# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C6.80 H6.80 La0.40 N3.20 O4.40'
_chemical_formula_weight         259.32

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -1.4094 9.0376 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.5804(4)
_cell_length_b                   9.7438(4)
_cell_length_c                   13.7155(5)
_cell_angle_alpha                97.264(3)
_cell_angle_beta                 92.617(3)
_cell_angle_gamma                115.428(4)
_cell_volume                     1139.86(8)
_cell_formula_units_Z            5
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    6416
_cell_measurement_theta_min      3.2660
_cell_measurement_theta_max      71.9767

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.889
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             640
_exptl_absorpt_coefficient_mu    15.189
_exptl_absorpt_correction_T_min  0.1101
_exptl_absorpt_correction_T_max  0.2428
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.5418
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'Micro-Focus (Cu) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'OXFORD DIFFRACTION SUPER NOVA'
_diffrn_measurement_method       ω/q-scan
_diffrn_detector_area_resol_mean 15.9948
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7607
_diffrn_reflns_av_R_equivalents  0.0159
_diffrn_reflns_av_sigmaI/netI    0.0180
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.27
_diffrn_reflns_theta_max         72.12
_reflns_number_total             4385
_reflns_number_gt                4369
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,'
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    Ortep3
_computing_publication_material  Shelx97

_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)+(0.0452P)²+0.6921P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    riding
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4385
_refine_ls_number_parameters     352
_refine_ls_number_restraints     5
_refine_ls_R_factor_all          0.0228
_refine_ls_R_factor_gt           0.0226
_refine_ls_wR_factor_ref         0.0614
_refine_ls_wR_factor_gt          0.0613
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
La1 La 0.714648(13) 0.347615(13) 0.154776(8) 0.01386(6) Uani 1 1 d . . .
O1 O 0.7650(2) 0.5205(3) 0.02461(15) 0.0300(4) Uani 1 1 d D . .
O2 O 0.7614(2) 0.1631(2) 0.02748(14) 0.0236(4) Uani 1 1 d D . .
O3 O 0.4596(2) 0.2248(2) 0.25023(14) 0.0222(4) Uani 1 1 d . . .
O4 O 0.4041(3) 0.0213(2) 0.31976(17) 0.0362(5) Uani 1 1 d . . .
O5 O 0.5806(2) 0.0836(2) 0.21831(14) 0.0219(4) Uani 1 1 d . . .
O6 O 0.4555(2) 0.3657(2) 0.06993(16) 0.0281(4) Uani 1 1 d . . .
O7 O 0.2649(2) 0.1730(3) -0.02253(17) 0.0364(5) Uani 1 1 d . . .
O8 O 0.4659(2) 0.1480(2) 0.03518(14) 0.0264(4) Uani 1 1 d . . .
O9 O 1.0047(2) 0.4527(2) 0.10082(13) 0.0218(4) Uani 1 1 d . . .
O10 O 1.2084(3) 0.6334(4) 0.19091(18) 0.0553(8) Uani 1 1 d . . .
O11 O 0.9772(2) 0.5847(2) 0.23090(14) 0.0276(4) Uani 1 1 d . . .
N1 N 0.8969(2) 0.2320(2) 0.24227(15) 0.0178(4) Uani 1 1 d . . .
N2 N 0.9528(2) 0.1503(2) 0.18294(15) 0.0194(4) Uani 1 1 d . . .
N3 N 0.9305(2) 0.1179(2) 0.37899(16) 0.0190(4) Uani 1 1 d . . .
N4 N 0.7745(2) 0.3914(2) 0.35554(15) 0.0156(4) Uani 1 1 d . . .
N5 N 0.6637(2) 0.5663(2) 0.26444(16) 0.0189(4) Uani 1 1 d . . .
N6 N 0.4786(2) 0.1077(2) 0.26390(16) 0.0199(4) Uani 1 1 d . . .
N7 N 0.3920(3) 0.2281(3) 0.02639(16) 0.0219(4) Uani 1 1 d . . .
N8 N 1.0681(3) 0.5604(3) 0.17476(16) 0.0258(5) Uani 1 1 d . . .
C1 C 0.9970(3) 0.0544(3) 0.21968(18) 0.0190(5) Uani 1 1 d . . .
C2 C 0.9839(3) 0.0363(3) 0.32088(18) 0.0179(5) Uani 1 1 d . . .
C3 C 0.8887(3) 0.2137(3) 0.33627(18) 0.0172(5) Uani 1 1 d . . .
C4 C 0.8301(3) 0.3079(3) 0.40013(17) 0.0169(5) Uani 1 1 d . . .
C5 C 0.8387(3) 0.3104(3) 0.50330(19) 0.0233(5) Uani 1 1 d . . .
H5 H 0.8753 0.2468 0.5323 0.028 Uiso 1 1 calc R . .
C6 C 0.7932(3) 0.4061(3) 0.56096(18) 0.0245(5) Uani 1 1 d . . .
H6 H 0.7964 0.4080 0.6305 0.029 Uiso 1 1 calc R . .
C7 C 0.7417(3) 0.5014(3) 0.51708(18) 0.0206(5) Uani 1 1 d . . .
C8 C 0.6991(3) 0.6089(3) 0.57384(19) 0.0250(6) Uani 1 1 d . . .
H8 H 0.7041 0.6160 0.6437 0.030 Uiso 1 1 calc R . .
C9 C 0.6521(3) 0.6997(3) 0.5296(2) 0.0255(6) Uani 1 1 d . . .
H9 H 0.6268 0.7715 0.5690 0.031 Uiso 1 1 calc R . .
C10 C 0.6396(3) 0.6902(3) 0.4236(2) 0.0218(5) Uani 1 1 d . . .
C11 C 0.5884(3) 0.7815(3) 0.3754(2) 0.0272(6) Uani 1 1 d . . .
H11 H 0.5629 0.8549 0.4127 0.033 Uiso 1 1 calc R . .
C12 C 0.5754(3) 0.7644(3) 0.2742(2) 0.0285(6) Uani 1 1 d . . .
H12 H 0.5407 0.8253 0.2403 0.034 Uiso 1 1 calc R . .
C13 C 0.6144(3) 0.6551(3) 0.2218(2) 0.0247(5) Uani 1 1 d . . .
H13 H 0.6051 0.6437 0.1516 0.030 Uiso 1 1 calc R . .
C14 C 0.6772(3) 0.5826(3) 0.36517(18) 0.0180(5) Uani 1 1 d . . .
C15 C 0.7322(3) 0.4885(3) 0.41267(18) 0.0172(5) Uani 1 1 d . . .
C16 C 1.0584(3) -0.0339(3) 0.1515(2) 0.0257(5) Uani 1 1 d . . .
H16A H 1.0688 0.0030 0.0877 0.038 Uiso 1 1 calc R . .
H16B H 0.9862 -0.1437 0.1415 0.038 Uiso 1 1 calc R . .
H16C H 1.1603 -0.0187 0.1806 0.038 Uiso 1 1 calc R . .
C17 C 1.0302(3) -0.0736(3) 0.3630(2) 0.0239(5) Uani 1 1 d . . .
H17A H 1.0015 -0.0803 0.4305 0.036 Uiso 1 1 calc R . .
H17B H 1.1430 -0.0373 0.3642 0.036 Uiso 1 1 calc R . .
H17C H 0.9768 -0.1755 0.3220 0.036 Uiso 1 1 calc R . .
H222 H 0.844(3) 0.539(4) -0.010(2) 0.036(9) Uiso 1 1 d D . .
H444 H 0.685(3) 0.071(3) 0.005(3) 0.044(11) Uiso 1 1 d D . .
H333 H 0.839(4) 0.144(5) 0.051(3) 0.063(14) Uiso 1 1 d D . .
H111 H 0.701(4) 0.550(5) -0.005(3) 0.051(12) Uiso 1 1 d 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 O1 2.530(2) . ?
La1 O2 2.5400(18) . ?
La1 O5 2.6185(18) . ?
La1 O11 2.6294(19) . ?
La1 O8 2.6474(19) . ?
La1 N5 2.681(2) . ?
La1 O9 2.6930(18) . ?
La1 O3 2.7008(18) . ?
La1 N4 2.728(2) . ?
La1 N1 2.757(2) . ?
La1 O6 2.778(2) . ?
O1 H222 0.883(19) . ?
O1 H111 0.886(19) . ?
O2 H444 0.883(19) . ?
O2 H333 0.896(14) . ?
O3 N6 1.265(3) . ?
O4 N6 1.225(3) . ?
O5 N6 1.271(3) . ?
O6 N7 1.261(3) . ?
O7 N7 1.222(3) . ?
O8 N7 1.271(3) . ?
O9 N8 1.275(3) . ?
O10 N8 1.214(3) . ?
O11 N8 1.265(3) . ?
N1 C3 1.325(3) . ?
N1 N2 1.351(3) . ?
N2 C1 1.321(3) . ?
N3 C2 1.325(3) . ?
N3 C3 1.346(3) . ?
N4 C4 1.337(3) . ?
N4 C15 1.358(3) . ?
N5 C13 1.330(3) . ?
N5 C14 1.364(3) . ?
C1 C2 1.426(3) . ?
C1 C16 1.497(3) . ?
C2 C17 1.490(3) . ?
C3 C4 1.487(3) . ?
C4 C5 1.410(3) . ?
C5 C6 1.371(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.406(4) . ?
C6 H6 0.9500 . ?
C7 C15 1.417(3) . ?
C7 C8 1.435(4) . ?
C8 C9 1.343(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.441(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.401(4) . ?
C10 C14 1.418(3) . ?
C11 C12 1.371(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.402(4) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C15 1.442(4) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?

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
O1 La1 O2 86.49(6) . . ?
O1 La1 O5 153.67(7) . . ?
O2 La1 O5 76.60(6) . . ?
O1 La1 O11 77.62(7) . . ?
O2 La1 O11 111.31(6) . . ?
O5 La1 O11 127.22(6) . . ?
O1 La1 O8 86.75(7) . . ?
O2 La1 O8 64.74(6) . . ?
O5 La1 O8 67.89(6) . . ?
O11 La1 O8 164.19(7) . . ?
O1 La1 N5 84.35(6) . . ?
O2 La1 N5 170.64(7) . . ?
O5 La1 N5 111.25(6) . . ?
O11 La1 N5 68.55(6) . . ?
O8 La1 N5 112.68(6) . . ?
O1 La1 O9 65.76(6) . . ?
O2 La1 O9 64.56(6) . . ?
O5 La1 O9 121.85(5) . . ?
O11 La1 O9 47.85(6) . . ?
O8 La1 O9 122.90(6) . . ?
N5 La1 O9 112.97(6) . . ?
O1 La1 O3 128.94(6) . . ?
O2 La1 O3 116.61(6) . . ?
O5 La1 O3 48.03(5) . . ?
O11 La1 O3 125.12(6) . . ?
O8 La1 O3 67.19(6) . . ?
N5 La1 O3 68.37(6) . . ?
O9 La1 O3 164.59(6) . . ?
O1 La1 N4 135.56(7) . . ?
O2 La1 N4 127.82(6) . . ?
O5 La1 N4 70.19(6) . . ?
O11 La1 N4 64.67(6) . . ?
O8 La1 N4 130.49(6) . . ?
N5 La1 N4 61.09(6) . . ?
O9 La1 N4 101.12(6) . . ?
O3 La1 N4 65.50(6) . . ?
O1 La1 N1 131.50(6) . . ?
O2 La1 N1 69.81(6) . . ?
O5 La1 N1 60.78(6) . . ?
O11 La1 N1 73.13(6) . . ?
O8 La1 N1 116.98(6) . . ?
N5 La1 N1 118.12(6) . . ?
O9 La1 N1 65.88(6) . . ?
O3 La1 N1 99.55(6) . . ?
N4 La1 N1 59.14(6) . . ?
O1 La1 O6 64.31(6) . . ?
O2 La1 O6 104.35(6) . . ?
O5 La1 O6 100.23(6) . . ?
O11 La1 O6 125.21(6) . . ?
O8 La1 O6 46.87(6) . . ?
N5 La1 O6 69.81(6) . . ?
O9 La1 O6 129.38(6) . . ?
O3 La1 O6 65.96(6) . . ?
N4 La1 O6 120.06(6) . . ?
N1 La1 O6 160.75(6) . . ?
La1 O1 H222 121(2) . . ?
La1 O1 H111 129(3) . . ?
H222 O1 H111 108(4) . . ?
La1 O2 H444 120(3) . . ?
La1 O2 H333 111(3) . . ?
H444 O2 H333 105(4) . . ?
N6 O3 La1 94.86(13) . . ?
N6 O5 La1 98.65(13) . . ?
N7 O6 La1 94.93(14) . . ?
N7 O8 La1 100.98(14) . . ?
N8 O9 La1 95.89(14) . . ?
N8 O11 La1 99.24(15) . . ?
C3 N1 N2 118.6(2) . . ?
C3 N1 La1 119.87(15) . . ?
N2 N1 La1 118.06(14) . . ?
C1 N2 N1 119.5(2) . . ?
C2 N3 C3 116.2(2) . . ?
C4 N4 C15 118.4(2) . . ?
C4 N4 La1 121.60(15) . . ?
C15 N4 La1 119.61(16) . . ?
C13 N5 C14 118.1(2) . . ?
C13 N5 La1 120.69(17) . . ?
C14 N5 La1 121.09(16) . . ?
O4 N6 O3 122.0(2) . . ?
O4 N6 O5 120.8(2) . . ?
O3 N6 O5 117.3(2) . . ?
O7 N7 O6 121.9(2) . . ?
O7 N7 O8 120.9(2) . . ?
O6 N7 O8 117.2(2) . . ?
O10 N8 O11 122.1(2) . . ?
O10 N8 O9 121.4(2) . . ?
O11 N8 O9 116.4(2) . . ?
N2 C1 C2 120.1(2) . . ?
N2 C1 C16 117.8(2) . . ?
C2 C1 C16 122.1(2) . . ?
N3 C2 C1 120.2(2) . . ?
N3 C2 C17 119.0(2) . . ?
C1 C2 C17 120.8(2) . . ?
N1 C3 N3 125.4(2) . . ?
N1 C3 C4 117.3(2) . . ?
N3 C3 C4 117.3(2) . . ?
N4 C4 C5 122.7(2) . . ?
N4 C4 C3 117.0(2) . . ?
C5 C4 C3 120.2(2) . . ?
C6 C5 C4 118.9(2) . . ?
C6 C5 H5 120.6 . . ?
C4 C5 H5 120.6 . . ?
C5 C6 C7 119.9(2) . . ?
C5 C6 H6 120.1 . . ?
C7 C6 H6 120.1 . . ?
C6 C7 C15 117.6(2) . . ?
C6 C7 C8 122.5(2) . . ?
C15 C7 C8 119.8(2) . . ?
C9 C8 C7 121.0(2) . . ?
C9 C8 H8 119.5 . . ?
C7 C8 H8 119.5 . . ?
C8 C9 C10 121.2(2) . . ?
C8 C9 H9 119.4 . . ?
C10 C9 H9 119.4 . . ?
C11 C10 C14 118.3(3) . . ?
C11 C10 C9 122.5(2) . . ?
C14 C10 C9 119.2(2) . . ?
C12 C11 C10 119.7(2) . . ?
C12 C11 H11 120.2 . . ?
C10 C11 H11 120.2 . . ?
C11 C12 C13 118.5(3) . . ?
C11 C12 H12 120.8 . . ?
C13 C12 H12 120.8 . . ?
N5 C13 C12 123.9(3) . . ?
N5 C13 H13 118.1 . . ?
C12 C13 H13 118.1 . . ?
N5 C14 C10 121.6(2) . . ?
N5 C14 C15 118.8(2) . . ?
C10 C14 C15 119.6(2) . . ?
N4 C15 C7 122.3(2) . . ?
N4 C15 C14 118.6(2) . . ?
C7 C15 C14 119.0(2) . . ?
C1 C16 H16A 109.5 . . ?
C1 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C1 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C2 C17 H17A 109.5 . . ?
C2 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C2 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?

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
O1 La1 O3 N6 151.58(13) . . . . ?
O2 La1 O3 N6 43.10(15) . . . . ?
O5 La1 O3 N6 6.18(12) . . . . ?
O11 La1 O3 N6 -105.04(14) . . . . ?
O8 La1 O3 N6 86.34(14) . . . . ?
N5 La1 O3 N6 -145.59(15) . . . . ?
O9 La1 O3 N6 -47.5(3) . . . . ?
N4 La1 O3 N6 -78.59(14) . . . . ?
N1 La1 O3 N6 -29.01(14) . . . . ?
O6 La1 O3 N6 137.69(15) . . . . ?
O1 La1 O5 N6 -101.26(17) . . . . ?
O2 La1 O5 N6 -152.70(15) . . . . ?
O11 La1 O5 N6 100.56(14) . . . . ?
O8 La1 O5 N6 -84.82(14) . . . . ?
N5 La1 O5 N6 21.95(15) . . . . ?
O9 La1 O5 N6 159.21(13) . . . . ?
O3 La1 O5 N6 -6.20(12) . . . . ?
N4 La1 O5 N6 68.21(14) . . . . ?
N1 La1 O5 N6 133.17(15) . . . . ?
O6 La1 O5 N6 -50.22(14) . . . . ?
O1 La1 O6 N7 112.59(16) . . . . ?
O2 La1 O6 N7 33.73(15) . . . . ?
O5 La1 O6 N7 -44.91(15) . . . . ?
O11 La1 O6 N7 163.49(13) . . . . ?
O8 La1 O6 N7 1.22(13) . . . . ?
N5 La1 O6 N7 -153.93(16) . . . . ?
O9 La1 O6 N7 102.41(15) . . . . ?
O3 La1 O6 N7 -79.36(14) . . . . ?
N4 La1 O6 N7 -117.84(14) . . . . ?
N1 La1 O6 N7 -35.9(3) . . . . ?
O1 La1 O8 N7 -58.42(15) . . . . ?
O2 La1 O8 N7 -146.07(17) . . . . ?
O5 La1 O8 N7 128.80(16) . . . . ?
O11 La1 O8 N7 -67.1(3) . . . . ?
N5 La1 O8 N7 24.08(17) . . . . ?
O9 La1 O8 N7 -116.65(14) . . . . ?
O3 La1 O8 N7 76.56(15) . . . . ?
N4 La1 O8 N7 94.67(16) . . . . ?
N1 La1 O8 N7 165.87(14) . . . . ?
O6 La1 O8 N7 -1.23(13) . . . . ?
O1 La1 O9 N8 99.73(15) . . . . ?
O2 La1 O9 N8 -162.23(16) . . . . ?
O5 La1 O9 N8 -108.94(15) . . . . ?
O11 La1 O9 N8 4.53(14) . . . . ?
O8 La1 O9 N8 168.29(13) . . . . ?
N5 La1 O9 N8 27.67(16) . . . . ?
O3 La1 O9 N8 -64.1(3) . . . . ?
N4 La1 O9 N8 -35.47(15) . . . . ?
N1 La1 O9 N8 -84.11(15) . . . . ?
O6 La1 O9 N8 109.79(15) . . . . ?
O1 La1 O11 N8 -72.99(16) . . . . ?
O2 La1 O11 N8 8.22(17) . . . . ?
O5 La1 O11 N8 97.29(16) . . . . ?
O8 La1 O11 N8 -64.1(3) . . . . ?
N5 La1 O11 N8 -161.73(17) . . . . ?
O9 La1 O11 N8 -4.60(14) . . . . ?
O3 La1 O11 N8 157.78(14) . . . . ?
N4 La1 O11 N8 131.14(17) . . . . ?
N1 La1 O11 N8 67.86(16) . . . . ?
O6 La1 O11 N8 -118.71(15) . . . . ?
O1 La1 N1 C3 145.32(17) . . . . ?
O2 La1 N1 C3 -149.04(19) . . . . ?
O5 La1 N1 C3 -63.47(17) . . . . ?
O11 La1 N1 C3 89.89(18) . . . . ?
O8 La1 N1 C3 -103.25(18) . . . . ?
N5 La1 N1 C3 36.4(2) . . . . ?
O9 La1 N1 C3 140.65(19) . . . . ?
O3 La1 N1 C3 -34.07(18) . . . . ?
N4 La1 N1 C3 19.74(16) . . . . ?
O6 La1 N1 C3 -73.6(3) . . . . ?
O1 La1 N1 N2 -55.9(2) . . . . ?
O2 La1 N1 N2 9.79(16) . . . . ?
O5 La1 N1 N2 95.35(17) . . . . ?
O11 La1 N1 N2 -111.28(17) . . . . ?
O8 La1 N1 N2 55.57(18) . . . . ?
N5 La1 N1 N2 -164.75(15) . . . . ?
O9 La1 N1 N2 -60.53(16) . . . . ?
O3 La1 N1 N2 124.76(16) . . . . ?
N4 La1 N1 N2 178.57(19) . . . . ?
O6 La1 N1 N2 85.2(2) . . . . ?
C3 N1 N2 C1 0.2(3) . . . . ?
La1 N1 N2 C1 -158.85(17) . . . . ?
O1 La1 N4 C4 -135.55(16) . . . . ?
O2 La1 N4 C4 -2.6(2) . . . . ?
O5 La1 N4 C4 51.10(17) . . . . ?
O11 La1 N4 C4 -100.77(18) . . . . ?
O8 La1 N4 C4 84.64(18) . . . . ?
N5 La1 N4 C4 -179.19(19) . . . . ?
O9 La1 N4 C4 -68.95(18) . . . . ?
O3 La1 N4 C4 103.00(18) . . . . ?
N1 La1 N4 C4 -16.00(16) . . . . ?
O6 La1 N4 C4 141.64(16) . . . . ?
O1 La1 N4 C15 51.43(19) . . . . ?
O2 La1 N4 C15 -175.66(15) . . . . ?
O5 La1 N4 C15 -121.92(17) . . . . ?
O11 La1 N4 C15 86.21(17) . . . . ?
O8 La1 N4 C15 -88.38(17) . . . . ?
N5 La1 N4 C15 7.79(15) . . . . ?
O9 La1 N4 C15 118.03(16) . . . . ?
O3 La1 N4 C15 -70.02(16) . . . . ?
N1 La1 N4 C15 170.98(18) . . . . ?
O6 La1 N4 C15 -31.38(18) . . . . ?
O1 La1 N5 C13 27.1(2) . . . . ?
O2 La1 N5 C13 15.1(5) . . . . ?
O5 La1 N5 C13 -131.01(19) . . . . ?
O11 La1 N5 C13 106.0(2) . . . . ?
O8 La1 N5 C13 -57.0(2) . . . . ?
O9 La1 N5 C13 87.8(2) . . . . ?
O3 La1 N5 C13 -108.8(2) . . . . ?
N4 La1 N5 C13 178.1(2) . . . . ?
N1 La1 N5 C13 161.70(18) . . . . ?
O6 La1 N5 C13 -37.57(19) . . . . ?
O1 La1 N5 C14 -157.43(18) . . . . ?
O2 La1 N5 C14 -169.5(3) . . . . ?
O5 La1 N5 C14 44.46(19) . . . . ?
O11 La1 N5 C14 -78.53(18) . . . . ?
O8 La1 N5 C14 118.49(17) . . . . ?
O9 La1 N5 C14 -96.77(17) . . . . ?
O3 La1 N5 C14 66.63(17) . . . . ?
N4 La1 N5 C14 -6.48(16) . . . . ?
N1 La1 N5 C14 -22.8(2) . . . . ?
O6 La1 N5 C14 137.90(19) . . . . ?
La1 O3 N6 O4 168.2(2) . . . . ?
La1 O3 N6 O5 -10.7(2) . . . . ?
La1 O5 N6 O4 -167.8(2) . . . . ?
La1 O5 N6 O3 11.1(2) . . . . ?
La1 O6 N7 O7 178.1(2) . . . . ?
La1 O6 N7 O8 -2.1(2) . . . . ?
La1 O8 N7 O7 -177.9(2) . . . . ?
La1 O8 N7 O6 2.2(2) . . . . ?
La1 O11 N8 O10 -170.7(3) . . . . ?
La1 O11 N8 O9 8.1(2) . . . . ?
La1 O9 N8 O10 171.0(3) . . . . ?
La1 O9 N8 O11 -7.8(2) . . . . ?
N1 N2 C1 C2 0.8(3) . . . . ?
N1 N2 C1 C16 -180.0(2) . . . . ?
C3 N3 C2 C1 1.1(3) . . . . ?
C3 N3 C2 C17 -179.2(2) . . . . ?
N2 C1 C2 N3 -1.5(4) . . . . ?
C16 C1 C2 N3 179.3(2) . . . . ?
N2 C1 C2 C17 178.8(2) . . . . ?
C16 C1 C2 C17 -0.5(4) . . . . ?
N2 N1 C3 N3 -0.6(4) . . . . ?
La1 N1 C3 N3 158.06(18) . . . . ?
N2 N1 C3 C4 178.6(2) . . . . ?
La1 N1 C3 C4 -22.6(3) . . . . ?
C2 N3 C3 N1 0.0(4) . . . . ?
C2 N3 C3 C4 -179.3(2) . . . . ?
C15 N4 C4 C5 3.5(3) . . . . ?
La1 N4 C4 C5 -169.57(18) . . . . ?
C15 N4 C4 C3 -174.6(2) . . . . ?
La1 N4 C4 C3 12.3(3) . . . . ?
N1 C3 C4 N4 7.0(3) . . . . ?
N3 C3 C4 N4 -173.6(2) . . . . ?
N1 C3 C4 C5 -171.1(2) . . . . ?
N3 C3 C4 C5 8.2(3) . . . . ?
N4 C4 C5 C6 -2.3(4) . . . . ?
C3 C4 C5 C6 175.8(2) . . . . ?
C4 C5 C6 C7 -1.1(4) . . . . ?
C5 C6 C7 C15 3.0(4) . . . . ?
C5 C6 C7 C8 -177.2(2) . . . . ?
C6 C7 C8 C9 179.2(2) . . . . ?
C15 C7 C8 C9 -1.0(4) . . . . ?
C7 C8 C9 C10 1.4(4) . . . . ?
C8 C9 C10 C11 178.9(2) . . . . ?
C8 C9 C10 C14 0.2(4) . . . . ?
C14 C10 C11 C12 0.3(4) . . . . ?
C9 C10 C11 C12 -178.4(2) . . . . ?
C10 C11 C12 C13 -0.1(4) . . . . ?
C14 N5 C13 C12 -0.1(4) . . . . ?
La1 N5 C13 C12 175.5(2) . . . . ?
C11 C12 C13 N5 0.0(4) . . . . ?
C13 N5 C14 C10 0.3(3) . . . . ?
La1 N5 C14 C10 -175.33(17) . . . . ?
C13 N5 C14 C15 -179.3(2) . . . . ?
La1 N5 C14 C15 5.1(3) . . . . ?
C11 C10 C14 N5 -0.4(4) . . . . ?
C9 C10 C14 N5 178.4(2) . . . . ?
C11 C10 C14 C15 179.2(2) . . . . ?
C9 C10 C14 C15 -2.1(3) . . . . ?
C4 N4 C15 C7 -1.4(3) . . . . ?
La1 N4 C15 C7 171.80(17) . . . . ?
C4 N4 C15 C14 177.9(2) . . . . ?
La1 N4 C15 C14 -8.9(3) . . . . ?
C6 C7 C15 N4 -1.8(3) . . . . ?
C8 C7 C15 N4 178.4(2) . . . . ?
C6 C7 C15 C14 178.9(2) . . . . ?
C8 C7 C15 C14 -0.9(3) . . . . ?
N5 C14 C15 N4 2.6(3) . . . . ?
C10 C14 C15 N4 -176.9(2) . . . . ?
N5 C14 C15 C7 -178.0(2) . . . . ?
C10 C14 C15 C7 2.4(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.978
_diffrn_reflns_theta_full        72.12
_diffrn_measured_fraction_theta_full 0.978
_refine_diff_density_max         1.046
_refine_diff_density_min         -1.185
_refine_diff_density_rms         0.088
_database_code_depnum_ccdc_archive 'CCDC 990946'
