ?
O4 La1 2.515(7) 2_655 ?
O4 K1 2.788(8) 2_655 ?
O5 K1 2.748(7) . ?
O6 La1 2.889(7) 2_655 ?
O6 K2 2.726(7) 2_655 ?
O6 K6 3.083(7) . ?
O11 K3 2.855(8) . ?
O11 K1 2.739(7) . ?
O12 K4 2.597(10) 1_565 ?
O12 K3 3.317(18) . ?
O13 K6 2.737(7) 2_655 ?
O14 K5 2.756(7) 2_665 ?
O15 K2 2.774(7) . ?
O15 K6 2.918(8) 2_655 ?
O16 K5 2.611(10) 2_655 ?
O16 K6 3.109(15) 2_655 ?
O17 K3 2.669(7) . ?
O18 K4 2.755(8) . ?
O21 K3 2.832(7) . ?
O21 K1 2.806(7) . ?
O22 K4 2.584(9) 1_565 ?
O22 K3 3.389(15) . ?
O23 K6 2.685(7) . ?
O24 K5 2.772(7) 1_565 ?
O25 K2 2.796(7) 2_655 ?
O25 K6 2.969(7) . ?
O26 K5 2.633(8) . ?
O26 K6 3.127(12) . ?
O27 K3 2.687(7) . ?
O28 K4 2.802(7) . ?
O1W K2 2.938(17) . ?
O1W K5 3.31(3) 2_655 ?
O5W K2 2.869(15) . ?
O5W K5 2.97(3) 2_655 ?
O6W K4 3.028(11) . ?
O7W K5 2.605(9) 4 ?
O7W K6 2.803(16) . ?
O8W K2 3.37(2) 2_665 ?
O8W K1 2.854(14) . ?
O9W K2 3.005(9) 1_565 ?
O9W K2 3.005(9) 2_665 ?
O9W K1 2.984(9) . ?
O9W K1 2.984(9) 2_655 ?
O10W K3 2.855(9) . ?
O11W K4 3.38(2) 5_655 ?
O11W K4 2.661(19) . ?
O12W K4 3.09(2) 1_565 ?
O12W K3 2.63(2) . ?
O13W K2 3.311(19) 1_565 ?
O13W K1 2.895(12) . ?
K4 O12 2.597(10) 1_545 ?
K4 O22 2.584(9) 1_545 ?
K4 O11W 3.38(2) 5_655 ?
K4 O12W 3.09(2) 1_545 ?
K4 K3 4.302(4) 1_545 ?
K4 K1 4.743(4) 1_545 ?
K2 La2 4.060(3) 2_655 ?
K2 O3 2.817(7) 2_655 ?
K2 O6 2.726(7) 2_655 ?
K2 O25 2.796(7) 2_655 ?
K2 O8W 3.37(2) 2_645 ?
K2 O9W 3.005(9) 1_545 ?
K2 O13W 3.311(19) 1_545 ?
K2 K6 3.962(4) 2_655 ?
K3 K1 3.948(4) . ?
K1 O4 2.788(8) 2_655 ?
K1 K1 4.453(6) 2_655 ?
K5 C14 3.511(10) 2_645 ?
K5 O14 2.756(7) 2_645 ?
K5 O16 2.611(10) 2_655 ?
K5 O24 2.772(7) 1_545 ?
K5 O1W 3.31(3) 2_655 ?
K5 O5W 2.97(3) 2_655 ?
K5 O7W 2.605(9) 4_545 ?
K5 K2 4.434(3) 2_655 ?
K5 K6 4.247(4) . ?
K5 K6 4.539(3) 4_545 ?
K6 C16 3.107(12) 2_655 ?
K6 O13 2.737(7) 2_655 ?
K6 O15 2.918(8) 2_655 ?
K6 O16 3.109(15) 2_655 ?
K6 K2 3.963(4) 2_655 ?

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
C2 La1 C1 84.1(3) 2_655 . ?
N1 La1 C1 144.2(2) . . ?
N1 La1 C2 117.6(2) . 2_655 ?
N1 La1 N2 61.5(2) . . ?
N1 La1 O1 125.1(2) . . ?
N1 La1 O6 130.0(2) . 2_655 ?
N2 La1 C1 117.0(2) . . ?
N2 La1 C2 145.3(3) . 2_655 ?
N2 La1 O1 128.4(2) . . ?
N2 La1 O6 127.0(2) . 2_655 ?
O1 La1 C1 24.2(2) . . ?
O1 La1 C2 82.3(2) . 2_655 ?
O2 La1 C1 23.3(2) . . ?
O2 La1 C2 86.3(2) . 2_655 ?
O2 La1 N1 155.3(2) . . ?
O2 La1 N2 103.0(2) . . ?
O2 La1 O1 47.47(19) . . ?
O2 La1 O6 74.5(2) . 2_655 ?
O2 La1 O17 76.7(2) . . ?
O4 La1 C1 86.5(2) 2_655 . ?
O4 La1 C2 23.9(3) 2_655 2_655 ?
O4 La1 N1 102.7(2) 2_655 . ?
O4 La1 N2 156.0(2) 2_655 . ?
O4 La1 O1 75.1(2) 2_655 . ?
O4 La1 O2 97.5(2) 2_655 . ?
O4 La1 O6 47.7(2) 2_655 2_655 ?
O4 La1 O11 71.4(2) 2_655 . ?
O4 La1 O13 77.4(2) 2_655 . ?
O4 La1 O17 138.5(2) 2_655 . ?
O6 La1 C1 81.5(2) 2_655 . ?
O6 La1 C2 23.7(2) 2_655 2_655 ?
O6 La1 O1 89.46(19) 2_655 . ?
O11 La1 C1 90.8(2) . . ?
O11 La1 C2 95.3(3) . 2_655 ?
O11 La1 N1 60.8(2) . . ?
O11 La1 N2 110.5(2) . . ?
O11 La1 O1 67.1(2) . . ?
O11 La1 O2 113.8(2) . . ?
O11 La1 O6 118.8(2) . 2_655 ?
O11 La1 O13 102.9(2) . . ?
O11 La1 O17 73.7(2) . . ?
O13 La1 C1 154.1(2) . . ?
O13 La1 C2 73.0(2) . 2_655 ?
O13 La1 N1 60.5(2) . . ?
O13 La1 N2 78.9(2) . . ?
O13 La1 O1 152.5(2) . . ?
O13 La1 O2 139.3(2) . . ?
O13 La1 O6 72.7(2) . 2_655 ?
O13 La1 O17 132.7(2) . . ?
O15 La1 C1 95.8(2) . . ?
O15 La1 C2 91.6(3) . 2_655 ?
O15 La1 N1 110.6(2) . . ?
O15 La1 N2 60.8(2) . . ?
O15 La1 O1 119.9(2) . . ?
O15 La1 O2 72.6(2) . . ?
O15 La1 O4 115.1(2) . 2_655 ?
O15 La1 O6 68.5(2) . 2_655 ?
O15 La1 O11 170.9(2) . . ?
O15 La1 O13 73.4(2) . . ?
O15 La1 O17 102.5(2) . . ?
O17 La1 C1 72.1(2) . . ?
O17 La1 C2 153.3(2) . 2_655 ?
O17 La1 N1 78.8(2) . . ?
O17 La1 N2 60.1(2) . . ?
O17 La1 O1 71.0(2) . . ?
O17 La1 O6 151.2(2) . 2_655 ?
C2 La2 C1 82.8(3) . . ?
N3 La2 C1 146.7(2) . . ?
N3 La2 C2 116.6(2) . . ?
N3 La2 N4 61.0(2) . . ?
N3 La2 O6 128.8(2) . . ?
N4 La2 C1 118.6(2) . . ?
N4 La2 C2 145.5(2) . . ?
O1 La2 C1 24.5(2) . . ?
O1 La2 C2 80.6(2) . . ?
O1 La2 N3 127.02(19) . . ?
O1 La2 N4 130.33(19) . . ?
O1 La2 O6 87.87(19) . . ?
O3 La2 C1 23.7(2) . . ?
O3 La2 C2 86.6(3) . . ?
O3 La2 N3 156.3(2) . . ?
O3 La2 N4 103.2(2) . . ?
O3 La2 O1 48.1(2) . . ?
O3 La2 O5 99.4(2) . . ?
O3 La2 O6 74.5(2) . . ?
O3 La2 O27 78.6(2) . . ?
O5 La2 C1 86.9(2) . . ?
O5 La2 C2 24.2(3) . . ?
O5 La2 N3 100.8(2) . . ?
O5 La2 N4 154.1(2) . . ?
O5 La2 O1 74.8(2) . . ?
O5 La2 O6 48.1(2) . . ?
O5 La2 O27 139.0(2) . . ?
O6 La2 C1 80.0(2) . . ?
O6 La2 C2 23.9(2) . . ?
O6 La2 N4 127.34(19) . . ?
O21 La2 C1 92.5(2) . . ?
O21 La2 C2 95.3(3) . . ?
O21 La2 N3 60.6(2) . . ?
O21 La2 N4 109.4(2) . . ?
O21 La2 O1 68.6(2) . . ?
O21 La2 O3 115.5(2) . . ?
O21 La2 O5 71.3(2) . . ?
O21 La2 O6 119.0(2) . . ?
O21 La2 O27 73.0(2) . . ?
O23 La2 C1 151.8(2) . . ?
O23 La2 C2 72.6(2) . . ?
O23 La2 N3 60.26(19) . . ?
O23 La2 N4 78.4(2) . . ?
O23 La2 O1 151.2(2) . . ?
O23 La2 O3 137.7(2) . . ?
O23 La2 O5 76.4(2) . . ?
O23 La2 O6 71.87(19) . . ?
O23 La2 O21 103.1(2) . . ?
O23 La2 O27 131.7(2) . . ?
O25 La2 C1 95.0(2) . . ?
O25 La2 C2 92.9(3) . . ?
O25 La2 N3 109.8(2) . . ?
O25 La2 N4 60.5(2) . . ?
O25 La2 O1 119.4(2) . . ?
O25 La2 O3 71.5(2) . . ?
O25 La2 O5 116.5(2) . . ?
O25 La2 O6 69.7(2) . . ?
O25 La2 O21 169.5(2) . . ?
O25 La2 O23 73.2(2) . . ?
O25 La2 O27 101.9(2) . . ?
O27 La2 C1 75.2(2) . . ?
O27 La2 C2 154.4(2) . . ?
O27 La2 N3 78.1(2) . . ?
O27 La2 N4 59.45(19) . . ?
O27 La2 O1 73.9(2) . . ?
O27 La2 O6 153.1(2) . . ?
La2 C1 La1 134.6(3) . . ?
O1 C1 La1 68.3(5) . . ?
O1 C1 La2 66.4(5) . . ?
O2 C1 La1 51.4(5) . . ?
O2 C1 La2 174.0(7) . . ?
O2 C1 O1 119.6(9) . . ?
O3 C1 La1 172.5(7) . . ?
O3 C1 La2 52.3(5) . . ?
O3 C1 O1 118.7(8) . . ?
O3 C1 O2 121.7(9) . . ?
La2 C2 La1 136.8(4) . 2_655 ?
O4 C2 La1 51.6(5) . 2_655 ?
O4 C2 La2 171.6(8) . . ?
O5 C2 La1 169.6(8) . 2_655 ?
O5 C2 La2 53.1(5) . . ?
O5 C2 O4 118.5(10) . . ?
O6 C2 La1 68.3(6) . 2_655 ?
O6 C2 La2 68.6(6) . . ?
O6 C2 O4 119.9(10) . . ?
O6 C2 O5 121.6(10) . . ?
N1 C11 C12 110.6(8) . . ?
C11 C12 K3 111.6(8) . . ?
O11 C12 C11 119.4(10) . . ?
O11 C12 K3 65.3(6) . . ?
O12 C12 C11 116.9(10) . . ?
O12 C12 O11 123.1(11) . . ?
O12 C12 K3 87.7(10) . . ?
N1 C13 C14 111.4(8) . . ?
C13 C14 K5 106.3(6) . 2_665 ?
O13 C14 C13 117.3(9) . . ?
O13 C14 O14 126.8(10) . . ?
O13 C14 K5 115.8(6) . 2_665 ?
O14 C14 C13 115.9(9) . . ?
O14 C14 K5 44.3(5) . 2_665 ?
N2 C15 C16 111.8(8) . . ?
C15 C16 K6 116.4(8) . 2_655 ?
O15 C16 C15 120.1(9) . . ?
O15 C16 K6 69.6(6) . 2_655 ?
O16 C16 C15 115.1(10) . . ?
O16 C16 O15 124.0(11) . . ?
O16 C16 K6 78.9(9) . 2_655 ?
N2 C17 C18 111.0(8) . . ?
O17 C18 C17 118.1(9) . . ?
O17 C18 O18 125.7(9) . . ?
O18 C18 C17 116.2(10) . . ?
C20 C19 C31 110.6(8) . . ?
N1 C19 C20 111.2(7) . . ?
N1 C19 C31 112.4(8) . . ?
C19 C20 C34 111.2(7) . . ?
N2 C20 C19 111.1(7) . . ?
N2 C20 C34 112.2(8) . . ?
N3 C21 C22 111.3(8) . . ?
C21 C22 K3 115.2(8) . . ?
O21 C22 C21 119.8(9) . . ?
O21 C22 K3 63.6(6) . . ?
O22 C22 C21 117.5(11) . . ?
O22 C22 O21 122.6(11) . . ?
O22 C22 K3 90.4(9) . . ?
N3 C23 C24 109.4(7) . . ?
O23 C24 C23 118.3(8) . . ?
O24 C24 C23 116.4(9) . . ?
O24 C24 O23 125.2(9) . . ?
N4 C25 C26 114.0(8) . . ?
C25 C26 K6 117.2(6) . . ?
O25 C26 C25 118.9(8) . . ?
O25 C26 K6 71.9(5) . . ?
O26 C26 C25 116.1(9) . . ?
O26 C26 O25 124.8(10) . . ?
O26 C26 K6 79.5(7) . . ?
N4 C27 C28 111.3(8) . . ?
O27 C28 C27 117.7(8) . . ?
O27 C28 O28 125.9(9) . . ?
O28 C28 C27 116.4(9) . . ?
C30 C29 C35 111.5(8) . . ?
N3 C29 C30 111.5(7) . . ?
N3 C29 C35 114.3(7) . . ?
C38 C30 C29 112.2(7) . . ?
N4 C30 C29 110.9(7) . . ?
N4 C30 C38 112.7(7) . . ?
C32 C31 C19 112.9(9) . . ?
C33 C32 C31 109.8(8) . . ?
C32 C33 C34 109.8(8) . . ?
C33 C34 C20 112.7(9) . . ?
C36 C35 C29 113.5(8) . . ?
C37 C36 C35 109.4(8) . . ?
C36 C37 C38 109.5(8) . . ?
C30 C38 C37 113.5(8) . . ?
C11 N1 La1 108.6(5) . . ?
C11 N1 C19 113.6(7) . . ?
C13 N1 La1 100.9(5) . . ?
C13 N1 C11 108.9(8) . . ?
C13 N1 C19 108.7(7) . . ?
C19 N1 La1 115.3(5) . . ?
C15 N2 La1 107.7(5) . . ?
C15 N2 C17 109.9(8) . . ?
C15 N2 C20 112.2(7) . . ?
C17 N2 La1 101.0(5) . . ?
C17 N2 C20 109.8(7) . . ?
C20 N2 La1 115.6(5) . . ?
C21 N3 La2 108.5(5) . . ?
C21 N3 C23 107.9(7) . . ?
C21 N3 C29 112.7(7) . . ?
C23 N3 La2 101.2(5) . . ?
C23 N3 C29 109.5(7) . . ?
C29 N3 La2 116.2(5) . . ?
C25 N4 La2 106.5(5) . . ?
C25 N4 C27 109.9(7) . . ?
C25 N4 C30 112.9(7) . . ?
C27 N4 La2 100.5(5) . . ?
C27 N4 C30 110.2(7) . . ?
C30 N4 La2 116.0(5) . . ?
La1 O1 K3 89.90(18) . . ?
La2 O1 La1 176.1(3) . . ?
La2 O1 K3 90.2(2) . . ?
C1 O1 La1 87.6(5) . . ?
C1 O1 La2 89.2(5) . . ?
C1 O1 K3 122.8(6) . . ?
C1 O1 K1 149.7(6) . . ?
K1 O1 La1 91.2(2) . . ?
K1 O1 La2 92.7(2) . . ?
K1 O1 K3 87.4(2) . . ?
La1 O2 K2 98.0(2) . . ?
C1 O2 La1 105.4(6) . . ?
C1 O2 K2 133.4(6) . . ?
La2 O3 K2 98.6(2) . 2_655 ?
C1 O3 La2 104.0(6) . . ?
C1 O3 K2 129.7(6) . 2_655 ?
La1 O4 K1 99.9(3) 2_655 2_655 ?
C2 O4 La1 104.4(6) . 2_655 ?
C2 O4 K1 132.5(6) . 2_655 ?
La2 O5 K1 100.5(2) . . ?
C2 O5 La2 102.7(7) . . ?
C2 O5 K1 129.0(6) . . ?
La1 O6 K6 89.71(19) 2_655 . ?
La2 O6 La1 174.5(3) . 2_655 ?
La2 O6 K6 89.8(2) . . ?
C2 O6 La1 87.9(6) . 2_655 ?
C2 O6 La2 87.6(6) . . ?
C2 O6 K2 153.3(6) . 2_655 ?
C2 O6 K6 120.9(6) . . ?
K2 O6 La1 92.7(2) 2_655 2_655 ?
K2 O6 La2 92.8(2) 2_655 . ?
K2 O6 K6 85.8(2) 2_655 . ?
La1 O11 K3 100.6(3) . . ?
La1 O11 K1 101.1(2) . . ?
C12 O11 La1 128.6(7) . . ?
C12 O11 K3 91.3(7) . . ?
C12 O11 K1 129.0(7) . . ?
K1 O11 K3 89.8(2) . . ?
C12 O12 K4 161.2(9) . 1_565 ?
C12 O12 K3 71.2(10) . . ?
K4 O12 K3 92.5(4) 1_565 . ?
La1 O13 K6 106.3(3) . 2_655 ?
C14 O13 La1 124.1(6) . . ?
C14 O13 K6 129.1(6) . 2_655 ?
C14 O14 K5 117.2(6) . 2_665 ?
La1 O15 K2 100.4(2) . . ?
La1 O15 K6 101.6(3) . 2_655 ?
C16 O15 La1 127.4(7) . . ?
C16 O15 K2 132.0(7) . . ?
C16 O15 K6 86.7(7) . 2_655 ?
K2 O15 K6 88.2(2) . 2_655 ?
C16 O16 K5 150.8(10) . 2_655 ?
C16 O16 K6 78.7(9) . 2_655 ?
K5 O16 K6 95.5(3) 2_655 2_655 ?
La1 O17 K3 105.0(3) . . ?
C18 O17 La1 123.3(6) . . ?
C18 O17 K3 131.1(6) . . ?
C18 O18 K4 122.8(6) . . ?
La2 O21 K3 99.6(2) . . ?
La2 O21 K1 99.0(2) . . ?
C22 O21 La2 128.2(7) . . ?
C22 O21 K3 93.3(7) . . ?
C22 O21 K1 131.4(7) . . ?
K1 O21 K3 88.91(19) . . ?
C22 O22 K4 157.6(9) . 1_565 ?
C22 O22 K3 68.6(9) . . ?
K4 O22 K3 91.1(4) 1_565 . ?
La2 O23 K6 107.7(2) . . ?
C24 O23 La2 123.0(5) . . ?
C24 O23 K6 128.6(5) . . ?
C24 O24 K5 119.0(6) . 1_565 ?
La2 O25 K2 100.0(2) . 2_655 ?
La2 O25 K6 100.4(2) . . ?
C26 O25 La2 128.7(6) . . ?
C26 O25 K2 131.4(6) . 2_655 ?
C26 O25 K6 84.5(5) . . ?
K2 O25 K6 86.79(19) 2_655 . ?
C26 O26 K5 151.3(8) . . ?
C26 O26 K6 77.9(7) . . ?
K5 O26 K6 94.6(3) . . ?
La2 O27 K3 103.2(3) . . ?
C28 O27 La2 124.3(6) . . ?
C28 O27 K3 131.1(6) . . ?
C28 O28 K4 120.0(6) . . ?
K2 O1W K5 90.2(7) . 2_655 ?
K2 O5W K5 98.8(7) . 2_655 ?
K5 O7W K6 114.1(5) 4 . ?
K1 O8W K2 107.1(7) . 2_665 ?
K2 O9W K2 102.7(4) 1_565 2_665 ?
K1 O9W K2 115.41(7) . 1_565 ?
K1 O9W K2 113.76(7) 2_655 1_565 ?
K1 O9W K2 113.76(7) . 2_665 ?
K1 O9W K2 115.41(7) 2_655 2_665 ?
K1 O9W K1 96.5(4) 2_655 . ?
K4 O11W K4 132.7(8) . 5_655 ?
K3 O12W K4 97.2(5) . 1_565 ?
K1 O13W K2 109.1(6) . 1_565 ?
O12 K4 O18 87.4(4) 1_545 . ?
O12 K4 O28 166.5(5) 1_545 . ?
O12 K4 O6W 133.1(5) 1_545 . ?
O12 K4 O11W 90.3(7) 1_545 . ?
O12 K4 O11W 55.1(5) 1_545 5_655 ?
O12 K4 O12W 73.5(7) 1_545 1_545 ?
O12 K4 K3 50.4(4) 1_545 1_545 ?
O12 K4 K1 53.9(2) 1_545 1_545 ?
O18 K4 O28 85.8(2) . . ?
O18 K4 O6W 122.8(3) . . ?
O18 K4 O11W 56.3(4) . 5_655 ?
O18 K4 O12W 129.7(7) . 1_545 ?
O18 K4 K3 136.0(2) . 1_545 ?
O18 K4 K1 117.22(18) . 1_545 ?
O22 K4 O12 96.0(4) 1_545 1_545 ?
O22 K4 O18 166.0(5) 1_545 . ?
O22 K4 O28 88.0(3) 1_545 . ?
O22 K4 O6W 63.8(4) 1_545 . ?
O22 K4 O11W 109.9(6) 1_545 . ?
O22 K4 O11W 135.9(5) 1_545 5_655 ?
O22 K4 O12W 64.1(8) 1_545 1_545 ?
O22 K4 K3 52.0(3) 1_545 1_545 ?
O22 K4 K1 56.0(2) 1_545 1_545 ?
O28 K4 O6W 60.0(3) . . ?
O28 K4 O11W 128.4(5) . 5_655 ?
O28 K4 O12W 119.6(6) . 1_545 ?
O28 K4 K3 138.03(17) . 1_545 ?
O28 K4 K1 119.92(16) . 1_545 ?
O6W K4 O11W 109.5(4) . 5_655 ?
O6W K4 O12W 59.6(6) . 1_545 ?
O6W K4 K3 87.7(3) . 1_545 ?
O6W K4 K1 119.5(3) . 1_545 ?
O11W K4 O18 83.7(5) . . ?
O11W K4 O28 100.5(6) . . ?
O11W K4 O6W 62.2(6) . . ?
O11W K4 O11W 47.3(8) . 5_655 ?
O11W K4 O12W 51.4(7) . 1_545 ?
O11W K4 K3 84.8(5) . 1_545 ?
O11W K4 K3 85.4(4) 5_655 1_545 ?
O11W K4 K1 134.4(6) . 1_545 ?
O11W K4 K1 108.9(4) 5_655 1_545 ?
O12W K4 O11W 75.1(8) 1_545 5_655 ?
O12W K4 K3 37.3(4) 1_545 1_545 ?
O12W K4 K1 88.3(4) 1_545 1_545 ?
K3 K4 K1 51.48(6) 1_545 1_545 ?
O2 K2 La2 111.66(16) . 2_655 ?
O2 K2 O1W 147.8(5) . . ?
O2 K2 O5W 100.7(7) . . ?
O2 K2 O8W 139.7(3) . 2_645 ?
O2 K2 O9W 83.69(19) . 1_545 ?
O2 K2 O13W 51.9(3) . 1_545 ?
O2 K2 K6 101.40(15) . 2_655 ?
O3 K2 La2 38.07(14) 2_655 2_655 ?
O3 K2 O2 109.6(2) 2_655 . ?
O3 K2 O1W 91.0(8) 2_655 . ?
O3 K2 O5W 140.7(6) 2_655 . ?
O3 K2 O8W 50.4(4) 2_655 2_645 ?
O3 K2 O9W 84.77(19) 2_655 1_545 ?
O3 K2 O13W 141.4(3) 2_655 1_545 ?
O3 K2 K6 101.16(16) 2_655 2_655 ?
O6 K2 La2 45.10(16) 2_655 2_655 ?
O6 K2 O2 72.7(2) 2_655 . ?
O6 K2 O3 72.7(2) 2_655 2_655 ?
O6 K2 O15 67.5(2) 2_655 . ?
O6 K2 O25 68.0(2) 2_655 2_655 ?
O6 K2 O1W 138.7(4) 2_655 . ?
O6 K2 O5W 142.3(4) 2_655 . ?
O6 K2 O8W 119.3(4) 2_655 2_645 ?
O6 K2 O9W 138.9(3) 2_655 1_545 ?
O6 K2 O13W 120.0(3) 2_655 1_545 ?
O6 K2 K6 50.88(15) 2_655 2_655 ?
O15 K2 La2 104.27(18) . 2_655 ?
O15 K2 O2 64.32(19) . . ?
O15 K2 O3 139.7(2) . 2_655 ?
O15 K2 O25 95.4(2) . 2_655 ?
O15 K2 O1W 114.9(7) . . ?
O15 K2 O5W 76.2(5) . . ?
O15 K2 O8W 155.2(3) . 2_645 ?
O15 K2 O9W 130.58(18) . 1_545 ?
O15 K2 O13W 69.0(3) . 1_545 ?
O15 K2 K6 47.39(16) . 2_655 ?
O25 K2 La2 37.34(14) 2_655 2_655 ?
O25 K2 O2 140.4(2) 2_655 . ?
O25 K2 O3 63.16(19) 2_655 2_655 ?
O25 K2 O1W 70.8(4) 2_655 . ?
O25 K2 O5W 107.1(7) 2_655 . ?
O25 K2 O8W 68.5(3) 2_655 2_645 ?
O25 K2 O9W 130.63(17) 2_655 1_545 ?
O25 K2 O13W 154.2(3) 2_655 1_545 ?
O25 K2 K6 48.42(14) 2_655 2_655 ?
O1W K2 La2 99.8(6) . 2_655 ?
O1W K2 O8W 43.0(8) . 2_645 ?
O1W K2 O9W 73.5(4) . 1_545 ?
O1W K2 O13W 96.6(7) . 1_545 ?
O1W K2 K6 98.4(4) . 2_655 ?
O5W K2 La2 144.3(7) . 2_655 ?
O5W K2 O1W 51.6(9) . . ?
O5W K2 O8W 90.3(7) . 2_645 ?
O5W K2 O9W 74.0(4) . 1_545 ?
O5W K2 O13W 50.5(7) . 1_545 ?
O5W K2 K6 96.7(4) . 2_655 ?
O8W K2 La2 74.9(4) 2_645 2_655 ?
O8W K2 K6 115.8(2) 2_645 2_655 ?
O9W K2 La2 122.82(13) 1_545 2_655 ?
O9W K2 O8W 62.1(2) 1_545 2_645 ?
O9W K2 O13W 61.6(2) 1_545 1_545 ?
O9W K2 K6 170.2(2) 1_545 2_655 ?
O13W K2 La2 163.6(3) 1_545 2_655 ?
O13W K2 O8W 117.8(4) 1_545 2_645 ?
O13W K2 K6 114.9(2) 1_545 2_655 ?
K6 K2 La2 63.31(6) 2_655 2_655 ?
C12 K3 C22 103.8(3) . . ?
C12 K3 O12 21.1(2) . . ?
C12 K3 O22 88.4(3) . . ?
C12 K3 K1 60.8(2) . . ?
C22 K3 O12 88.2(3) . . ?
C22 K3 O22 21.0(2) . . ?
C22 K3 K1 62.4(3) . . ?
O1 K3 C12 86.2(3) . . ?
O1 K3 C22 86.5(3) . . ?
O1 K3 O12 99.4(3) . . ?
O1 K3 O22 99.7(3) . . ?
O1 K3 K1 44.46(14) . . ?
O11 K3 C12 23.4(2) . . ?
O11 K3 C22 100.7(3) . . ?
O11 K3 O1 62.78(19) . . ?
O11 K3 O12 39.9(2) . . ?
O11 K3 O22 92.2(3) . . ?
O11 K3 O10W 136.0(2) . . ?
O11 K3 K1 43.93(14) . . ?
O12 K3 O22 70.0(2) . . ?
O12 K3 K1 63.1(3) . . ?
O17 K3 C12 73.3(3) . . ?
O17 K3 C22 155.4(3) . . ?
O17 K3 O1 69.0(2) . . ?
O17 K3 O11 66.6(2) . . ?
O17 K3 O12 93.4(2) . . ?
O17 K3 O21 132.3(2) . . ?
O17 K3 O22 158.7(3) . . ?
O17 K3 O27 101.0(2) . . ?
O17 K3 O10W 79.5(2) . . ?
O17 K3 K1 96.58(18) . . ?
O21 K3 C12 100.0(3) . . ?
O21 K3 C22 23.1(2) . . ?
O21 K3 O1 63.5(2) . . ?
O21 K3 O11 88.5(2) . . ?
O21 K3 O12 91.2(3) . . ?
O21 K3 O22 39.2(2) . . ?
O21 K3 O10W 135.5(2) . . ?
O21 K3 K1 45.28(15) . . ?
O22 K3 K1 64.3(3) . . ?
O27 K3 C12 156.1(3) . . ?
O27 K3 C22 71.5(3) . . ?
O27 K3 O1 70.3(2) . . ?
O27 K3 O11 132.8(2) . . ?
O27 K3 O12 157.4(3) . . ?
O27 K3 O21 66.2(2) . . ?
O27 K3 O22 91.3(2) . . ?
O27 K3 O10W 79.0(2) . . ?
O27 K3 K1 97.70(17) . . ?
O10W K3 C12 121.3(3) . . ?
O10W K3 C22 120.4(3) . . ?
O10W K3 O1 129.7(2) . . ?
O10W K3 O12 121.1(3) . . ?
O10W K3 O22 120.3(3) . . ?
O10W K3 K1 174.19(19) . . ?
O12W K3 C12 87.4(8) . . ?
O12W K3 C22 74.7(7) . . ?
O12W K3 O1 158.1(5) . . ?
O12W K3 O11 109.2(7) . . ?
O12W K3 O12 69.3(7) . . ?
O12W K3 O17 128.6(8) . . ?
O12W K3 O21 97.2(7) . . ?
O12W K3 O22 59.2(6) . . ?
O12W K3 O27 112.8(9) . . ?
O12W K3 O10W 70.9(5) . . ?
O12W K3 K1 114.9(4) . . ?
La1 K1 K1 98.37(7) . 2_655 ?
La2 K1 La1 90.25(6) . . ?
La2 K1 K1 100.17(6) . 2_655 ?
O1 K1 La1 45.83(14) . . ?
O1 K1 La2 44.42(14) . . ?
O1 K1 O4 73.5(2) . 2_655 ?
O1 K1 O21 66.1(2) . . ?
O1 K1 O8W 137.5(3) . . ?
O1 K1 O9W 144.9(3) . . ?
O1 K1 O13W 137.9(3) . . ?
O1 K1 K3 48.15(15) . . ?
O1 K1 K1 103.15(15) . 2_655 ?
O4 K1 La1 37.58(15) 2_655 . ?
O4 K1 La2 112.16(17) 2_655 . ?
O4 K1 O21 138.7(2) 2_655 . ?
O4 K1 O8W 148.4(3) 2_655 . ?
O4 K1 O9W 87.1(2) 2_655 . ?
O4 K1 O13W 86.6(4) 2_655 . ?
O4 K1 K3 99.66(17) 2_655 . ?
O4 K1 K1 65.18(16) 2_655 2_655 ?
O5 K1 La1 112.95(17) . . ?
O5 K1 La2 37.83(15) . . ?
O5 K1 O1 72.9(2) . . ?
O5 K1 O4 112.0(2) . 2_655 ?
O5 K1 O21 64.1(2) . . ?
O5 K1 O8W 88.4(5) . . ?
O5 K1 O9W 88.50(19) . . ?
O5 K1 O13W 149.0(3) . . ?
O5 K1 K3 99.16(17) . . ?
O5 K1 K1 67.63(16) . 2_655 ?
O11 K1 La1 37.48(14) . . ?
O11 K1 La2 102.62(18) . . ?
O11 K1 O1 66.5(2) . . ?
O11 K1 O4 64.2(2) . 2_655 ?
O11 K1 O5 138.6(2) . . ?
O11 K1 O21 91.4(2) . . ?
O11 K1 O8W 116.2(6) . . ?
O11 K1 O9W 130.34(19) . . ?
O11 K1 O13W 71.4(3) . . ?
O11 K1 K3 46.31(17) . . ?
O11 K1 K1 129.16(18) . 2_655 ?
O21 K1 La1 103.14(16) . . ?
O21 K1 La2 37.98(14) . . ?
O21 K1 O8W 71.4(3) . . ?
O21 K1 O9W 131.86(18) . . ?
O21 K1 O13W 118.1(5) . . ?
O21 K1 K3 45.81(15) . . ?
O21 K1 K1 131.62(16) . 2_655 ?
O8W K1 La1 153.7(6) . . ?
O8W K1 La2 98.8(3) . . ?
O8W K1 O9W 68.9(4) . . ?
O8W K1 O13W 65.6(5) . . ?
O8W K1 K3 100.6(4) . . ?
O8W K1 K1 104.2(5) . 2_655 ?
O9W K1 La1 124.39(13) . . ?
O9W K1 La2 126.19(12) . . ?
O9W K1 K3 166.9(2) . . ?
O9W K1 K1 41.8(2) . 2_655 ?
O13W K1 La1 97.0(3) . . ?
O13W K1 La2 156.1(4) . . ?
O13W K1 O9W 67.0(4) . . ?
O13W K1 K3 102.0(4) . . ?
O13W K1 K1 101.2(4) . 2_655 ?
K3 K1 La1 62.21(5) . . ?
K3 K1 La2 61.56(6) . . ?
K3 K1 K1 151.29(5) . 2_655 ?
C14 K5 K2 106.36(17) 2_645 2_655 ?
C14 K5 K6 135.61(18) 2_645 . ?
C14 K5 K6 90.52(16) 2_645 4_545 ?
O14 K5 C14 18.5(2) 2_645 2_645 ?
O14 K5 O24 84.6(2) 2_645 1_545 ?
O14 K5 O1W 118.2(5) 2_645 2_655 ?
O14 K5 O5W 85.6(4) 2_645 2_655 ?
O14 K5 K2 123.37(15) 2_645 2_655 ?
O14 K5 K6 72.02(15) 2_645 4_545 ?
O14 K5 K6 136.69(17) 2_645 . ?
O16 K5 C14 89.1(4) 2_655 2_645 ?
O16 K5 O14 91.5(3) 2_655 2_645 ?
O16 K5 O24 174.9(3) 2_655 1_545 ?
O16 K5 O26 93.3(4) 2_655 . ?
O16 K5 O1W 103.3(4) 2_655 2_655 ?
O16 K5 O5W 70.8(6) 2_655 2_655 ?
O16 K5 K2 62.5(2) 2_655 2_655 ?
O16 K5 K6 99.9(3) 2_655 4_545 ?
O16 K5 K6 46.8(3) 2_655 . ?
O24 K5 C14 88.1(2) 1_545 2_645 ?
O24 K5 O1W 81.5(3) 1_545 2_655 ?
O24 K5 O5W 112.0(5) 1_545 2_655 ?
O24 K5 K2 122.48(15) 1_545 2_655 ?
O24 K5 K6 136.23(17) 1_545 . ?
O24 K5 K6 75.81(14) 1_545 4_545 ?
O26 K5 C14 165.4(3) . 2_645 ?
O26 K5 O14 173.8(2) . 2_645 ?
O26 K5 O24 90.4(3) . 1_545 ?
O26 K5 O1W 64.4(5) . 2_655 ?
O26 K5 O5W 99.8(5) . 2_655 ?
O26 K5 K2 62.57(19) . 2_655 ?
O26 K5 K6 103.2(2) . 4_545 ?
O26 K5 K6 47.2(3) . . ?
O1W K5 C14 101.0(5) 2_655 2_645 ?
O1W K5 K2 41.5(3) 2_655 2_655 ?
O1W K5 K6 154.2(4) 2_655 4_545 ?
O1W K5 K6 87.4(4) 2_655 . ?
O5W K5 C14 67.5(4) 2_655 2_645 ?
O5W K5 O1W 47.1(6) 2_655 2_655 ?
O5W K5 K2 39.8(3) 2_655 2_655 ?
O5W K5 K6 89.4(3) 2_655 . ?
O5W K5 K6 155.7(5) 2_655 4_545 ?
O7W K5 C14 114.5(3) 4_545 2_645 ?
O7W K5 O14 97.3(3) 4_545 2_645 ?
O7W K5 O16 76.3(5) 4_545 2_655 ?
O7W K5 O24 100.9(3) 4_545 1_545 ?
O7W K5 O26 80.0(4) 4_545 . ?
O7W K5 O1W 144.4(5) 4_545 2_655 ?
O7W K5 O5W 147.1(6) 4_545 2_655 ?
O7W K5 K2 120.3(4) 4_545 2_655 ?
O7W K5 K6 66.1(4) 4_545 . ?
O7W K5 K6 34.3(4) 4_545 4_545 ?
K2 K5 K6 154.64(7) 2_655 4_545 ?
K6 K5 K2 54.27(6) . 2_655 ?
K6 K5 K6 100.45(7) . 4_545 ?
C16 K6 La2 120.3(2) 2_655 . ?
C16 K6 C26 108.1(3) 2_655 . ?
C16 K6 O16 22.4(3) 2_655 2_655 ?
C16 K6 O26 93.6(3) 2_655 . ?
C16 K6 K2 62.3(2) 2_655 2_655 ?
C26 K6 La2 53.24(18) . . ?
C26 K6 O26 22.6(2) . . ?
C26 K6 K2 62.6(2) . 2_655 ?
O6 K6 La2 43.14(14) . . ?
O6 K6 C16 84.7(3) . 2_655 ?
O6 K6 C26 85.0(2) . . ?
O6 K6 O16 100.9(3) . 2_655 ?
O6 K6 O26 101.0(2) . . ?
O6 K6 K2 43.31(14) . 2_655 ?
O13 K6 La2 102.16(15) 2_655 . ?
O13 K6 C16 70.3(3) 2_655 2_655 ?
O13 K6 C26 151.9(2) 2_655 . ?
O13 K6 O6 66.9(2) 2_655 . ?
O13 K6 O15 64.2(2) 2_655 2_655 ?
O13 K6 O16 91.1(2) 2_655 2_655 ?
O13 K6 O25 128.3(2) 2_655 . ?
O13 K6 O26 160.1(3) 2_655 . ?
O13 K6 O7W 78.2(2) 2_655 . ?
O13 K6 K2 94.45(16) 2_655 2_655 ?
O15 K6 La2 98.15(14) 2_655 . ?
O15 K6 C16 23.7(2) 2_655 2_655 ?
O15 K6 C26 102.5(3) 2_655 . ?
O15 K6 O6 61.12(19) 2_655 . ?
O15 K6 O16 42.1(2) 2_655 2_655 ?
O15 K6 O25 88.86(19) 2_655 . ?
O15 K6 O26 96.3(2) 2_655 . ?
O15 K6 K2 44.41(14) 2_655 2_655 ?
O16 K6 La2 125.6(3) 2_655 . ?
O16 K6 C26 94.0(3) 2_655 . ?
O16 K6 O26 75.4(2) 2_655 . ?
O16 K6 K2 67.1(3) 2_655 2_655 ?
O23 K6 La2 34.87(14) . . ?
O23 K6 C16 151.4(3) . 2_655 ?
O23 K6 C26 70.1(2) . . ?
O23 K6 O6 66.7(2) . . ?
O23 K6 O13 97.6(2) . 2_655 ?
O23 K6 O15 127.7(2) . 2_655 ?
O23 K6 O16 160.0(3) . 2_655 ?
O23 K6 O25 63.83(19) . . ?
O23 K6 O26 91.2(2) . . ?
O23 K6 O7W 81.4(3) . . ?
O23 K6 K2 94.18(15) . 2_655 ?
O25 K6 La2 35.74(13) . . ?
O25 K6 C16 102.6(3) . 2_655 ?
O25 K6 C26 23.6(2) . . ?
O25 K6 O6 61.37(19) . . ?
O25 K6 O16 96.7(3) . 2_655 ?
O25 K6 O26 42.1(2) . . ?
O25 K6 K2 44.79(13) . 2_655 ?
O26 K6 La2 75.40(15) . . ?
O26 K6 K2 67.1(2) . 2_655 ?
O7W K6 La2 116.2(2) . . ?
O7W K6 C16 119.3(3) . 2_655 ?
O7W K6 C26 122.6(3) . . ?
O7W K6 O6 127.6(3) . . ?
O7W K6 O15 133.6(2) . 2_655 ?
O7W K6 O16 118.1(3) . 2_655 ?
O7W K6 O25 137.1(2) . . ?
O7W K6 O26 120.9(3) . . ?
O7W K6 K2 170.8(2) . 2_655 ?
K2 K6 La2 59.48(5) 2_655 . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
La1 C1 O1 La2 177.9(3) . . . . ?
La1 C1 O1 K3 88.3(5) . . . . ?
La1 C1 O1 K1 -88.2(11) . . . . ?
La1 C1 O2 K2 117.3(8) . . . . ?
La1 C2 O4 K1 118.4(8) 2_655 . . 2_655 ?
La1 C2 O5 La2 -163(4) 2_655 . . . ?
La1 C2 O5 K1 82(4) 2_655 . . . ?
La1 C2 O6 La2 176.8(2) 2_655 . . . ?
La1 C2 O6 K2 -91.9(15) 2_655 . . 2_655 ?
La1 C2 O6 K6 88.4(5) 2_655 . . . ?
La2 C1 O1 La1 -177.9(3) . . . . ?
La2 C1 O1 K3 -89.6(5) . . . . ?
La2 C1 O1 K1 93.8(11) . . . . ?
La2 C1 O3 K2 -114.1(7) . . . 2_655 ?
La2 C2 O5 K1 -114.9(7) . . . . ?
La2 C2 O6 La1 -176.8(2) . . . 2_655 ?
La2 C2 O6 K2 91.4(15) . . . 2_655 ?
La2 C2 O6 K6 -88.3(5) . . . . ?
C11 C12 O11 La1 2.8(17) . . . . ?
C11 C12 O11 K3 -101.9(10) . . . . ?
C11 C12 O11 K1 167.3(7) . . . . ?
C11 C12 O12 K4 144(4) . . . 1_565 ?
C11 C12 O12 K3 113.2(12) . . . . ?
C12 C11 N1 La1 37.1(9) . . . . ?
C12 C11 N1 C13 -71.9(10) . . . . ?
C12 C11 N1 C19 166.8(8) . . . . ?
C13 C14 O13 La1 -12.8(11) . . . . ?
C13 C14 O13 K6 175.9(5) . . . 2_655 ?
C13 C14 O14 K5 87.1(8) . . . 2_665 ?
C14 C13 N1 La1 50.5(7) . . . . ?
C14 C13 N1 C11 164.6(7) . . . . ?
C14 C13 N1 C19 -71.2(9) . . . . ?
C15 C16 O15 La1 -7.3(16) . . . . ?
C15 C16 O15 K2 166.0(7) . . . . ?
C15 C16 O15 K6 -109.4(11) . . . 2_655 ?
C15 C16 O16 K5 -165.0(18) . . . 2_655 ?
C15 C16 O16 K6 114.1(11) . . . 2_655 ?
C16 C15 N2 La1 35.8(10) . . . . ?
C16 C15 N2 C17 -73.4(10) . . . . ?
C16 C15 N2 C20 164.1(9) . . . . ?
C17 C18 O17 La1 -15.0(11) . . . . ?
C17 C18 O17 K3 175.5(6) . . . . ?
C17 C18 O18 K4 88.9(9) . . . . ?
C18 C17 N2 La1 50.6(8) . . . . ?
C18 C17 N2 C15 164.2(8) . . . . ?
C18 C17 N2 C20 -71.9(9) . . . . ?
C19 C20 C34 C33 -54.3(11) . . . . ?
C19 C20 N2 La1 43.4(8) . . . . ?
C19 C20 N2 C15 -80.7(9) . . . . ?
C19 C20 N2 C17 156.8(7) . . . . ?
C19 C31 C32 C33 57.8(12) . . . . ?
C20 C19 C31 C32 -53.7(11) . . . . ?
C20 C19 N1 La1 44.1(9) . . . . ?
C20 C19 N1 C11 -82.1(9) . . . . ?
C20 C19 N1 C13 156.5(8) . . . . ?
C21 C22 O21 La2 0.4(16) . . . . ?
C21 C22 O21 K3 105.3(10) . . . . ?
C21 C22 O21 K1 -163.2(7) . . . . ?
C21 C22 O22 K4 -145(3) . . . 1_565 ?
C21 C22 O22 K3 -119.0(13) . . . . ?
C22 C21 N3 La2 -36.3(9) . . . . ?
C22 C21 N3 C23 72.6(10) . . . . ?
C22 C21 N3 C29 -166.4(8) . . . . ?
C23 C24 O23 La2 13.3(12) . . . . ?
C23 C24 O23 K6 -177.1(6) . . . . ?
C23 C24 O24 K5 -84.2(9) . . . 1_565 ?
C24 C23 N3 La2 -51.9(8) . . . . ?
C24 C23 N3 C21 -165.6(7) . . . . ?
C24 C23 N3 C29 71.4(9) . . . . ?
C25 C26 O25 La2 12.7(13) . . . . ?
C25 C26 O25 K2 -167.6(6) . . . 2_655 ?
C25 C26 O25 K6 111.6(8) . . . . ?
C25 C26 O26 K5 167.5(14) . . . . ?
C25 C26 O26 K6 -115.2(9) . . . . ?
C26 C25 N4 La2 -33.4(9) . . . . ?
C26 C25 N4 C27 74.6(10) . . . . ?
C26 C25 N4 C30 -161.8(8) . . . . ?
C27 C28 O27 La2 16.7(12) . . . . ?
C27 C28 O27 K3 -179.2(6) . . . . ?
C27 C28 O28 K4 -87.2(9) . . . . ?
C28 C27 N4 La2 -50.2(8) . . . . ?
C28 C27 N4 C25 -162.2(8) . . . . ?
C28 C27 N4 C30 72.6(9) . . . . ?
C29 C30 C38 C37 50.7(10) . . . . ?
C29 C30 N4 La2 -42.1(7) . . . . ?
C29 C30 N4 C25 81.2(9) . . . . ?
C29 C30 N4 C27 -155.4(7) . . . . ?
C29 C35 C36 C37 -58.6(10) . . . . ?
C30 C29 C35 C36 52.1(10) . . . . ?
C30 C29 N3 La2 -44.1(8) . . . . ?
C30 C29 N3 C21 81.9(9) . . . . ?
C30 C29 N3 C23 -158.0(7) . . . . ?
C31 C19 C20 C34 50.5(11) . . . . ?
C31 C19 C20 N2 176.3(7) . . . . ?
C31 C19 N1 La1 168.7(6) . . . . ?
C31 C19 N1 C11 42.5(10) . . . . ?
C31 C19 N1 C13 -78.9(9) . . . . ?
C31 C32 C33 C34 -58.6(12) . . . . ?
C32 C33 C34 C20 58.1(11) . . . . ?
C34 C20 N2 La1 168.5(6) . . . . ?
C34 C20 N2 C15 44.5(10) . . . . ?
C34 C20 N2 C17 -78.0(9) . . . . ?
C35 C29 C30 C38 -47.0(10) . . . . ?
C35 C29 C30 N4 -174.0(7) . . . . ?
C35 C29 N3 La2 -171.6(5) . . . . ?
C35 C29 N3 C21 -45.6(10) . . . . ?
C35 C29 N3 C23 74.5(9) . . . . ?
C35 C36 C37 C38 59.1(10) . . . . ?
C36 C37 C38 C30 -56.9(10) . . . . ?
C38 C30 N4 La2 -168.9(5) . . . . ?
C38 C30 N4 C25 -45.5(10) . . . . ?
C38 C30 N4 C27 77.8(9) . . . . ?
N1 C11 C12 O11 -30.2(15) . . . . ?
N1 C11 C12 O12 158.1(15) . . . . ?
N1 C11 C12 K3 -103.2(7) . . . . ?
N1 C13 C14 O13 -32.8(11) . . . . ?
N1 C13 C14 O14 149.3(8) . . . . ?
N1 C13 C14 K5 -164.1(5) . . . 2_665 ?
N1 C19 C20 C34 176.2(7) . . . . ?
N1 C19 C20 N2 -58.1(10) . . . . ?
N1 C19 C31 C32 -178.6(8) . . . . ?
N2 C15 C16 O15 -23.8(15) . . . . ?
N2 C15 C16 O16 165.8(13) . . . . ?
N2 C15 C16 K6 -104.5(8) . . . 2_655 ?
N2 C17 C18 O17 -31.2(12) . . . . ?
N2 C17 C18 O18 149.9(8) . . . . ?
N2 C20 C34 C33 -179.4(8) . . . . ?
N3 C21 C22 O21 27.9(15) . . . . ?
N3 C21 C22 O22 -154.6(14) . . . . ?
N3 C21 C22 K3 100.7(8) . . . . ?
N3 C23 C24 O23 33.2(12) . . . . ?
N3 C23 C24 O24 -149.8(8) . . . . ?
N3 C29 C30 C38 -176.0(7) . . . . ?
N3 C29 C30 N4 57.0(9) . . . . ?
N3 C29 C35 C36 179.6(7) . . . . ?
N4 C25 C26 O25 19.6(13) . . . . ?
N4 C25 C26 O26 -165.8(10) . . . . ?
N4 C25 C26 K6 102.9(7) . . . . ?
N4 C27 C28 O27 30.6(12) . . . . ?
N4 C27 C28 O28 -150.6(8) . . . . ?
N4 C30 C38 C37 176.8(7) . . . . ?
O1 C1 O2 La1 -1.6(10) . . . . ?
O1 C1 O2 K2 115.6(9) . . . . ?
O1 C1 O3 La2 -1.2(10) . . . . ?
O1 C1 O3 K2 -115.3(9) . . . 2_655 ?
O2 C1 O1 La1 1.4(9) . . . . ?
O2 C1 O1 La2 179.3(8) . . . . ?
O2 C1 O1 K3 89.7(10) . . . . ?
O2 C1 O1 K1 -86.8(13) . . . . ?
O2 C1 O3 La2 -179.4(8) . . . . ?
O2 C1 O3 K2 66.4(12) . . . 2_655 ?
O3 C1 O1 La1 -176.9(8) . . . . ?
O3 C1 O1 La2 1.0(9) . . . . ?
O3 C1 O1 K3 -88.6(9) . . . . ?
O3 C1 O1 K1 94.9(14) . . . . ?
O3 C1 O2 La1 176.6(8) . . . . ?
O3 C1 O2 K2 -66.1(13) . . . . ?
O4 C2 O5 La2 -179.5(7) . . . . ?
O4 C2 O5 K1 65.5(11) . . . . ?
O4 C2 O6 La1 2.8(9) . . . 2_655 ?
O4 C2 O6 La2 179.5(9) . . . . ?
O4 C2 O6 K2 -89.1(17) . . . 2_655 ?
O4 C2 O6 K6 91.2(10) . . . . ?
O5 C2 O4 La1 176.2(7) . . . 2_655 ?
O5 C2 O4 K1 -65.4(12) . . . 2_655 ?
O5 C2 O6 La1 -176.7(9) . . . 2_655 ?
O5 C2 O6 La2 0.1(9) . . . . ?
O5 C2 O6 K2 91.5(18) . . . 2_655 ?
O5 C2 O6 K6 -88.2(10) . . . . ?
O6 C2 O4 La1 -3.3(11) . . . 2_655 ?
O6 C2 O4 K1 115.1(9) . . . 2_655 ?
O6 C2 O5 La2 -0.1(11) . . . . ?
O6 C2 O5 K1 -115.1(10) . . . . ?
O11 C12 O12 K4 -27(6) . . . 1_565 ?
O11 C12 O12 K3 -58.2(14) . . . . ?
O12 C12 O11 La1 173.9(14) . . . . ?
O12 C12 O11 K3 69.2(18) . . . . ?
O12 C12 O11 K1 -22(2) . . . . ?
O13 C14 O14 K5 -90.7(11) . . . 2_665 ?
O14 C14 O13 La1 164.9(7) . . . . ?
O14 C14 O13 K6 -6.4(14) . . . 2_655 ?
O15 C16 O16 K5 25(4) . . . 2_655 ?
O15 C16 O16 K6 -55.9(14) . . . 2_655 ?
O16 C16 O15 La1 162.2(13) . . . . ?
O16 C16 O15 K2 -24(2) . . . . ?
O16 C16 O15 K6 60.1(16) . . . 2_655 ?
O17 C18 O18 K4 -89.9(11) . . . . ?
O18 C18 O17 La1 163.8(7) . . . . ?
O18 C18 O17 K3 -5.8(15) . . . . ?
O21 C22 O22 K4 32(5) . . . 1_565 ?
O21 C22 O22 K3 58.5(12) . . . . ?
O22 C22 O21 La2 -177.1(13) . . . . ?
O22 C22 O21 K3 -72.1(16) . . . . ?
O22 C22 O21 K1 19(2) . . . . ?
O23 C24 O24 K5 92.6(10) . . . 1_565 ?
O24 C24 O23 La2 -163.3(7) . . . . ?
O24 C24 O23 K6 6.2(14) . . . . ?
O25 C26 O26 K5 -18(3) . . . . ?
O25 C26 O26 K6 59.0(11) . . . . ?
O26 C26 O25 La2 -161.4(10) . . . . ?
O26 C26 O25 K2 18.3(17) . . . 2_655 ?
O26 C26 O25 K6 -62.5(12) . . . . ?
O27 C28 O28 K4 91.5(11) . . . . ?
O28 C28 O27 La2 -162.0(7) . . . . ?
O28 C28 O27 K3 2.1(16) . . . . ?
K3 C12 O11 La1 104.7(8) . . . . ?
K3 C12 O11 K1 -90.8(7) . . . . ?
K3 C12 O12 K4 31(5) . . . 1_565 ?
K3 C22 O21 La2 -105.0(7) . . . . ?
K3 C22 O21 K1 91.5(7) . . . . ?
K3 C22 O22 K4 -26(4) . . . 1_565 ?
K5 C14 O13 La1 114.1(6) 2_665 . . . ?
K5 C14 O13 K6 -57.3(8) 2_665 . . 2_655 ?
K6 C16 O15 La1 102.1(7) 2_655 . . . ?
K6 C16 O15 K2 -84.6(7) 2_655 . . . ?
K6 C16 O16 K5 81(2) 2_655 . . 2_655 ?
K6 C26 O25 La2 -98.9(6) . . . . ?
K6 C26 O25 K2 80.8(6) . . . 2_655 ?
K6 C26 O26 K5 -77.3(18) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
